Implementation of MoleReactor and ConstantPressureMoleReactor

[anthony-walker]

Changes proposed in this pull request

• Implement MoleReactor class
• Implement ConstPressureMoleReactor class
• Add corresponding python interfaces and inherit existing python tests
• Add test to compare to integration of mass fraction reactors with surface chemistry
• Supports Addition of Jacobian Preconditioning Functionality to Cantera. enhancements#47
• Bug fix in test_reactor.py::test_component_names

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

Merging #1363 (bcd8124) into main (e3080ed) will increase coverage by 0.05%.
The diff coverage is 75.63%.

@@            Coverage Diff             @@
##             main    #1363      +/-   ##
==========================================
+ Coverage   70.99%   71.04%   +0.05%     
==========================================
  Files         357      359       +2     
  Lines       51561    51707     +146     
  Branches    17267    17327      +60     
==========================================
+ Hits        36605    36735     +130     
+ Misses      12643    12634       -9     
- Partials     2313     2338      +25     

Impacted Files	Coverage Δ
...e/cantera/zeroD/IdealGasConstPressureMoleReactor.h	66.66% <ø> (-33.34%)	⬇️
include/cantera/zeroD/MoleReactor.h	66.66% <ø> (+55.55%)	⬆️
src/zeroD/ConstPressureMoleReactor.cpp	56.71% <56.71%> (ø)
include/cantera/zeroD/ConstPressureMoleReactor.h	66.66% <66.66%> (ø)
src/zeroD/ReactorFactory.cpp	86.66% <66.66%> (-13.34%)	⬇️
src/zeroD/MoleReactor.cpp	90.66% <86.27%> (+40.66%)	⬆️
interfaces/cython/cantera/reactor.pyx	89.41% <100.00%> (+0.17%)	⬆️
src/zeroD/IdealGasConstPressureMoleReactor.cpp	73.60% <100.00%> (-1.59%)	⬇️
src/zeroD/IdealGasMoleReactor.cpp	92.85% <100.00%> (+8.02%)	⬆️
... and 8 more

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[speth]

Thanks, @anthony-walker, it's good to see the set of reactor types more fleshed out.

Besides the few comments below, one thing I think you should do is add the Extensible...Reactor wrappers for all of the mole-based reactor classes so they can be used as the basis for user-defined reactors as well.

[anthony-walker]

@speth Thank you for the review. I have made all of the requested changes. Aside from the following because m_mass is used in the getMoles function. I have added a comment to reflect this as well and avoid confusion.

The value of m_mass is not used in this case, so I don't think there's a need to set it in this method.

I was considering potentially adding some tests for the Extensible...MoleReactor classes as well if you think necessary. Thoughts?

[ischoegl]

Just as a minor comment, as of 3.0 we are trying to keep track of newly introduced features with doxygen and Sphinx tags (should have pointed that out in #1003 and #1377).

[speth]

Thanks for the updates, @anthony-walker. I agree with you on leaving the use of m_mass in getState alone for now.

I think the only remaining issues are two small documentation updates.

[anthony-walker]

@speth and @ischoegl, thank you for the review. Assuming all checks pass, I have addressed all of your comments and concerns.

[speth]

Thanks, @anthony-walker. This looks good to me. I'll merge once the tests all pass.