Currently, the code is only partially tested via doctests. However, tests are very important to ensure that the code is working as expected. Without full test suites we cannot leave the alpha state of development.
Implement consistency checks in your code that check at runtime whether the input and output of scripts, functions and other objects is sensible.
Tests are automatically run as GitHub Actions when pushing changes to the upstream repository. However, sometimes it is also useful to run them locally.
cd path/to/mdtools/docs/ make doctest
Note that you have to install the requirements in
docs/requirements-docs.txt to be able to run the above command
(see Building the Documentation).
We plan to use pytest to run unit tests. The tests can then be run via
cd path/to/mdtools/ python3 -m pytest .