Remove duplicate tests.

jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

http://propka.org

GNU Lesser General Public License v2.1

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Closed sobolevnrm closed 4 years ago

sobolevnrm commented 4 years ago

I'd like to remove the redundant tests--I think @orbeckst started this process.

@orbeckst and @speleo3 -- can you please take a look?

speleo3 commented 4 years ago

Are these tests really duplicates? python -m pytest runs one test and it passes. Running python runtest.py produces one failure:

RUNNING 1HPX-warn
 ERR:
 Failed to execute PROPKA on 1HPX-warn
 See: 1HPX-warn.out

propka31.py: error: unrecognized arguments: --quiet

sobolevnrm commented 4 years ago

@speleo3 is correct. To make it easier to add/extend tests, I'd like to upgrade PROPKA from unittest to pytest. Any concerns?