Partition.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright (C) 2014-2018 Allan Leal
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library. If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
// C++ includes
#include <memory>
#include <string>
#include <vector>
 
// Reaktoro includes
#include <Reaktoro/Common/Index.hpp>
#include <Reaktoro/Math/Matrix.hpp>
 
namespace Reaktoro {
 
// Forward declarations
class ChemicalSystem;
 
class Partition
{
public:
    Partition();
 
    Partition(const ChemicalSystem& system);
 
    auto setEquilibriumSpecies(const Indices& ispecies) -> void;
 
    auto setEquilibriumSpecies(const std::vector<std::string>& species) -> void;
 
    auto setEquilibriumPhases(const Indices& iphases) -> void;
 
    auto setEquilibriumPhases(const std::vector<std::string>& phases) -> void;
 
    auto setKineticSpecies(const Indices& species) -> void;
 
    auto setKineticSpecies(const std::vector<std::string>& species) -> void;
 
    auto setKineticPhases(const Indices& iphases) -> void;
 
    auto setKineticPhases(const std::vector<std::string>& phases) -> void;
 
    auto setInertSpecies(const Indices& species) -> void;
 
    auto setInertSpecies(const std::vector<std::string>& species) -> void;
 
    auto setInertPhases(const Indices& iphases) -> void;
 
    auto setInertPhases(const std::vector<std::string>& phases) -> void;
 
    auto setFluidPhases(const Indices& indices) -> void;
 
    auto setFluidPhases(const std::vector<std::string>& names) -> void;
 
    auto setSolidPhases(const Indices& indices) -> void;
 
    auto setSolidPhases(const std::vector<std::string>& names) -> void;
 
    auto system() const -> const ChemicalSystem&;
 
    auto numFluidPhases() const -> unsigned;
 
    auto numFluidSpecies() const -> unsigned;
 
    auto numSolidPhases() const -> unsigned;
 
    auto numSolidSpecies() const -> unsigned;
 
    auto numEquilibriumSpecies() const -> unsigned;
 
    auto numEquilibriumFluidSpecies() const -> unsigned;
 
    auto numEquilibriumSolidSpecies() const -> unsigned;
 
    auto numKineticSpecies() const -> unsigned;
 
    auto numKineticFluidSpecies() const -> unsigned;
 
    auto numKineticSolidSpecies() const -> unsigned;
 
    auto numInertSpecies() const -> unsigned;
 
    auto numInertFluidSpecies() const -> unsigned;
 
    auto numInertSolidSpecies() const -> unsigned;
 
    auto numEquilibriumElements() const -> unsigned;
 
    auto numEquilibriumFluidElements() const -> unsigned;
 
    auto numEquilibriumSolidElements() const -> unsigned;
 
    auto numKineticElements() const -> unsigned;
 
    auto numKineticFluidElements() const -> unsigned;
 
    auto numKineticSolidElements() const -> unsigned;
 
    auto numInertElements() const -> unsigned;
 
    auto numInertFluidElements() const -> unsigned;
 
    auto numInertSolidElements() const -> unsigned;
 
    auto indicesFluidPhases() const -> const Indices&;
 
    auto indicesFluidSpecies() const -> const Indices&;
 
    auto indicesSolidPhases() const -> const Indices&;
 
    auto indicesSolidSpecies() const -> const Indices&;
 
    auto indicesEquilibriumSpecies() const -> const Indices&;
 
    auto indicesEquilibriumFluidSpecies() const -> const Indices&;
 
    auto indicesEquilibriumSolidSpecies() const -> const Indices&;
 
    auto indicesKineticSpecies() const -> const Indices&;
 
    auto indicesKineticFluidSpecies() const -> const Indices&;
 
    auto indicesKineticSolidSpecies() const -> const Indices&;
 
    auto indicesInertSpecies() const -> const Indices&;
 
    auto indicesInertFluidSpecies() const -> const Indices&;
 
    auto indicesInertSolidSpecies() const -> const Indices&;
 
    auto indicesEquilibriumElements() const -> const Indices&;
 
    auto indicesEquilibriumFluidElements() const -> const Indices&;
 
    auto indicesEquilibriumSolidElements() const -> const Indices&;
 
    auto indicesKineticElements() const -> const Indices&;
 
    auto indicesKineticFluidElements() const -> const Indices&;
 
    auto indicesKineticSolidElements() const -> const Indices&;
 
    auto indicesInertElements() const -> const Indices&;
 
    auto indicesInertFluidElements() const -> const Indices&;
 
    auto indicesInertSolidElements() const -> const Indices&;
 
    auto formulaMatrixEquilibriumPartition() const -> MatrixConstRef;
 
    auto formulaMatrixEquilibriumFluidPartition() const -> MatrixConstRef;
 
    auto formulaMatrixEquilibriumSolidPartition() const -> MatrixConstRef;
 
    auto formulaMatrixKineticPartition() const -> MatrixConstRef;
 
    auto formulaMatrixKineticFluidPartition() const -> MatrixConstRef;
 
    auto formulaMatrixKineticSolidPartition() const -> MatrixConstRef;
 
    auto formulaMatrixInertPartition() const -> MatrixConstRef;
 
    auto formulaMatrixInertFluidPartition() const -> MatrixConstRef;
 
    auto formulaMatrixInertSolidPartition() const -> MatrixConstRef;
 
private:
    struct Impl;
 
    std::shared_ptr<Impl> pimpl;
};
 
} // namespace Reaktoro