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Rewrite Jupyter Notebook examples as Python examples #1681
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I'm 👍 with removing ck2yaml_demo.ipynb, even though I had created it to document how the input files were created in the first place. Perhaps we can preserve some of this history with some annotations in the yaml
files we distribute? At the same time, I don't have strong opinions either way.
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #1681 +/- ##
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+ Coverage 72.76% 75.69% +2.93%
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Files 378 443 +65
Lines 56986 60975 +3989
Branches 20691 9551 -11140
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+ Hits 41468 46158 +4690
+ Misses 12463 11786 -677
+ Partials 3055 3031 -24 ☔ View full report in Codecov by Sentry. |
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Co-authored-by: Gandhali Kogekar <gkogekar@gmail.com> Co-authored-by: Bryan W. Weber <bryan.w.weber@gmail.com>
Co-authored-by: Steven DeCaluwe <steven.decaluwe@gmail.com>
Co-authored-by: Santosh Shanbhogue <santosh.shanbhogue@gmail.com>
Co-authored-by: Richard West <r.west@northeastern.edu>
Re-draw figure from Jupyter example as an SVG. Co-authored-by: Santosh Shanbhogue <santosh.shanbhogue@gmail.com>
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Co-authored-by: Gandhali Kogekar <gkogekar@gmail.com>
Brings in some updates based on nonideal_shock_tube.ipynb and batch_reactor_ignition_delay_NTC.ipynb. Co-authored-by: Santosh Shanbhogue <santosh.shanbhogue@gmail.com> Co-authored-by: Steven DeCaluwe <steven.decaluwe@gmail.com>
Co-authored-by: Sai Krishna <sirumalla.s@husky.neu.edu>
Co-authored-by: Santosh Shanbhogue <santosh.shanbhogue@gmail.com>
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Thanks for your work on this, @speth. Merging the notebooks back into samples is greatly appreciated!
Changes proposed in this pull request
1D_pfr_surfchem.ipynb
, It is almost wholly superseded by theFlowReactor
-based version (1D_pfr_surfchem.py
). The only exception is the "adiabatic" case, but this is problematic because the original reaction kinetics are only valid at a single temperature.batch_reactor_ignition_delay_NTC.ipynb
andnonideal_shock_tube.ipynb
are incorporated into the existingNonIdealShockTube.py
example.lithium_ion_battery.ipynb
was used to update the existinglithium_ion_battery.py
, mainly by including the extended model description.flame_speed_with_sensitivity_analysis.ipynb
was used to update the existingflamespeed_sensitivity.py
twin_premixed_flame_axisymmetric.ipynb
was used to update the existingpremixed_counterflow_twin_flame.py
.I'm not quite sure what to do with. Per @ischoegl's comment below, this example is not being migrated.ck2yaml_demo.ipynb
. Bringing this back into the main repository would bring back in a bunch of CK input data that we deliberately removed, and I'm not sure how useful it is in general compared to the ck2yaml tutorial already in the Users' Guide.For all the examples that included diagrams, I re-drew the PNGs in Adobe Illustrator and saved them as SVGs, to avoid having to commit these moderately large binary files into the repo, and because the vector versions just look nicer.
I've added co-author credit in the commit message for the original authors of the Jupyter examples.
Note that this already incorporates the fix to the 1D packed bed example from Cantera/cantera-jupyter#47.
If applicable, fill in the issue number this pull request is fixing
If applicable, provide an example illustrating new features this pull request is introducing
Checklist
scons build
&scons test
) and unit tests address code coverage