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Reorganize Reaction Ensemble #4196

Merged
merged 3 commits into from
Apr 6, 2021
Merged

Reorganize Reaction Ensemble #4196

merged 3 commits into from
Apr 6, 2021

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jngrad
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@jngrad jngrad commented Apr 1, 2021

Fixes #4155

Description of changes:

  • move each class in the ReactionEnsemble into a separate source file
    • helps with separation of concerns and readability
    • Wang-Landau and its collective variables are in the same file due to coupling
  • rename the namespace ReactionEnsemble to ReactionMethods
  • move the classes and unit tests to subfolder src/core/reaction_methods

@jngrad jngrad added the Core label Apr 1, 2021
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Minor Comments

jngrad and others added 2 commits April 6, 2021 11:49
Co-authored-by: Jonas Landsgesell <jonaslandsgesell@users.noreply.github.com>
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Looks good to me!

@jngrad jngrad requested a review from KaiSzuttor April 6, 2021 10:48
@KaiSzuttor KaiSzuttor added the automerge Merge with kodiak label Apr 6, 2021
@kodiakhq kodiakhq bot merged commit f1f6b69 into espressomd:python Apr 6, 2021
@jngrad jngrad deleted the fix-4155 branch April 6, 2021 12:01
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Separation of concerns in Reaction Ensemble
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