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Handle species thermo temperature limits, and minor fixes#970

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speth merged 7 commits intoCantera:mainfrom
speth:species-T-limits
Jan 30, 2021
Merged

Handle species thermo temperature limits, and minor fixes#970
speth merged 7 commits intoCantera:mainfrom
speth:species-T-limits

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@speth speth commented Jan 29, 2021

Changes proposed in this pull request

  • Set default max temperature for constant-cp and piecewise-Gibbs species thermo to infinity (instead of 0)
  • Read min and max temperatures for these species thermo types from YAML input files
  • Include these min and max temperatures when converting from CTI or XML input files
  • Deprecate nasa.yaml, in favor of the more specific nasa_gas.yaml and nasa_condensed.yaml files
  • Fix a couple of typos

Checklist

  • There is a clear use-case for this code change
  • The commit message has a short title & references relevant issues
  • Build passes (scons build & scons test) and unit tests address code coverage
  • The pull request is ready for review

speth added 7 commits January 28, 2021 21:55
Prefer the more specific files nasa_gas.yaml and nasa_condensed.yaml
For the constant-cp (ConstCpPoly) and piecewise-gibbs (Mu0Poly)
species thermo models, the default min and max temperature were both
zero. Because Cantera rarely checks these temperature bounds, use of
these defaults is fine in most cases, but causes confusing errors on
the rare occasions where the bounds are accessed, as in the "gibbs"
(MultiPhase) equilibrium solver.

Setting the default max temperature to infinity avoids these confusing
errors without introducing an arbitrary default value or the
requirement to always specify temperature limits.
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codecov bot commented Jan 30, 2021

Codecov Report

Merging #970 (002d431) into main (7f9a589) will increase coverage by 0.02%.
The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #970      +/-   ##
==========================================
+ Coverage   71.26%   71.28%   +0.02%     
==========================================
  Files         377      377              
  Lines       46301    46335      +34     
==========================================
+ Hits        32995    33032      +37     
+ Misses      13306    13303       -3     
Impacted Files Coverage Δ
include/cantera/kinetics/RxnRates.h 92.63% <ø> (ø)
include/cantera/thermo/IdealGasPhase.h 97.05% <ø> (ø)
src/thermo/ConstCpPoly.cpp 53.19% <ø> (ø)
src/thermo/Mu0Poly.cpp 94.16% <ø> (ø)
src/thermo/SpeciesThermoFactory.cpp 81.91% <100.00%> (+0.54%) ⬆️
test/thermo/thermoParameterizations.cpp 95.34% <100.00%> (+0.14%) ⬆️
include/cantera/thermo/WaterPropsIAPWS.h 100.00% <0.00%> (ø)
...st_problems/cathermo/testWaterTP/testWaterSSTP.cpp 97.22% <0.00%> (+0.01%) ⬆️
src/thermo/ThermoPhase.cpp 76.57% <0.00%> (+0.14%) ⬆️
src/thermo/WaterSSTP.cpp 81.28% <0.00%> (+0.86%) ⬆️
... and 2 more

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@speth speth merged commit b3f3686 into Cantera:main Jan 30, 2021
@speth speth deleted the species-T-limits branch May 23, 2021 02:11
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2 participants