DaeSolver.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 <functional>
#include <memory>
 
// Reaktoro includes
#include <Reaktoro/Math/Matrix.hpp>
 
namespace Reaktoro {
 
using DaeFunction = std::function<int(double t, VectorConstRef u, VectorConstRef udot, VectorRef F)>;
 
using DaeJacobian = std::function<int(double t, VectorConstRef u, VectorConstRef udot, MatrixRef J)>;
 
struct DaeOptions
{
};
 
class DaeProblem
{
public:
    DaeProblem();
 
    DaeProblem(const DaeProblem& other);
 
    virtual ~DaeProblem();
 
    auto operator=(DaeProblem other) -> DaeProblem&;
 
    auto setNumEquations(unsigned num) -> void;
 
    auto setFunction(const DaeFunction& f) -> void;
 
    auto setJacobian(const DaeJacobian& J) -> void;
 
    auto initialized() const -> bool;
 
    auto numEquations() const -> unsigned;
 
    auto function() const -> const DaeFunction&;
 
    auto jacobian() const -> const DaeJacobian&;
 
    auto function(double t, VectorConstRef y, VectorConstRef ydot, VectorRef f) const -> int;
 
    auto jacobian(double t, VectorConstRef y, VectorConstRef ydot, MatrixRef J) const -> int;
 
private:
    struct Impl;
 
    std::unique_ptr<Impl> pimpl;
};
 
class DaeSolver
{
public:
    DaeSolver();
 
    DaeSolver(const DaeSolver& other);
 
    virtual ~DaeSolver();
 
    auto operator=(DaeSolver other) -> DaeSolver&;
 
    auto setOptions(const DaeOptions& options) -> void;
 
    auto setProblem(const DaeProblem& problem) -> void;
 
    auto initialize(double tstart, VectorConstRef y) -> void;
 
    auto integrate(double& t, VectorRef y) -> void;
 
    auto integrate(double& t, VectorRef y, double tfinal) -> void;
 
    auto solve(double& t, double dt, VectorRef y) -> void;
 
private:
    struct Impl;
 
    std::unique_ptr<Impl> pimpl;
};
 
} // namespace Reaktoro