Spline model

[newville]

Description

This adds a SplineModel(), which is slightly unusual in that it is variadic, with a variable number of parameters at x values determined by xknots.

Type of Changes

• Bug fix
• New feature
• Refactoring / maintenance
• Documentation / examples

Tested on

Python: 3.9.13 | packaged by conda-forge | (main, May 27 2022, 17:00:52)
[Clang 13.0.1 ]

lmfit: 1.0.3.post42+g6bea572.d20220830, scipy: 1.9.0, numpy: 1.23.2, asteval: 0.9.27, uncertainties: 3.1.7

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?

[codecov]

Codecov Report

Merging #804 (a56e0d0) into master (6bea572) will decrease coverage by 0.17%.
The diff coverage is 84.78%.

@@            Coverage Diff             @@
##           master     #804      +/-   ##
==========================================
- Coverage   93.80%   93.62%   -0.18%     
==========================================
  Files          10       10              
  Lines        3404     3546     +142     
==========================================
+ Hits         3193     3320     +127     
- Misses        211      226      +15     

Impacted Files	Coverage Δ
lmfit/models.py	91.07% <84.78%> (-0.53%)	⬇️
lmfit/model.py	90.95% <0.00%> (-0.13%)	⬇️
lmfit/lineshapes.py	100.00% <0.00%> (ø)

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[rayosborn]

Is there any reason not to add it to the lmfit_models list? Also, the docstring for SplineModel says the maximum number of knots is 100, whereas MAX_KNOTS is set to 300.

I wondered if there was a way to shoehorn valid_forms into the model, as was done with degree in PolynomialModel, but it's probably not possible, since xknots can have arbitrary values. That's not really a problem though.

[reneeotten]

thanks @newville this looks like a useful model to add! I notice there are some trivialities with the documentation and code-style; I know you are not a fan of these... so I am happy to fix those for you. I'll add a commit shortly and then take another look at the actual content!

[reneeotten]

are you sure this will render correctly indented Python code on the documentation website (here and in other places where you made similar whitespace changes) so that, for example, people can copy-and-paste code from the docs to their Python shell?

[newville]

not sure what is happening there... My editor seems to be putting tabs into rst files for indents. They do seem to render to HTML correctly

[newville]

@rayosborn Thanks -- added Spline to lmfit_models and uniformly set the maximum number of knots to 300.

[newville]

@reneeotten It appears to me that "codespell" cannot be used in a "warn only" mode. For lmfit/models.py it said that having a variable named mone was an error. I am not changing the code to satisfy a spell checker. I am not maintaining a list of words that codespell falsely identifies as misspellings of other words.

I get that spell-checking code is useful. It really cannot prevent merges and trying to fight against falsely identified problems is just of waste of our time.

[reneeotten]

@newville I've fixed the pre-commit issues already; if you're not actively working on it now; I'll push the changes shortly - okay?

[newville]

@reneeotten yep, go for it!

[reneeotten]

this commit should fix the last pre-commit failure... I'll take a closer look at the actual content later in the week

[newville]

@reneeotten OK, thanks!
I'm kind of reluctant to have to maintain lists of code variables that are falsely identified as misspellings. I would be very much in favor of a warning here.

[newville]

@reneeotten OK to (squash and) merge?

[reneeotten]

@reneeotten OK to (squash and) merge?

Yes, looks good to me!

[newville]

@reneeotten OK, merging this too.