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feat: loading featurizer #459
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Thanks for this addition and sorry for the long delay in reviewing it! |
do you have a clue if the linting CI fails because of a version mismatch? In the longer term, we should migrate |
I believe linter fails then triggers tox to exit with failures. I am not sure why linting is only a problem here (and has not been caught previously with other PRs to main). On the elipses failure, looks like black reformats elipses on one line then the linter fails: PyCQA/flake8#1926 I added pass instead of elipses. |
Hi Kevin!
I added a featurizer that calculates uptake values based on RASPA.
It is heavily based on the Henry featurizer. I would very happy if someone could check over the RASPA simulation script in
loading.py
before this is pull request is accepted.The simulation script is based on an example in the RASPA2 repo.
FYI I received multiple fails in tox unrelated to this change. There were no issues using
pytest
ontest_henry.py
andtest_loading.py