CreateAqueousSolution.cpp

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#include "CreateAqueousSolution.h"
 
#include "AqueousSolution.h"
#include "BaseLib/ConfigTree.h"
#include "ChemistryLib/Common/CreateChargeBalance.h"
#include "CreateSolutionComponent.h"
#include "MeshLib/Mesh.h"
#include "MeshLib/Utils/getOrCreateMeshProperty.h"
 
namespace ChemistryLib
{
namespace PhreeqcIOData
{
std::unique_ptr<AqueousSolution> createAqueousSolution(
    BaseLib::ConfigTree const& config, MeshLib::Mesh& mesh)
{
    auto const fixing_pe = config.getConfigAttribute<bool>("fixing_pe", false);
 
    auto const temperature = config.getConfigParameter<double>("temperature");
 
    auto const pressure = config.getConfigParameter<double>("pressure");
 
    auto const pe0 = config.getConfigParameter<double>("pe");
 
    auto pe = MeshLib::getOrCreateMeshProperty<double>(
        mesh, "pe", MeshLib::MeshItemType::IntegrationPoint, 1);
 
    auto components = createSolutionComponents(config);
 
    auto charge_balance = createChargeBalance(config);
 
    return std::make_unique<AqueousSolution>(fixing_pe, temperature, pressure,
                                             pe, pe0, std::move(components),
                                             charge_balance);
}
}  // namespace PhreeqcIOData
}  // namespace ChemistryLib