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[Kinetics] Provide input file context for errors in reactions

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This commit is contained in:
Ray Speth
2020-06-30 07:53:53 -04:00
parent 12322bbb35
commit b2dbb1691b
1 changed files with 19 additions and 15 deletions
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src/kinetics/Kinetics.cpp
+19 -15
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@@ -156,7 +156,8 @@ std::pair<size_t, size_t> Kinetics::checkDuplicates(bool throw_err) const
}
}
if (throw_err) {
throw CanteraError("Kinetics::checkDuplicates",
throw InputFileError("Kinetics::checkDuplicates",
R.input, other.input,
"Undeclared duplicate reactions detected:\n"
"Reaction {}: {}\nReaction {}: {}\n",
i+1, other.equation(), m+1, R.equation());
@@ -169,7 +170,8 @@ std::pair<size_t, size_t> Kinetics::checkDuplicates(bool throw_err) const
if (unmatched_duplicates.size()) {
size_t i = *unmatched_duplicates.begin();
if (throw_err) {
throw CanteraError("Kinetics::checkDuplicates",
throw InputFileError("Kinetics::checkDuplicates",
m_reactions[i]->input,
"No duplicate found for declared duplicate reaction number {}"
" ({})", i, m_reactions[i]->equation());
} else {
@@ -258,9 +260,10 @@ void Kinetics::checkReactionBalance(const Reaction& R)
}
}
if (!ok) {
msg = "The following reaction is unbalanced: " + R.equation() + "\n" +
" Element Reactants Products\n" + msg;
throw CanteraError("Kinetics::checkReactionBalance", msg);
throw InputFileError("Kinetics::checkReactionBalance", R.input,
"The following reaction is unbalanced: {}\n"
" Element Reactants Products\n{}",
R.equation(), msg);
}
}
@@ -483,8 +486,8 @@ bool Kinetics::addReaction(shared_ptr<Reaction> r)
// is not reversible, since computing the reverse rate from thermochemistry
// only works for elementary reactions.
if (r->reversible && !r->orders.empty()) {
throw CanteraError("Kinetics::addReaction", "Reaction orders may only "
"be given for irreversible reactions");
throw InputFileError("Kinetics::addReaction", r->input,
"Reaction orders may only be given for irreversible reactions");
}
// Check for undeclared species
@@ -493,9 +496,9 @@ bool Kinetics::addReaction(shared_ptr<Reaction> r)
if (m_skipUndeclaredSpecies) {
return false;
} else {
throw CanteraError("Kinetics::addReaction", "Reaction '" +
r->equation() + "' contains the undeclared species '" +
sp.first + "'");
throw InputFileError("Kinetics::addReaction", r->input,
"Reaction '{}' contains the undeclared species '{}'",
r->equation(), sp.first);
}
}
}
@@ -504,9 +507,9 @@ bool Kinetics::addReaction(shared_ptr<Reaction> r)
if (m_skipUndeclaredSpecies) {
return false;
} else {
throw CanteraError("Kinetics::addReaction", "Reaction '" +
r->equation() + "' contains the undeclared species '" +
sp.first + "'");
throw InputFileError("Kinetics::addReaction", r->input,
"Reaction '{}' contains the undeclared species '{}'",
r->equation(), sp.first);
}
}
}
@@ -515,8 +518,9 @@ bool Kinetics::addReaction(shared_ptr<Reaction> r)
if (m_skipUndeclaredSpecies) {
return false;
} else {
throw CanteraError("Kinetics::addReaction", "Reaction '{}' has "
"a reaction order specified for the undeclared species '{}'",
throw InputFileError("Kinetics::addReaction", r->input,
"Reaction '{}' has a reaction order specified for the "
"undeclared species '{}'",
r->equation(), sp.first);
}
}