CreateKineticReactant.cpp

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#include "CreateKineticReactant.h"
 
#include <optional>
#include <vector>
 
#include "BaseLib/ConfigTree.h"
#include "KineticReactant.h"
#include "MeshLib/Mesh.h"
#include "MeshLib/Utils/getOrCreateMeshProperty.h"
 
namespace ChemistryLib
{
namespace PhreeqcKernelData
{
std::unique_ptr<Kinetics> createKineticReactants(
    std::optional<BaseLib::ConfigTree> const& config, MeshLib::Mesh const& mesh)
{
    if (!config)
    {
        return nullptr;
    }
 
    std::vector<KineticReactant> kinetic_reactants;
    for (
        auto const& reactant_config :
        config->getConfigSubtreeList("kinetic_reactant"))
    {
        auto name = reactant_config.getConfigParameter<std::string>("name");
 
        double const initial_amount =
            reactant_config.getConfigParameter<double>("initial_amount");
 
        auto* const amount = MeshLib::getOrCreateMeshProperty<double>(
            const_cast<MeshLib::Mesh&>(mesh),
            name,
            MeshLib::MeshItemType::Node,
            1);
        std::fill(std::begin(*amount), std::end(*amount), initial_amount);
 
        kinetic_reactants.emplace_back(std::move(name), initial_amount);
    }
 
    return std::make_unique<Kinetics>(kinetic_reactants);
}
}  // namespace PhreeqcKernelData
}  // namespace ChemistryLib