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docs: working with individual results page #783

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merged 8 commits into from
Apr 5, 2024
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richardjgowers
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addresses #745

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codecov bot commented Mar 27, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 92.31%. Comparing base (855f356) to head (77c8ae2).

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- Hits         9193     9016     -177     
- Misses        574      751     +177     
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@hannahbaumann
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@richardjgowers : Are you also planning on talking about the additional metrics we're getting, like the overlap matrix, forward-backward analysis or the replica exchange plots? I started explaining some of that in the details of specific protocols section, but then wondered if it's better places here.

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@hannahbaumann not on this page/PR, but if you leave it as a todo on your PR I'll fill in the details for HREX

@richardjgowers richardjgowers changed the title [wip] docs: first pass at working with results page docs: first pass at working with results page Apr 2, 2024
reorder to mention command line results first as this is the easier route to follow
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Just a couple of final things and then I think it's good to go.

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this class takes care of the averaging and concatenation of different iterations of the estimation process.
This ``ProtocolResult`` class has ``.get_estimate()`` and ``.get_uncertainty()`` methods which return the estimates
of free energy difference along with its uncertainty.

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Outside of the showcase tutorial is the code of this demonstrated anywhere? Otherwise we should raise an issue to at least have a minimum code example demonstrating it?

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Raised #813

richardjgowers and others added 3 commits April 5, 2024 11:50
rename current working with results page to inside new toctree
@richardjgowers richardjgowers changed the title docs: first pass at working with results page docs: working with individual results page Apr 5, 2024
@richardjgowers richardjgowers requested a review from IAlibay April 5, 2024 13:31
@IAlibay IAlibay merged commit 775eced into main Apr 5, 2024
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@IAlibay IAlibay deleted the issue_745_results_docs branch April 5, 2024 14:15
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4 participants