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12 changes: 12 additions & 0 deletions AUTHORS.rst
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Authors
=======

Xiaohao Yang

Billinge Group members

Contributors
------------

For a list of contributors, visit
https://github.com/diffpy/diffpy.srxplanargui/graphs/contributors
5 changes: 5 additions & 0 deletions CHANGELOG.rst
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=============
Release notes
=============

.. current developments
133 changes: 133 additions & 0 deletions CODE-OF-CONDUCT.rst
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=====================================
Contributor Covenant Code of Conduct
=====================================

Our Pledge
----------

We as members, contributors, and leaders pledge to make participation in our
community a harassment-free experience for everyone, regardless of age, body
size, visible or invisible disability, ethnicity, sex characteristics, gender
identity and expression, level of experience, education, socioeconomic status,
nationality, personal appearance, race, caste, color, religion, or sexual
identity and orientation.

We pledge to act and interact in ways that contribute to an open, welcoming,
diverse, inclusive, and healthy community.

Our Standards
-------------

Examples of behavior that contributes to a positive environment for our
community include:

* Demonstrating empathy and kindness toward other people
* Being respectful of differing opinions, viewpoints, and experiences
* Giving and gracefully accepting constructive feedback
* Accepting responsibility and apologizing to those affected by our mistakes,
and learning from the experience
* Focusing on what is best not just for us as individuals, but for the overall
community

Examples of unacceptable behavior include:

* The use of sexualized language or imagery, and sexual attention or advances of
any kind
* Trolling, insulting or derogatory comments, and personal or political attacks
* Public or private harassment
* Publishing others' private information, such as a physical or email address,
without their explicit permission
* Other conduct which could reasonably be considered inappropriate in a
professional setting

Enforcement Responsibilities
----------------------------

Community leaders are responsible for clarifying and enforcing our standards of
acceptable behavior and will take appropriate and fair corrective action in
response to any behavior that they deem inappropriate, threatening, offensive,
or harmful.

Community leaders have the right and responsibility to remove, edit, or reject
comments, commits, code, wiki edits, issues, and other contributions that are
not aligned to this Code of Conduct, and will communicate reasons for moderation
decisions when appropriate.

Scope
-----

This Code of Conduct applies within all community spaces, and also applies when
an individual is officially representing the community in public spaces.
Examples of representing our community include using an official email address,
posting via an official social media account, or acting as an appointed
representative at an online or offline event.

Enforcement
-----------

Instances of abusive, harassing, or otherwise unacceptable behavior may be
reported to the community leaders responsible for enforcement at
sb2896@columbia.edu. All complaints will be reviewed and investigated promptly and fairly.

All community leaders are obligated to respect the privacy and security of the
reporter of any incident.

Enforcement Guidelines
----------------------

Community leaders will follow these Community Impact Guidelines in determining
the consequences for any action they deem in violation of this Code of Conduct:

1. Correction
****************

**Community Impact**: Use of inappropriate language or other behavior deemed
unprofessional or unwelcome in the community.

**Consequence**: A private, written warning from community leaders, providing
clarity around the nature of the violation and an explanation of why the
behavior was inappropriate. A public apology may be requested.

2. Warning
*************

**Community Impact**: A violation through a single incident or series of
actions.

**Consequence**: A warning with consequences for continued behavior. No
interaction with the people involved, including unsolicited interaction with
those enforcing the Code of Conduct, for a specified period of time. This
includes avoiding interactions in community spaces as well as external channels
like social media. Violating these terms may lead to a temporary or permanent
ban.

3. Temporary Ban
******************

**Community Impact**: A serious violation of community standards, including
sustained inappropriate behavior.

**Consequence**: A temporary ban from any sort of interaction or public
communication with the community for a specified period of time. No public or
private interaction with the people involved, including unsolicited interaction
with those enforcing the Code of Conduct, is allowed during this period.
Violating these terms may lead to a permanent ban.

4. Permanent Ban
******************

**Community Impact**: Demonstrating a pattern of violation of community
standards, including sustained inappropriate behavior, harassment of an
individual, or aggression toward or disparagement of classes of individuals.

**Consequence**: A permanent ban from any sort of public interaction within the
community.

Attribution
-----------

This Code of Conduct is adapted from the `Contributor Covenant <https://www.contributor-covenant.org/version/2/1/code_of_conduct.html>`_.

Community Impact Guidelines were inspired by `Mozilla's code of conduct enforcement ladder <https://github.com/mozilla/inclusion>`_.

For answers to common questions about this code of conduct, see the `FAQ <https://www.contributor-covenant.org/faq>`_. `Translations are available <https://www.contributor-covenant.org/translations>`_
11 changes: 11 additions & 0 deletions LICENSE.rst
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Copyright (c) 2009-2025, The Trustees of Columbia University in the City of New York.
All rights reserved.

Use of this software is subject to and permitted only under a separate,
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I think we just need this part, along with the copyright years being 2009-2025. I believe that the BSD license is used for open source projects, which doesn't apply here. We usually don't want to change the license of our packages. Since LICENSENOTICE.txt already exists, maybe just modify that file and change the copyright dates

written Use License granted by Columbia University. If you or your employer
is not a party to such an agreement, then your use of this software is
prohibited. If you don’t know whether or not your anticipated use is under
a license, you must contact Prof. Simon Billinge at sb2896@columbia.edu.
Use of this software without a license is prohibited.

