ChemicalSolverInterface.h

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause

#pragma once
 
#include <Eigen/Sparse>
 
#include "MaterialLib/MPL/VariableType.h"
#include "MathLib/LinAlg/GlobalLinearSolverType.h"
#include "MathLib/LinAlg/GlobalMatrixVectorTypes.h"
#include "MeshLib/Mesh.h"
 
namespace MaterialPropertyLib
{
class Medium;
}
 
namespace ParameterLib
{
class SpatialPosition;
}
 
namespace ChemistryLib
{
class ChemicalSolverInterface
{
public:
    ChemicalSolverInterface(MeshLib::Mesh const& mesh,
                            GlobalLinearSolver& linear_solver_)
        : _mesh(mesh), linear_solver(linear_solver_)
    {
        auto const* const bulk_element_ids = bulkElementIDs(_mesh);
        if (bulk_element_ids == nullptr)
        {
            OGS_FATAL(
                "The 'bulk_element_ids' property does not exist on the mesh "
                "{:s}.",
                _mesh.getName());
        }
        active_element_ids_.assign(bulk_element_ids->begin(),
                                   bulk_element_ids->end());
    }
 
    std::vector<std::size_t> const& activeElementIDs() const
    {
        return active_element_ids_;
    }
 
    virtual void initialize() {}
 
    virtual void initializeChemicalSystemConcrete(
        std::vector<double> const& /*concentrations*/,
        GlobalIndexType const& /*chemical_system_id*/,
        MaterialPropertyLib::Medium const& /*medium*/,
        ParameterLib::SpatialPosition const& /*pos*/, double const /*t*/)
    {
    }
 
    virtual void setChemicalSystemConcrete(
        std::vector<double> const& /*concentrations*/,
        GlobalIndexType const& /*chemical_system_id*/,
        MaterialPropertyLib::Medium const* /*medium*/,
        MaterialPropertyLib::VariableArray const& /*vars*/,
        ParameterLib::SpatialPosition const& /*pos*/, double const /*t*/,
        double const /*dt*/)
    {
    }
 
    virtual void setAqueousSolutionsPrevFromDumpFile() {}

    virtual void executeSpeciationCalculation([[maybe_unused]] double const dt)
    {
    }
 
    virtual double getConcentration(
        int const /*component_id*/,
        GlobalIndexType const /*chemical_system_id*/) const
    {
        return std::numeric_limits<double>::quiet_NaN();
    }
 
    virtual std::vector<std::string> const getComponentList() const
    {
        return {};
    }
 
    virtual Eigen::SparseMatrix<double> const* getStoichiometricMatrix() const
    {
        return nullptr;
    }
 
    virtual double getKineticPrefactor(
        [[maybe_unused]] std::size_t reaction_id) const
    {
        return std::numeric_limits<double>::quiet_NaN();
    }

    virtual void updateVolumeFractionPostReaction(
        GlobalIndexType const& /*chemical_system_id*/,
        MaterialPropertyLib::Medium const& /*medium*/,
        ParameterLib::SpatialPosition const& /*pos*/, double const /*porosity*/,
        double const /*t*/, double const /*dt*/)
    {
    }

    virtual void updatePorosityPostReaction(
        GlobalIndexType const& /*chemical_system_id*/,
        MaterialPropertyLib::Medium const& /*medium*/,
        double& /*porosity*/)
    {
    }
 
    virtual void computeSecondaryVariable(
        std::size_t const /*ele_id*/,
        std::vector<GlobalIndexType> const& /*chemical_system_indices*/)
    {
    }
 
    virtual ~ChemicalSolverInterface() = default;
 
public:
    std::vector<GlobalIndexType> chemical_system_index_map;
    MeshLib::Mesh const& _mesh;
    GlobalLinearSolver& linear_solver;
 
private:
    std::vector<std::size_t> active_element_ids_;
};
}  // namespace ChemistryLib