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Build a rmgmolecule Subpackage in Place, fix rmg conda recipe, initial SimulatorInterface Efforts #2539

add requires_rms to pdep, thermo filtering, and process_new_rxns

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Build a rmgmolecule Subpackage in Place, fix rmg conda recipe, initial SimulatorInterface Efforts #2539

add requires_rms to pdep, thermo filtering, and process_new_rxns
7de8a3a
Select commit
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Failed to load commit list.
Codecov / codecov/project failed Feb 2, 2024 in 0s

54.64% (-0.65%) compared to 3b0b82f

View this Pull Request on Codecov

54.64% (-0.65%) compared to 3b0b82f

Details

Codecov Report

Attention: 34 lines in your changes are missing coverage. Please review.

Comparison is base (3b0b82f) 55.28% compared to head (7de8a3a) 54.64%.
Report is 56 commits behind head on main.

Files Patch % Lines
rmgpy/rmg/model.py 73.33% 16 Missing ⚠️
rmgpy/molecule/inchi.py 0.00% 4 Missing ⚠️
rmgpy/rmg/main.py 84.61% 4 Missing ⚠️
rmgpy/molecule/draw.py 57.14% 3 Missing ⚠️
rmgpy/rmg/reactionmechanismsimulator_reactors.py 75.00% 3 Missing ⚠️
rmgpy/molecule/fragment.py 50.00% 2 Missing ⚠️
rmgpy/rmg/input.py 33.33% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #2539      +/-   ##
==========================================
- Coverage   55.28%   54.64%   -0.65%     
==========================================
  Files         125      125              
  Lines       37171    37194      +23     
==========================================
- Hits        20550    20323     -227     
- Misses      16621    16871     +250     

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