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Switch tests to use .loc for all delta_f_ comparisons #202

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dotsdl opened this issue Jun 30, 2022 · 2 comments · Fixed by #254
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Switch tests to use .loc for all delta_f_ comparisons #202

dotsdl opened this issue Jun 30, 2022 · 2 comments · Fixed by #254
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testing
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1.0.1

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@dotsdl
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dotsdl commented Jun 30, 2022

Consistent with how we instruct users in our docs, we should avoid using iloc and instead use .loc in our tests to specify which states to get free energy differences from.
@orbeckst orbeckst mentioned this issue Jul 6, 2022
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@orbeckst orbeckst added this to the 1.0.0 milestone Jul 26, 2022
@xiki-tempula xiki-tempula mentioned this issue Oct 16, 2022
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@orbeckst
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@xiki-tempula can we push this issue to a later milestone?

@xiki-tempula xiki-tempula modified the milestones: 1.0.0, 1.0.1 Oct 31, 2022
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@orbeckst I have pushed it to 1.0.1

orbeckst pushed a commit that referenced this issue Dec 6, 2022
@xiki-tempula
Clean up the iloc in the tests (#254)
380302d 
* fix #202 
* use `.loc` instead of `.iloc` in our tests where possible (as per our best practices)
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Clean up the iloc in the tests xiki-tempula/alchemlyb
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@orbeckst @dotsdl @xiki-tempula