Conditional rate updates for MultiRate reactions

[speth]

Changes proposed in this pull request

• Use the RateData::update method (executed once per reaction type) to determine whether or not both updateFromStruct and evalFromStruct need to be called for all reactions of that type.
• Remove other conditions that could cause evaluation of BulkKinetics::m_bulk_rates to be skipped incorrectly

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

The timing results from custom_reactions.py show an improvement compared to the "legacy" framework, with the new framework now outperforming the "legacy" one.

• Current main branch:

  • New framework (YAML): 257.54 ms (T_final=2736.60)
  • One Python reaction: 273.18 ms (T_final=2736.60) ... +6.07%
  • Old framework (XML): 253.31 ms (T_final=2736.60) ... -1.64%

• This PR:

  • New framework (YAML): 248.20 ms (T_final=2736.60)
  • One Python reaction: 268.20 ms (T_final=2736.60) ... +8.06%
  • Old framework (XML): 254.35 ms (T_final=2736.60) ... +2.48%

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 #1151 (73db64a) into main (d5e075a) will increase coverage by 0.03%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main    #1151      +/-   ##
==========================================
+ Coverage   73.73%   73.76%   +0.03%     
==========================================
  Files         370      370              
  Lines       48927    48983      +56     
==========================================
+ Hits        36077    36133      +56     
  Misses      12850    12850              

Impacted Files	Coverage Δ
include/cantera/kinetics/MultiRateBase.h	100.00% <ø> (ø)
test/kinetics/kineticsFromScratch.cpp	100.00% <ø> (ø)
include/cantera/kinetics/MultiRate.h	74.54% <100.00%> (+2.54%)	⬆️
include/cantera/kinetics/ReactionData.h	100.00% <100.00%> (ø)
src/kinetics/GasKinetics.cpp	85.86% <100.00%> (+0.14%)	⬆️
src/kinetics/ReactionData.cpp	100.00% <100.00%> (ø)
src/thermo/Phase.cpp	85.09% <100.00%> (+0.02%)	⬆️

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[ischoegl]

@speth … this looks like a really good solution to the update process. Thanks for looking into this, as this was one of the items that needed to be taken care of. Hadn’t thought of moving the update checks into ReactionData before seeing this, but I like this solution quite a bit, as it appears to resolve multiple issues once and for all.

[ischoegl]

Now that ReactionData has become a lot smarter, it may make sense to have a pure abstract parent class/struct for documentation purposes, where each of the current classes is a specialization. I don't want to include this in this PR, but I think it would make sense to implement this prior to 2.6.