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Improve tutorial tests #3058

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3 of 4 tasks
jngrad opened this issue Aug 6, 2019 · 1 comment · Fixed by #3408
Closed
3 of 4 tasks

Improve tutorial tests #3058

jngrad opened this issue Aug 6, 2019 · 1 comment · Fixed by #3408
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@jngrad
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jngrad commented Aug 6, 2019 •
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Some tutorial tests only execute the tutorials, without checking numerical results:
@jngrad jngrad added the Testcase label Aug 6, 2019
@jngrad jngrad added this to the Espresso 4.1 milestone Aug 6, 2019
@jonaslandsgesell
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01 lennard jones fluid: We could show the published result for the LJ rdf in the tutorial and use it in the test for the LJ tutorial:
https://www.sciencedirect.com/science/article/pii/S0301010404005452
However the number of fit parameters seem excessive to me. Maybe we can only check for the limiting behaviour lim r-> 0 g(r) =0, lim r-> infty g(r)=1.

@jonaslandsgesell jonaslandsgesell mentioned this issue Sep 27, 2019
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@jngrad jngrad removed this from the Espresso 4.1 milestone Sep 27, 2019
@jngrad jngrad self-assigned this Dec 31, 2019
@jngrad jngrad mentioned this issue Jan 8, 2020
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@kodiakhq kodiakhq bot closed this as completed in #3408 Jan 22, 2020
kodiakhq bot added a commit that referenced this issue Jan 22, 2020
@kodiakhq
Update tutorials and improve tutorial testing framework (#3408)
5705c67 
Description of changes:
- tutorial 05 raspberry electrophoresis (fixes #3058)
   - plot the final trajectory in a matplotlib 3D plot
   - add test to check the raspberry traveled a longer distance over the axis of the E-field
   - test the sample .dat file as well
- tutorial 01 Lennard-Jones (fixes #3185)
   - plot and test the experimental RDF against the theoretical RDF
- tutorial 04 LB Part 4 solution script
   - added the solution script in the HTML output and fixed its test
- use AST to process Jupyter notebooks containing matplotlib code (fixes #3215)
- fix CMake dependency resolution for tutorials
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Update tutorials and improve tutorial testing framework jngrad/espresso
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@KaiSzuttor @jonaslandsgesell @jngrad