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https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
fix: ensure proper value assignment for exchange totals
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24b55af288
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@ -8,6 +8,9 @@ ExchangeWrapper::ExchangeCompWrapper::ExchangeCompWrapper(cxxExchComp &comp)
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void ExchangeWrapper::ExchangeCompWrapper::get(
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void ExchangeWrapper::ExchangeCompWrapper::get(
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std::span<LDBLE> &exchange) const {
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std::span<LDBLE> &exchange) const {
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std::size_t exch_index = this->NUM_NOT_TOTALS;
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exchange[0] = exch_comp.Get_totals().find(exch_comp.Get_formula())->second;
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exchange[0] = exch_comp.Get_totals().find(exch_comp.Get_formula())->second;
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exchange[1] = exch_comp.Get_charge_balance();
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exchange[1] = exch_comp.Get_charge_balance();
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exchange[2] = exch_comp.Get_la();
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exchange[2] = exch_comp.Get_la();
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@ -16,15 +19,16 @@ void ExchangeWrapper::ExchangeCompWrapper::get(
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for (const auto &[name, value] : exch_comp.Get_totals()) {
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for (const auto &[name, value] : exch_comp.Get_totals()) {
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if (name != exch_comp.Get_formula()) {
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if (name != exch_comp.Get_formula()) {
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exchange[NUM_NOT_TOTALS +
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exchange[exch_index++] = value;
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std::distance(exch_comp.Get_totals().begin(),
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exch_comp.Get_totals().find(name))] = value;
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}
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}
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}
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}
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}
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}
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void ExchangeWrapper::ExchangeCompWrapper::set(
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void ExchangeWrapper::ExchangeCompWrapper::set(
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const std::span<LDBLE> &exchange) {
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const std::span<LDBLE> &exchange) {
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std::size_t exch_index = this->NUM_NOT_TOTALS;
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exch_comp.Get_totals().find(exch_comp.Get_formula())->second = exchange[0];
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exch_comp.Get_totals().find(exch_comp.Get_formula())->second = exchange[0];
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exch_comp.Set_charge_balance(exchange[1]);
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exch_comp.Set_charge_balance(exchange[1]);
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exch_comp.Set_la(exchange[2]);
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exch_comp.Set_la(exchange[2]);
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@ -33,9 +37,7 @@ void ExchangeWrapper::ExchangeCompWrapper::set(
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for (auto &[name, value] : exch_comp.Get_totals()) {
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for (auto &[name, value] : exch_comp.Get_totals()) {
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if (name != exch_comp.Get_formula()) {
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if (name != exch_comp.Get_formula()) {
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value = exchange[NUM_NOT_TOTALS +
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value = exchange[exch_index++];
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std::distance(exch_comp.Get_totals().begin(),
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exch_comp.Get_totals().find(name))];
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}
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}
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}
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}
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}
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}
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