Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Fix combinations of concentration ranges for RMG SA #131

Open
wants to merge 7 commits into
base: main
Choose a base branch
from

Conversation

alongd
Copy link
Member

@alongd alongd commented May 30, 2023

Fixes the get_species_concentration_lists_from_ranged_params() method in RMGConstantTP(), adding tests for the different use cases.

temperature=(500.0, 'K'),
pressure=(1.0, 'bar'),
initialMoleFractions={
'FA': 4.0,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
Dictionary key 'FA' is subsequently
overwritten
.
initialMoleFractions={
'FA': 4.0,
'N2': 3.76,
'FA': 2.5,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
temperature=(500.0, 'K'),
pressure=(10.0, 'bar'),
initialMoleFractions={
'FA': 4.0,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
Dictionary key 'FA' is subsequently
overwritten
.
initialMoleFractions={
'FA': 4.0,
'N2': 3.76,
'FA': 2.5,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
temperature=(500.0, 'K'),
pressure=(100.0, 'bar'),
initialMoleFractions={
'FA': 4.0,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
Dictionary key 'FA' is subsequently
overwritten
.
initialMoleFractions={
'FA': 4.0,
'N2': 3.76,
'FA': 2.5,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
temperature=(2000.0, 'K'),
pressure=(10.0, 'bar'),
initialMoleFractions={
'FA': 4.0,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
Dictionary key 'FA' is subsequently
overwritten
.
initialMoleFractions={
'FA': 4.0,
'N2': 3.76,
'FA': 2.5,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
temperature=(2000.0, 'K'),
pressure=(100.0, 'bar'),
initialMoleFractions={
'FA': 4.0,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
Dictionary key 'FA' is subsequently
overwritten
.
initialMoleFractions={
'FA': 4.0,
'N2': 3.76,
'FA': 2.5,

Check warning

Code scanning / CodeQL

Duplicate key in dict literal Warning

Dictionary key 'FA' is subsequently
overwritten
.
@codecov-commenter
Copy link

Codecov Report

Attention: Patch coverage is 82.94931% with 74 lines in your changes are missing coverage. Please review.

Project coverage is 75.30%. Comparing base (2de3b76) to head (bcb7d2e).
Report is 101 commits behind head on main.

❗ Current head bcb7d2e differs from pull request most recent head d4e5bb5. Consider uploading reports for the commit d4e5bb5 to get more accurate results

Files Patch % Lines
t3/utils/flux.py 81.42% 52 Missing and 13 partials ⚠️
t3/utils/fix_cantera.py 90.66% 3 Missing and 4 partials ⚠️
t3/simulate/rmg_constantTP.py 75.00% 1 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #131      +/-   ##
==========================================
+ Coverage   73.46%   75.30%   +1.83%     
==========================================
  Files          22       24       +2     
  Lines        2891     3317     +426     
  Branches      762      854      +92     
==========================================
+ Hits         2124     2498     +374     
- Misses        552      586      +34     
- Partials      215      233      +18     
Flag Coverage Δ
unittests 75.30% <82.94%> (?)

Flags with carried forward coverage won't be shown. Click here to find out more.

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@alongd alongd marked this pull request as ready for review May 2, 2024 10:39
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

2 participants