Cantera Example Data Files

This repository provides data files used by various Cantera examples, which can be seen at https://cantera.org/stable/examples/python/index.html. In particular, many of the input files found here are based on scientific publications and are meant to demonstrate Cantera's capabilities with more realistic and interesting reaction systems than those based only on the basic mechanisms provided in the main Cantera repository.

Important

Licensing and Attribution Notice

The Cantera project is not the original author of the reaction mechanisms included in this repository and is not claiming to grant a license to them. The mechanisms were assembled by their respective researchers and appear to be shared without restrictive licensing requirements.

If you use this data in scientific publications, please cite the original papers associated with each mechanism. Suitable citations are usually included in the description field of each mechanism file.

Adding files for new examples

To implement an example requiring a new input file, make sure to have forked both Cantera/cantera and Cantera/cantera-example-data repositories. Steps outlined below must use the local Git checkouts of your personal forks.

Create example and input file(s)

• Create a new feature branch in your personal fork of the cantera repository.
• Create your new example in your local Git checkout of Cantera.
• In the data/example_data subdirectory (a Git submodule), configure your fork of cantera-example-data as a remote and create a feature branch for your input file(s).
• Create the new input file(s) in the data/example_data subdirectory.
• Verify that your example performs as expected locally.

Commit new files to your forks

• From within the data/example_data subdirectory, commit the input file(s) to your feature branch in your cantera-example-data repository.
• From the root folder, commit the example to your feature branch in your cantera repository.
  • ⚠️ Make sure you do not add the input file(s) or an update of the example_data submodule to this branch.

Create pull requests on GitHub

• Create a pull request for your example in the main Cantera/cantera repository.
  • You should see multiple failing jobs. For new Python examples, descriptions start with CI / Run Python 3.XX examples on ubuntu-YY.ZZ for tests with different Python and ubuntu versions. For examples using other Cantera APIs, multiple other CI jobs may fail.
• Create a pull request in the Cantera/cantera-example-data repository with the reference (Cantera/cantera#XYZ) in the title, where XYZ is the number of your PR in the main repository.
• Subsequent pushes to your feature branch on the main PR will result in the following:
  • The CI process in the main repository will automatically check out this submodule PR so the new input file is available for those jobs that run the examples.
  • You should see one failing job, with the description Linters / Check for unmerged example-data pull request (pull_request). This is a reminder for maintainers for the remaining steps that need to be completed before merging the PR.
• Once the PR review of the cantera-example-data branch is completed, it will be merged by maintainers.
• Finally, the PR branch for the main repository can be updated to include the update of the example_data submodule, which should be reset to the official Cantera cantera-example-data repository. At this point, all CI jobs should pass. Once the PR review is completed, the PR is ready to be merged.