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CONTRIBUTING.md

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Contributions are welcomed via pull requests on Bitbucket. First contact the Freud developers prior to beginning your work to ensure that your plans mesh well with the planned development direction and standards set for the project. Then implement your code.

Submit a pull request on bitbucket. Multiple developers and/or users will review requested changes and make comments. This The rest of this file will be used as a checklist to review the pull request. The lead developer will merge into the mainline after the review is complete and approved.

Features

Implement functionality in a general and flexible fashion

Freud provides a lot of flexibility to the user. Your pull request should provide something that is applicable to a variety of use-cases and not just the one thing you might need it to do for your research. Speak to the lead developers before writing your code, and they will help you make design choices that allow flexibility.

Do not degrade performance of existing code paths

New functionalities should only activate expensive code paths when they are requested by the user. Do not slow down existing code.

Add dependencies only if absolutely necessary

In order to make Freud as widely available as possible, we try to keep the number of dependencies to a minimum. If you need a feature present in an external library, follow the following steps:

  1. Add to Freud itself if it's simple or if other modules would benefit:
    • Example: Added simple tensor math for CubaticOrderParameter
  2. Add via submodule if the code exists externally
    • Example: fsph
  3. Contact Freud developers to inquire if the library you'd like as a dependency fits in with the overall design/goals of freud

Version control

Base your work off the correct branch

Bug fixes should be based on maint. New features should be based on master.

Propose a single set of related changes

Changes proposed in a single topic branch / pull request should all be related to each other. Don't propose too many changes at once, review becomes challenging. Multiple new features that are loosely coupled should be completed in separate topic branches. It is OK if the branch for feature2 is based on feature1 - as long as it is made clear that feature1 should be merged before the review of feature2. It is better to merge both feature1 and feature1 into a temporary integration branch during testing.

Keep changes to a minimum

Don't go and "fix" spelling errors all over the code, or make lots of whitespace changes along with a new feature. If there are spelling errors to fix, propose that in a separate pull request :)

Agree to the contributor agreement

All contributors must agree to the Contributor Agreement (ContributorAgreement.md) before their pull request can be merged.

Source code

Use a consistent style

It is important to have a consistent style throughout the source code. See SourceConventions.md for the defined style guidelines for Freud code.

Document code with comments

TODO?

Use doxygen header comments for classes, functions, etc... Also comment complex sections of code so that other developers can understand them.

Compiles without warnings

Your changes should compile without warnings.

Tests

Write unit tests

All new functionality in Freud should be tested with automatic unit tests that execute in a few seconds (if your specific test requires a long amount of time, please alert the Freud developers as to why this is required so that your test can be opted-out of for "regular" unit-testing). High level features should be tested from python, and the python tests should attempt to cover all options that the user can select.

Validity tests

In addition to the unit tests, the developer should run research-scale analysis using the new functionality and ensure that it behaves as intended.

User documentation

Write user documentation

User documentation for the user facing script commands should be documented with docstrings in napoleon format. Include examples on using new functionality.

Link new commands into the documentation index

The master command index needs a reference to new script commands so they are easy to find for users.

Document version status

Each user-facing python class, method, etc... with a docstring should have versionadded, versionchanged, and deprecated sphinx paragraphs so that users will be aware of how functionality changes from version to version (post-0.6).

Add developer to the credits

Developers need to be credited for their work. Update the credits documentation to reference what each developer contributed to the code.

Update ChangeLog.md

Add a short concise entry describing the change to the ChangeLog.md.