perses
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General tests cleanup and increase coverage
While working on #1007 it was noted that there is code in the tests that never gets executed but they might be a good starting point for new and useful tests. We need to work on a cleanup of the tests and identify the parts of the code base that are not covered by tests.
For the PointMutationExecutor
check https://github.com/choderalab/perses/pull/1030#discussion_r900267666 . This can be accomplish by using pytest fixtures and avoiding redundant code and efforts. In general, we want that in many of our tests.
We can parametrize the different combinations in test_name
and use_point_energies
for run_unsampled_endstates_energies
in test_unsampled_endstate_energies_GPU
test.