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Merge branch 'fix-exchange' into 'poet'

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fix: ensure proper value assignment for exchange totals

See merge request naaice/iphreeqc!31
This commit is contained in:
Max Lübke 2025-09-23 12:09:20 +02:00
commit 953c752431
1 changed files with 9 additions and 7 deletions
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16
poet/src/Wrapper/ExchangeCompWrapper.cpp
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@ -8,6 +8,9 @@ ExchangeWrapper::ExchangeCompWrapper::ExchangeCompWrapper(cxxExchComp &comp)
void ExchangeWrapper::ExchangeCompWrapper::get(
std::span<LDBLE> &exchange) const {
std::size_t exch_index = this->NUM_NOT_TOTALS;
exchange[0] = exch_comp.Get_totals().find(exch_comp.Get_formula())->second;
exchange[1] = exch_comp.Get_charge_balance();
exchange[2] = exch_comp.Get_la();
@ -16,15 +19,16 @@ void ExchangeWrapper::ExchangeCompWrapper::get(
for (const auto &[name, value] : exch_comp.Get_totals()) {
if (name != exch_comp.Get_formula()) {
exchange[NUM_NOT_TOTALS +
std::distance(exch_comp.Get_totals().begin(),
exch_comp.Get_totals().find(name))] = value;
exchange[exch_index++] = value;
}
}
}
void ExchangeWrapper::ExchangeCompWrapper::set(
const std::span<LDBLE> &exchange) {
std::size_t exch_index = this->NUM_NOT_TOTALS;
exch_comp.Get_totals().find(exch_comp.Get_formula())->second = exchange[0];
exch_comp.Set_charge_balance(exchange[1]);
exch_comp.Set_la(exchange[2]);
@ -33,9 +37,7 @@ void ExchangeWrapper::ExchangeCompWrapper::set(
for (auto &[name, value] : exch_comp.Get_totals()) {
if (name != exch_comp.Get_formula()) {
value = exchange[NUM_NOT_TOTALS +
std::distance(exch_comp.Get_totals().begin(),
exch_comp.Get_totals().find(name))];
value = exchange[exch_index++];
}
}
}
}