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API documentation updates #1845

Merged
merged 13 commits into from
Dec 12, 2019
Merged

API documentation updates #1845

merged 13 commits into from
Dec 12, 2019

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mliu49
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@mliu49 mliu49 commented Dec 10, 2019

Motivation or Problem

The API documentation is substantially out-of-sync with the current code structure. #1153 is definitely still relevant.

Description of Changes

This PR adds a bunch of un-documented modules to the API documentation and also fixes various issues with docstrings so that they can be displayed properly.

Testing

The documentation has been compiled to verify that the changes look correct.

To Do

This PR does not exhaustively update the API documentation, i.e. there are still portions of the code which are not included. While adding documentation pages is easy, some decision-making is required in choosing how to organize and format the documentation.

Here's a partial list of modules which are not documented:

  • arkane.common
  • arkane.explorer
  • arkane.util
  • rmgpy.kinetics.arrhenius.ArrheniusEP and ArrheniusBM
  • rmgpy.kinetics.surface
  • rmgpy.kinetics.uncertainties
  • rmgpy.statmech.ndTorsions
  • rmgpy.thermo.thermoengine
  • rmgpy.tools

I'm not sure how many of these could/should be documented before the release. Contributions from others would be necessary if we want them to be documented.

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codecov bot commented Dec 10, 2019

Codecov Report

Merging #1845 into master will increase coverage by <.01%.
The diff coverage is 100%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #1845      +/-   ##
==========================================
+ Coverage   44.22%   44.23%   +<.01%     
==========================================
  Files          83       83              
  Lines       21538    21539       +1     
  Branches     5645     5645              
==========================================
+ Hits         9526     9527       +1     
+ Misses      10956    10942      -14     
- Partials     1056     1070      +14
Impacted Files Coverage Δ
arkane/ess/orca.py 79.8% <ø> (ø) ⬆️
rmgpy/molecule/filtration.py 88.33% <ø> (ø) ⬆️
arkane/ess/log.py 92.3% <ø> (ø) ⬆️
rmgpy/solver/__init__.py 100% <100%> (ø) ⬆️
rmgpy/data/statmech.py 42.2% <0%> (ø) ⬆️
rmgpy/rmg/pdep.py 12.21% <0%> (ø) ⬆️
arkane/kinetics.py 12.14% <0%> (ø) ⬆️
rmgpy/data/kinetics/family.py 49.06% <0%> (ø) ⬆️
rmgpy/statmech/ndTorsions.py 59.78% <0%> (ø) ⬆️
rmgpy/yml.py 15.71% <0%> (ø) ⬆️
... and 2 more

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@alongd
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alongd commented Dec 11, 2019

Looking good!
Would we like to automate the API documentation build & deployment?

@mliu49
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mliu49 commented Dec 11, 2019

Build and deployment are automated as part of the overall documentation. Keeping it up to date is only partially automated due to how we have it set up currently.

Long term, it would definitely be advisable to refactor the API to be completely auto-generated (and completely dependent on docstrings), but it would take a bit of effort to do so.

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@amarkpayne amarkpayne left a comment

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I have looked over the last two commits and they look fine to me. Since Alon looked over the previous ones I think this PR can be merged. @mliu49 or @alongd the merge commit is yours if you want it

@mliu49 mliu49 merged commit 150aec0 into master Dec 12, 2019
@mliu49 mliu49 deleted the doc_updates branch December 12, 2019 18:19
This was referenced Dec 13, 2019
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3 participants