Quick Start#

Testing#

Modules functions tests are defined inside the functions docstring, and can be availed by running inside the /docs folder:

# materials_chempy/docs
make test

For running such tests, pytest needs to be installed.

Docstrings relative paths consider they are runned from the documentation folder.

Individual modules can be tested by parsing each function to pytest, for example:

Mass Spectrometry module

# /materials_chempy/docs
pytest --doctest-modules ../mass_spectrometry/functions.py

Client utils

# /materials_chempy/docs
pytest --doctest-modules ../utils.py