UV-vis block

[be-smith]

Added a block for plotting UV-Vis data. Currently works on .Raw8.txt files from the grey group UV-Vis spectrometer. Requires two files minimum for plotting, a reference file and the sample file - but multiple samples can be plotted at the same time if more than two files are supplied.

Absorbance is calculated using the standard approach, where I0 is the reference intensity and I the sample intensity.
A = log(I0/I)

Included is a vue component for selecting and ordering multiple files - could be useful for other blocks (Like echem if files need to be stitched together)

Feedback on this component specifically would be nice - was a bit of a vibe coding session.

Example data not uploaded yet as waiting on permission from the owner.

[cypress]

datalab    Run #3239

Run Properties:   Passed #3239  •  56d9b230f3 ℹ️: Merge b53660790b3ae25b64e56a6d52ac035bfc694743 into c8b31c35dd40821fc3dfdbf12f98...

Project	datalab
Branch Review	bes/uv-vis-block
Run status	Passed #3239
Run duration	07m 53s
Commit	56d9b230f3 ℹ️: Merge b53660790b3ae25b64e56a6d52ac035bfc694743 into c8b31c35dd40821fc3dfdbf12f98...
Committer	Ben Smith
View all properties for this run ↗︎

---

Test results
Failures	0
Flaky	0
Pending	0
Skipped	0
Passing	501
View all changes introduced in this branch ↗︎

[codecov]

Codecov Report

Attention: Patch coverage is 57.33333% with 32 lines in your changes missing coverage. Please review.

Project coverage is 71.19%. Comparing base (c8b31c3) to head (b536607).
Report is 1 commits behind head on main.

Files with missing lines	Patch %	Lines
pydatalab/src/pydatalab/apps/uvvis/__init__.py	54.92%	32 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1133      +/-   ##
==========================================
- Coverage   71.45%   71.19%   -0.26%     
==========================================
  Files          63       64       +1     
  Lines        4162     4236      +74     
==========================================
+ Hits         2974     3016      +42     
- Misses       1188     1220      +32     

Files with missing lines	Coverage Δ
pydatalab/src/pydatalab/blocks/__init__.py	96.29% <100.00%> (+0.14%)	⬆️
pydatalab/src/pydatalab/bokeh_plots.py	81.81% <100.00%> (+0.15%)	⬆️
pydatalab/src/pydatalab/apps/uvvis/__init__.py	54.92% <54.92%> (ø)

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[ml-evs]

Some initial comments on the Python side, will try out the full block soon!

[be-smith]

So I have changed the extensions for the block to Raw8.txt

Dealing with multiple suffixes is a bit janky, the following seems to work but has to be called often in the code or in tests as far as I can tell to deal with upper and lower cases matching. This is robust for if there is only one extension like .txt - so could be the standard going forwards. Let me know if there is a better way of doing this!

ext = "".join(Path(file["location"]).suffixes).lower()
if ext not in {ext.lower() for ext in self.accepted_file_extensions}:
do something

[ml-evs]

This looks good from my side now, thanks @be-smith! I'm just going to ask that @BenjaminCharmes tries it out and reviews the JS multi-select more finely before we merge.

[BenjaminCharmes]

Can't remove this comment, wanted to approve!

[BenjaminCharmes]

LGTM, everything works very well 👌

Maybe just a comment on CSS: a few classes are useless because they are already bootstrap classes: .active, .disabled,:focus. It may be slightly different here (as in the case of :focus, which adds a blue border) But I'm not sure we want to add too much custom CSS to keep it uniform everywhere.