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Add documentation for EnsembleMetrics #50

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@vmullig vmullig commented Feb 8, 2022

This PR will add documentation for EnsembleMetrics, which are introduced in RosettaCommons/main#5824.

  • RosettaCommons/main#5824 must be approved and ready to merge before this is merged.

  • Add to sidebars.

  • General description.

  • Examples of usage:

    • As simple accumulator with report at end.
    • Using a ParsedProtocol for sampling, with immediate report.
    • Using a MultiplePoseMover, with immediate report.
  • Note about MPI.

  • Note about named metrics.

  • Docs for CentralTendency ensemble metric.

    • Update auto-generated docs.
    • Note about interpretation of mode with floats.
  • Docs for EnsembleFilter.

    • Update auto-generated docs.

TODO:

  • Regenerate auto-generated docs following changes made to pull request RosettaCommons/main#5824 after review.

@vmullig vmullig self-assigned this Feb 8, 2022
@jadolfbr jadolfbr self-requested a review February 11, 2022 04:50
@jadolfbr
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Looks great Vikram! Very nice, extensive docs. Maybe when you merge, this could easily be a blog post.

@vmullig
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vmullig commented Feb 11, 2022

Maybe when you merge, this could easily be a blog post.

Sure!

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@jadolfbr jadolfbr left a comment

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Hey Vikram,
Not sure if you still plan on merging this, but the review definitely slipped by me.

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vmullig commented Jan 18, 2023

Thanks, @jadolfbr. This will be merged eventually, but it will be publicly released under a free and open source licence first. I also want to incorporate it into other software projects, and I can't do that if RosettaCommons has an exclusive licence.

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