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Added auto-completion for RMG thermo and kinetics libraries based on the chemistry set #160

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merged 9 commits into from
Nov 1, 2024

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alongd
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@alongd alongd commented Oct 31, 2024

RMG's libraries are an important asset, yet it takes an expert to know which library to use per application.
This contribution added a feature that allows users to request auto-completion for their libraries by just describing the application of their chemistry set: ['primary', 'nitrogen', 'sulfur', 'combustion', 'CH_pyrolysis']
The recommended libraries will be appended in addition to any user-supplied libraries (not adding duplicates)
Tests were added

t3/schema.py Show resolved Hide resolved
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codecov-commenter commented Oct 31, 2024

Codecov Report

Attention: Patch coverage is 72.72727% with 12 lines in your changes missing coverage. Please review.

Project coverage is 47.54%. Comparing base (2dbc42a) to head (20ac269).

Files with missing lines Patch % Lines
t3/schema.py 53.33% 7 Missing ⚠️
t3/main.py 80.76% 2 Missing and 3 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #160      +/-   ##
==========================================
+ Coverage   47.30%   47.54%   +0.23%     
==========================================
  Files          25       25              
  Lines        3420     3458      +38     
  Branches      922      934      +12     
==========================================
+ Hits         1618     1644      +26     
- Misses       1597     1606       +9     
- Partials      205      208       +3     
Flag Coverage Δ
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unittests 47.54% <72.72%> (+0.23%) ⬆️

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@alongd alongd force-pushed the rec_libs branch 3 times, most recently from 9cc8845 to b250429 Compare October 31, 2024 11:28
@alongd alongd merged commit 2d7c1ca into main Nov 1, 2024
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@alongd alongd deleted the rec_libs branch November 1, 2024 07:37
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3 participants