Add Domain1D info to Python API

[ischoegl]

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

[codecov]

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              

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[speth]

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

[ischoegl]

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

Thanks, @speth! Change requests are addressed.