For more information please email Prof. Simon Billinge at sb2896@columbia.edu
15 changes: 12 additions & 3 deletions MANIFEST.in
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recursive-include dpx *
prune doc
exclude MANIFEST.in
graft src
graft tests
graft requirements

include AUTHORS.rst LICENSE*.rst README.rst

# Exclude all bytecode files and __pycache__ directories
global-exclude *.py[cod] # Exclude all .pyc, .pyo, and .pyd files.
global-exclude .DS_Store # Exclude Mac filesystem artifacts.
global-exclude __pycache__ # Exclude Python cache directories.
global-exclude .git* # Exclude git files and directories.
global-exclude .idea # Exclude PyCharm project settings.
110 changes: 81 additions & 29 deletions README.rst
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dpx.srxplanargui
========================================================================
|Icon| |title|_
===============

.. |title| replace:: diffpy.srxplanargui
.. _title: https://diffpy.github.io/diffpy.srxplanargui

.. |Icon| image:: https://avatars.githubusercontent.com/diffpy
:target: https://diffpy.github.io/diffpy.srxplanargui
:height: 100px

|PythonVersion| |PR|

|Black| |Tracking|

.. |Black| image:: https://img.shields.io/badge/code_style-black-black
:target: https://github.com/psf/black

.. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.srxplanargui/branch/main/graph/badge.svg
:target: https://codecov.io/gh/diffpy/diffpy.srxplanargui

.. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
:target: https://github.com/diffpy/diffpy.srxplanargui/pulls

.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.srxplanargui
:target: https://pypi.org/project/diffpy.srxplanargui/

.. |PythonVersion| image:: https://img.shields.io/badge/python-3.11%20|%203.12%20|%203.13-blue

.. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
:target: https://github.com/diffpy/diffpy.srxplanargui/issues

xPDFsuite, a software for PDF transformation and visualization.

GUI for diffpy.srxplanar

REQUIREMENTS
------------------------------------------------------------------------
Citation
--------

If you use diffpy.srxplanargui in a scientific publication, we would like you to cite this package as
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I believe this should refer to the xpdfsuite paper written by Professor Simon


Yang, X., Juhas, P., Farrow, C. L., & Billinge, S. J. (2014).
xPDFsuite: an end-to-end software solution for high throughput pair distribution function transformation,
visualization and analysis. arXiv preprint arXiv:1402.3163.

Installation
------------
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Conda forge will not be how we install this package. This package will likely be installed with xpdfsuite or perhaps as a wheel file if we decide to do it that way. And of course, users can always install from sources

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So, since it would not be released on conda and pypi, we probably don't need the pypi installation instruction either?

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Yes


The preferred method is to be installed with `xpdfsuite` package or the wheel file.

This package also provides command-line utilities. To check the software has been installed correctly, type ::

diffpy.srxplanargui --version

You can also type the following command to verify the installation. ::

python -c "import diffpy.srxplanargui; print(diffpy.srxplanargui.__version__)"


To view the basic usage and available commands, type ::

diffpy.srxplanargui -h

The dpx.srxplanargui requires Python 2.7 and the following software:
Support
----------------------
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I don't think this package will be open source


* ``diffpy.srxplanar``
* ``dpx.confutils``
* ``numpy``
* ``scipy``
* ``traits``
* ``traitsui``
* ``chaco``
If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.srxplanargui/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.srxplanargui/pulls>`_.

The image integration (diffpy.srxplanargui) requires
Feel free to fork the project. To install diffpy.srxplanargui
in a development mode, with its sources being directly used by Python
rather than copied to a package directory, use the following in the root
directory ::

* ``fabio``
* ``pyfai``
* ``matplotlib``
pip install -e .

INSTALLATION
------------------------------------------------------------------------
To ensure code quality and to prevent accidental commits into the default branch, please set up the use of our pre-commit
hooks.

We are going to release conda package for all platform. For general user
please use the installation file and install software. For developor,
you can install dpx.srxplanargui using
1. Install pre-commit in your working environment by running ``conda install pre-commit``.

python setup.py install
2. Initialize pre-commit (one time only) ``pre-commit install``.

Note: the dependency is not specified in the setup.py. You need to install
them yourself. You can use Anaconda or other python enviroment.
Thereafter your code will be linted by black and isort and checked against flake8 before you can commit.
If it fails by black or isort, just rerun and it should pass (black and isort will modify the files so should
pass after they are modified). If the flake8 test fails please see the error messages and fix them manually before
trying to commit again.

Improvements and fixes are always appreciated.

CONTACTS
------------------------------------------------------------------------
Contact
-------

For more information on diffpy.Structure please visit the project web-page
For more information on diffpy.srxplanargui please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon Billinge at sb2896@columbia.edu.

http://www.diffpy.org/
Acknowledgements
----------------

or email Prof. Simon Billinge at sb2896@columbia.edu.
``diffpy.srxplanargui`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
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30 changes: 30 additions & 0 deletions docs/source/api/diffpy.srxplanargui.rst
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:tocdepth: -1

|title|
=======

.. |title| replace:: diffpy.srxplanargui package

.. automodule:: diffpy.srxplanargui
:members:
:undoc-members:
:show-inheritance:

Subpackages
-----------

.. toctree::
diffpy.srxplanargui.example_package

Submodules
----------

|module|
--------

.. |module| replace:: diffpy.srxplanargui.example_submodule module

.. automodule:: diffpy.srxplanargui.example_submodule
:members:
:undoc-members:
:show-inheritance:
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