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Fix failing GPU tests (due to incorrect unit for rest_radius) #1057

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merged 2 commits into from
Jun 24, 2022

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zhang-ivy
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Description

This PR removes the rest_radius argument from the PointMutationExecutor in two tests. Instead, we will just use the PointMutationExecutor default rest_radius.

Motivation and context

This PR fixes the failing GPU test_relative.py tests: test_unsampled_endstate_energies_GPU and test_RESTCapableHybridTopologyFactory_energies_GPU. The tests were failing because rest_radius=0.2 was being passed to the PointMutationExecutor, but in #1046, we changed rest_radius to be a unit-bearing quantity, so it really should be rest_radius=0.2 * unit.nanometer.

Resolves #???

How has this been tested?

Change log

Fixes bug in test_unsampled_endstate_energies_GPU and test_RESTCapableHybridTopologyFactory_energies_GPU -- removes unitless rest_radius argument and use default instead. 

@zhang-ivy zhang-ivy requested a review from ijpulidos June 24, 2022 17:37
@zhang-ivy zhang-ivy added this to the 0.10.1 - Bugfix release milestone Jun 24, 2022
@ijpulidos
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Just to note the reason why we need these changes. GPU CI tests were failing with AttributeError here and here, for example.

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codecov bot commented Jun 24, 2022

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 52.36%. Comparing base (0aeb4d4) to head (dba06c0).
Report is 60 commits behind head on main.

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LGTM!

@ijpulidos ijpulidos merged commit 6af4bfd into main Jun 24, 2022
@ijpulidos ijpulidos deleted the fix-rest-parameter branch June 24, 2022 18:02
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2 participants