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[kinetics] Track undeclared third body usage

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This commit is contained in:
Ingmar Schoegl 2023-08-12 07:34:04 -05:00
parent e00c23ffc3
commit 693beb6de8
3 changed files with 8 additions and 0 deletions
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3
include/cantera/kinetics/Kinetics.h
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@ -1625,6 +1625,9 @@ protected:
//! See skipUndeclaredThirdBodies() //! See skipUndeclaredThirdBodies()
bool m_skipUndeclaredThirdBodies = false; bool m_skipUndeclaredThirdBodies = false;
//! Flag indicating whether reactions include undeclared third bodies
bool m_hasUndeclaredThirdBodies = false;
//! reference to Solution //! reference to Solution
std::weak_ptr<Solution> m_root; std::weak_ptr<Solution> m_root;
}; };

2
src/kinetics/BulkKinetics.cpp
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@ -88,6 +88,8 @@ void BulkKinetics::addThirdBody(shared_ptr<Reaction> r)
throw CanteraError("BulkKinetics::addThirdBody", "Found third-body" throw CanteraError("BulkKinetics::addThirdBody", "Found third-body"
" efficiency for undefined species '{}' while adding reaction '{}'", " efficiency for undefined species '{}' while adding reaction '{}'",
name, r->equation()); name, r->equation());
} else {
m_hasUndeclaredThirdBodies = true;
} }
} }
m_multi_concm.install(nReactions() - 1, efficiencies, m_multi_concm.install(nReactions() - 1, efficiencies,

3
src/kinetics/Kinetics.cpp
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@ -643,6 +643,9 @@ AnyMap Kinetics::parameters()
if (nReactions() == 0) { if (nReactions() == 0) {
out["reactions"] = "none"; out["reactions"] = "none";
} }
if (m_hasUndeclaredThirdBodies) {
out["skip-undeclared-third-bodies"] = true;
}
} }
return out; return out;
} }