Introduce cantera/core.h for C++ Examples

[ischoegl]

Changes proposed in this pull request

• Add relevant headers to Solution.h
• Edit: Introduce cantera/core.h
• Remove redundant headers from samples

Also:

• Implement Solution::setTransport(const std::string&)

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

In many instances where newSolution handles the creation of a Cantera::Solution object, the main include needed in C++ would be

#include "cantera/core.h"

An alternative would be to introduce a new core.h header at the same level as thermo.h etc. (I.e. #include "cantera/core.h") ... Edit: this was adopted as an alternative to include common headers in Solution.h

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

[bryanwweber]

Per my comments below, IMO the preferred method to make newSolution more accessible to users would be to add a new header, say, solution.h.

[ischoegl]

@bryanwweber / @speth ... thank you for the feedback.

Per my comments below, IMO the preferred method to make newSolution more accessible to users would be to add a new header, say, solution.h.

I had already eyed that idea (see comments on top). Ultimately, I believe

#include "cantera/core.h"

is the most intuitive nomenclature - which is now implemented (it combines all commonly used features of what I consider the core - Solution, ThermoPhase, Kinetics and TransportBase).

[decaluwe]

Thanks, @ischoegl, this seems pretty non-controversial, and really cleans up the include headers in some of the examples!

Naive question: You have added core.h to the zerodim and onedim headers, but I noticed that there are no lines that get taken out (i.e. these files did not previously include any of the include files listed in core.h. Am I understanding that correctly? And if so, why is it necessary to include core.h now? (note: this is not criticism, more just me trying to understand).

Edit: Never mind, I think I figured it out. Including it here cleans up header statements for things like Combustor.cpp and kinetics1.cpp, which already include zerodim, et al. Is that correct?

[ischoegl]

@decaluwe ... glad you like it!

Including it here cleans up header statements for things like Combustor.cpp and kinetics1.cpp, which already include zerodim, et al. Is that correct?

Correct. I view core.h as something that is needed for most Cantera applications. Beyond, zerodim and onedim are expansions that build on top of this.

[ischoegl]

Per discussion elsewhere, it may make sense to postpone this feature until after the 2.6 release. I will nevertheless keep the PR open as I think the feature is worthwhile.

[codecov]

Codecov Report

Merging #1238 (31ab3d7) into main (c040b12) will decrease coverage by 0.07%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main    #1238      +/-   ##
==========================================
- Coverage   67.26%   67.19%   -0.08%     
==========================================
  Files         314      314              
  Lines       41887    41905      +18     
  Branches    16852    16862      +10     
==========================================
- Hits        28174    28156      -18     
- Misses      11483    11518      +35     
- Partials     2230     2231       +1     

Impacted Files	Coverage Δ
include/cantera/base/Solution.h	93.33% <ø> (ø)
samples/cxx/openmp_ignition/openmp_ignition.cpp	84.84% <ø> (ø)
samples/cxx/flamespeed/flamespeed.cpp	91.89% <100.00%> (ø)
src/base/Solution.cpp	81.50% <100.00%> (+0.12%)	⬆️
include/cantera/kinetics/Reaction.h	80.95% <0.00%> (-13.50%)	⬇️
src/kinetics/Falloff.cpp	79.81% <0.00%> (-5.54%)	⬇️
include/cantera/kinetics/ReactionRate.h	80.00% <0.00%> (-4.10%)	⬇️
src/kinetics/InterfaceRate.cpp	88.00% <0.00%> (-3.08%)	⬇️
src/kinetics/PlogRate.cpp	91.48% <0.00%> (-3.02%)	⬇️
include/cantera/kinetics/Falloff.h	80.00% <0.00%> (-1.36%)	⬇️
... and 9 more

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[ischoegl]

This should be one of the easier PR's left over from ongoing work prior to 2.6. Now that we're on our way to 3.0, this should be good for a review.

I ended up adding Solution::setTransport(const std::string&), which I believe should be a helpful addition.

PS: I'm a little torn about including cantera/base/global.h in core.h, as most examples don't use it. At the same time, it is useful for logging, warnings, etc. (and it will be a lot shorter after removal of CTI/XML) Edit: removed.

[ischoegl]

@speth / @bryanwweber … rebased and ready for review.

[speth]

Thanks, @ischoegl. Overall, I think this looks good. In a way, this is a better thought out version of the Cantera.h header that used to exist before around Cantera 2.2.

[ischoegl]

@speth ... thanks for the review! I think this is ready ...

[ischoegl]

@bryanwweber ... do you approve?