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More chi2 reporting tweaks #856

Merged
merged 5 commits into from
Mar 30, 2023
Merged

More chi2 reporting tweaks #856

merged 5 commits into from
Mar 30, 2023

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newville
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Description

This builds on #852 and adds a fix and test for #855. And it adds an option for reporting correlations as a table. Yeah, a bit of a mess, not super focussed.

Type of Changes
  • Bug fix
  • New feature
  • Refactoring / maintenance
  • Documentation / examples

I think it meets all of these ;)

Tested on
Verification

Have you

  • included docstrings that follow PEP 257?
  • referenced existing Issue and/or provided relevant link to mailing list?
  • verified that existing tests pass locally?
  • verified that the documentation builds locally?
  • squashed/minimized your commits and written descriptive commit messages?
  • added or updated existing tests to cover the changes?
  • updated the documentation and/or added an entry to the release notes (doc/whatsnew.rst)?
  • added an example?

Have not yet added to whatsnew.rst.

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codecov bot commented Mar 26, 2023

Codecov Report

Merging #856 (d547580) into master (2a4f56d) will increase coverage by 0.02%.
The diff coverage is 94.64%.

@@            Coverage Diff             @@
##           master     #856      +/-   ##
==========================================
+ Coverage   93.50%   93.53%   +0.02%     
==========================================
  Files          10       10              
  Lines        3573     3602      +29     
==========================================
+ Hits         3341     3369      +28     
- Misses        232      233       +1     
Impacted Files Coverage Δ
lmfit/confidence.py 95.75% <90.47%> (-0.04%) ⬇️
lmfit/printfuncs.py 97.85% <96.96%> (-0.15%) ⬇️
lmfit/minimizer.py 91.08% <100.00%> (+<0.01%) ⬆️
lmfit/model.py 91.05% <100.00%> (ø)

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@@ -317,6 +318,33 @@ def test_ufloat():
assert_allclose(y.std_dev, 0.0, rtol=1.e-7)


def test_stderr_propagation():
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Thanks @newville!

@caldwellshane
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@newville Can you advise about when you'd expect to release this? I'm also awaiting the re-fix of #830 that is coming in #844.

Thanks again!

lmfit/confidence.py Outdated Show resolved Hide resolved
@reneeotten
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@newville looks good to me - I've left one comment and added a commit with suggested changes. If you agree, I will squash that commit with the relevant one you added. The documentation building fails in both PRs now; ust be something due to newer versions of dependencies - I will take a look at that tonight.

@newville
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@reneeotten Thanks, yes to squash-and-merge for this, maybe after #844 (as this might need to respond to those changes?).

And, yeah, not sure what's going wrong with building docs.

The only other thing on my wish list for 1.2 would be to have an optional replacement for emcee in a file outside of minimizer.py that could then allow us to deprecate the current use of emcee (say to be removed in version 1.4) in favor of code that we might be able to maintain. I've looked at that, but I think we should merge #844 and then this before attempting that (as it might also be sort of a large addition). But I would also be okay with leaving as it currently is, and making that deprecation process a goal for 1.3 (so, remove it in 1.5).

@newville
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@reneeotten tests fixed, I'm merging this and will work on a PR for 1.2.0rc1 with updated whatsnew.rst over the next few days.

@newville newville merged commit 97cf1f3 into master Mar 30, 2023
@reneeotten reneeotten deleted the more_chi2_reporting_tweaks branch April 18, 2023 01:09
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3 participants