Add black box tests - Githubissues

mec07 commented 5 years ago

This is probably the most important issue. PyLATO is missing basic automated validity tests.

Here are some ideas of some test cases (of course there are so many possibilities):

test cases that are already in PLATO
collinear tight binding calculations of two atoms
collinear tight binding calculations of an infinite line of atoms
collinear tight binding calculations of two atoms in PBCs
noncollinear tight binding calculation of two atoms (should be the same as the collinear)

My personal preference would be to use the python behave (https://behave.readthedocs.io/en/latest/) testing framework; however if someone else were to help with this, e.g. @horsfielda, then of course they could choose how to do this.

The .circleci/config.yml file should be updated to run these tests while calculating the coverage, then combine the coverage with the unit tests coverage and then push the combined coverage to codecov.io.

mec07 commented 5 years ago

Interestingly enough it looks like I started on this a long time ago, but never got very far. The branch where I started was: add_behave_tests. I've just converted it into a PR: https://github.com/mec07/PyLATO/pull/5

mec07 commented 5 years ago

I've merged PR #5 now. The next step is to just add a bunch of good tests. I'd really like to see the test coverage of PyLATO go above 75%.

mec07 / PyLATO

Add black box tests #4