Skip to content

Add Domain1D info to Python API#2008

Merged
ischoegl merged 3 commits intoCantera:mainfrom
ischoegl:fix-Domain1D-toArray
Oct 19, 2025
Merged

Add Domain1D info to Python API#2008
ischoegl merged 3 commits intoCantera:mainfrom
ischoegl:fix-Domain1D-toArray

Conversation

@ischoegl
Copy link
Copy Markdown
Member

@ischoegl ischoegl commented Oct 12, 2025 •
edited
Loading

Changes proposed in this pull request

Add a missing updateThermo call prior to export as SolutionArray. This ensures consistent thermodynamic states.

  • Fixes Flow1D::toArray
  • Add Domain1D.info to Python API (same as SolutionArray.info)

If applicable, fill in the issue number this pull request is fixing

Closes #2007

If applicable, provide an example illustrating new features this pull request is introducing

>>> import cantera as ct
>>> gas = ct.Solution("h2o2.yaml")
>>> gas.set_equivalence_ratio(1., "H2", "O2:0.21,N2:0.79")
>>> stack = ct.FreeFlame(gas)
>>> stack.flame.set_profile("T", [0, 0.3, 0.7, 1], [300, 300, 2000, 2000])
>>> stack.flame.set_profile("velocity", [0, 0.3, 0.7, 1], [.3, .3, .3 * 20/3, .3 * 20/3])
>>> stack.flame.info()
     grid velocity     T         D         H2    H    O        O2   OH  H2O  HO2 H2O2   AR        N2
0   0.000   0.3000   300  0.849553  0.0285116    0    0  0.226269    0    0    0    0    0  0.745220
1   0.020   0.3000   300  0.849553  0.0285116    0    0  0.226269    0    0    0    0    0  0.745220
2   0.040   0.7250   725  0.351539  0.0285116    0    0  0.226269    0    0    0    0    0  0.745220
3   0.060   1.5750  1575  0.161820  0.0285116    0    0  0.226269    0    0    0    0    0  0.745220
4   0.080   2.0000  2000  0.127433  0.0285116    0    0  0.226269    0    0    0    0    0  0.745220
5   0.100   2.0000  2000  0.127433  0.0285116    0    0  0.226269    0    0    0    0    0  0.745220

[6 rows x 14 components; state='TDY']
>>> stack.inlet.info()
      T         D         H2    H    O        O2   OH  H2O  HO2 H2O2   AR        N2
0   300  0.849553  0.0285116    0    0  0.226269    0    0    0    0    0  0.745220

[1 rows x 12 components; state='TDY']

Other thoughts

Inconsistent states are only present prior to the first call to Sim1D.solve; any subsequent output will be consistent as long as states are not overwritten. While SolutionArray with inconsistent states may have been saved in prior versions of Cantera, a re-import to Sim1D / Domain1D will still work correctly, as an inconsistent density D is ignored. The same is not true if an inconsistent SolutionArray is imported directly; in that case, states will be set using Solution.TDY with an incorrect pressure trace.

Checklist

  • The pull request includes a clear description of this code change
  • Commit messages have short titles and reference relevant issues
  • Build passes (scons build & scons test) and unit tests address code coverage
  • Style & formatting of contributed code follows contributing guidelines
  • The pull request is ready for review

@ischoegl ischoegl force-pushed the fix-Domain1D-toArray branch from 83056dc to 6695071 Compare October 12, 2025 22:31
@codecov
Copy link
Copy Markdown

codecov bot commented Oct 12, 2025 •
edited
Loading

Codecov Report

❌ Patch coverage is 45.45455% with 18 lines in your changes missing coverage. Please review.
✅ Project coverage is 75.22%. Comparing base (a6a341e) to head (330ba12).
⚠️ Report is 27 commits behind head on main.

Files with missing lines Patch % Lines
interfaces/cython/cantera/_onedim.pyx 21.42% 11 Missing ⚠️
interfaces/cython/cantera/solutionbase.pyx 71.42% 2 Missing ⚠️
src/oneD/Boundary1D.cpp 71.42% 2 Missing ⚠️
src/oneD/Domain1D.cpp 0.00% 2 Missing ⚠️
include/cantera/oneD/Domain1D.h 0.00% 1 Missing ⚠️
Additional details and impacted files 
@@            Coverage Diff             @@
##             main    #2008      +/-   ##
==========================================
- Coverage   75.24%   75.22%   -0.02%     
==========================================
  Files         454      454              
  Lines       56756    56776      +20     
  Branches     9373     9373              
==========================================
+ Hits        42704    42710       +6     
- Misses      10873    10887      +14     
  Partials     3179     3179

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

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@ischoegl ischoegl marked this pull request as ready for review October 13, 2025 00:40
@ischoegl ischoegl requested a review from a team October 13, 2025 00:40
speth
speth reviewed Oct 13, 2025
View reviewed changes
@ischoegl ischoegl requested a review from speth October 13, 2025 20:06
speth
speth requested changes Oct 18, 2025
View reviewed changes
Copy link
Copy Markdown
Member

@speth speth left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This is OK with me, with a couple of minor changes.

@ischoegl
Copy link
Copy Markdown
Member Author

ischoegl commented Oct 19, 2025

This is OK with me, with a couple of minor changes.

Thanks, @speth! Change requests are addressed.

@ischoegl ischoegl requested a review from speth October 19, 2025 02:42
@ischoegl ischoegl merged commit 7e21f3e into Cantera:main Oct 19, 2025
47 of 49 checks passed
@ischoegl ischoegl deleted the fix-Domain1D-toArray branch October 19, 2025 04:58
@speth speth mentioned this pull request Oct 24, 2025
Merged
5 tasks
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Reviewers

@speth speth speth approved these changes

Assignees

No one assigned

Labels

Python

Projects

None yet

Milestone

No milestone

Development

Successfully merging this pull request may close these issues.

Domain1D::toArray may not represent correct thermodynamic states

2 participants

@ischoegl @speth