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Allow users to use a shared RMG library between different T3 projects #153

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merged 9 commits into from
Jul 10, 2024

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@alongd alongd commented May 18, 2024

Added a new feature that allows users to use a single location for multiple T3 runs for saving RMG kinetics and thermo libraries. Tests added.

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Codecov Report

Attention: Patch coverage is 59.25926% with 55 lines in your changes missing coverage. Please review.

Project coverage is 47.40%. Comparing base (aef0265) to head (c43622e).

Files Patch % Lines
t3/utils/libraries.py 51.64% 35 Missing and 9 partials ⚠️
t3/schema.py 75.00% 3 Missing and 2 partials ⚠️
t3/main.py 80.95% 2 Missing and 2 partials ⚠️
t3/simulate/rmg_constantTP.py 33.33% 1 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #153      +/-   ##
==========================================
+ Coverage   47.00%   47.40%   +0.39%     
==========================================
  Files          24       25       +1     
  Lines        3340     3390      +50     
  Branches      896      912      +16     
==========================================
+ Hits         1570     1607      +37     
- Misses       1571     1580       +9     
- Partials      199      203       +4     
Flag Coverage Δ
unittests 47.40% <59.25%> (+0.39%) ⬆️

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@alongd alongd merged commit 6176491 into main Jul 10, 2024
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@alongd alongd deleted the shared_libraries branch July 10, 2024 09:33
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2 participants