PhreeqcKernelData/CreateEquilibriumReactants.cpp

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#include "CreateEquilibriumReactants.h"
 
#include <optional>
#include <vector>
 
#include "BaseLib/ConfigTree.h"
#include "EquilibriumReactants.h"
#include "MeshLib/Mesh.h"
#include "MeshLib/Utils/getOrCreateMeshProperty.h"
 
namespace ChemistryLib
{
namespace PhreeqcKernelData
{
std::unique_ptr<EquilibriumReactants> createEquilibriumReactants(
    std::optional<BaseLib::ConfigTree> const& config, MeshLib::Mesh const& mesh)
{
    if (!config)
    {
        return nullptr;
    }
 
    std::vector<PhaseComponent> phase_components;
    for (
        auto const& phase_component_config :
        config->getConfigSubtreeList("phase_component"))
    {
        auto name =
            phase_component_config.getConfigParameter<std::string>("name");
 
        double const initial_amount =
            phase_component_config.getConfigParameter<double>("initial_amount");
 
        double const saturation_index =
            phase_component_config.getConfigParameter<double>(
                "saturation_index");
 
        auto amount = MeshLib::getOrCreateMeshProperty<double>(
            const_cast<MeshLib::Mesh&>(mesh),
            name,
            MeshLib::MeshItemType::Node,
            1);
        std::fill(amount->begin(), amount->end(), initial_amount);
 
        phase_components.emplace_back(
            std::move(name), initial_amount, saturation_index);
    }
 
    return std::make_unique<EquilibriumReactants>(phase_components);
}
}  // namespace PhreeqcKernelData
}  // namespace ChemistryLib