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specmicp/src/reactmicp/systems/unsaturated/aqueous_equation.hpp
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/*-------------------------------------------------------------------------------
Copyright (c) 2015 F. Georget <fabieng@princeton.edu>, Princeton University
All rights reserved.
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation and/or
other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its contributors
may be used to endorse or promote products derived from this software without
specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-----------------------------------------------------------------------------*/
#ifndef SPECMICP_REACTMICP_UNSATURATED_AQUEOUSEQUATION_HPP
#define SPECMICP_REACTMICP_UNSATURATED_AQUEOUSEQUATION_HPP
//! \file unsaturated/aqueous_equation.hpp
//! \brief The equation for the liquid transport of aqueous component
#include "../../../types.hpp"
#include "../../../dfpmsolver/parabolic_program.hpp"
#include "../../../dfpm/meshes/mesh1dfwd.hpp"
#include "variables.hpp"
#include <memory>
namespace specmicp {
namespace reactmicp {
namespace systems {
namespace unsaturated {
class TransportConstraints;
//! \brief Equation for liquid transport of aqueous component
class SPECMICP_DLL_LOCAL AqueousTransportEquation:
public dfpmsolver::ParabolicProgram<AqueousTransportEquation>
{
static constexpr bool chemistry_rate = true;
static constexpr bool no_chemistry_rate = false;
public:
AqueousTransportEquation(
mesh::Mesh1DPtr the_mesh,
LiquidAqueousComponentVariableBox& variables,
const TransportConstraints& constraints);
~AqueousTransportEquation();
//! \brief Return the number of equations
index_t get_neq() const {return m_neq;}
//! \brief Return the number of degrees of freedom per node
index_t get_ndf() const {return m_ndf;}
//! \brief Return the total number of degrees of freedom
index_t get_tot_ndf() const {return m_tot_ndf;}
//! \brief Return the id of equation dof
index_t id_equation(index_t id_dof);
//! \brief Compute the residuals inside 'element'
void residuals_element(
index_t element,
const Vector& displacement,
const Vector& velocity,
Eigen::Vector2d& element_residual,
bool use_chemistry_rate
);
//! \brief Compute the residuals inside 'element'
void residuals_element(
index_t element,
const Vector& displacement,
const Vector& velocity,
Eigen::Vector2d& element_residual
)
{
residuals_element(element, displacement, velocity, element_residual, true);
}
//! \brief Compute the residuals
void compute_residuals(
const Vector& displacement,
const Vector& velocity,
Vector& residuals,
bool use_chemistry_rate
);
//! \brief Compute the residuals
void compute_residuals(
const Vector& displacement,
const Vector& velocity,
Vector& residuals
)
{
compute_residuals(displacement, velocity, residuals, true);
}
//! \brief Compute the jacobian
void compute_jacobian(Vector& displacement,
Vector& velocity,
Eigen::SparseMatrix<scalar_t>& jacobian,
scalar_t alphadt
);
//! \brief Update the solution
void update_solution(const Vector& update,
scalar_t lambda,
scalar_t alpha_dt,
Vector& predictor,
Vector& displacement,
Vector& velocity);
//! \brief Set the scaling factor
void set_scaling(scalar_t value);
private:
void number_equations(const TransportConstraints& constraints);
index_t m_neq;
index_t m_ndf {1};
index_t m_tot_ndf;
struct AqueousTransportEquationImpl;
std::unique_ptr<AqueousTransportEquationImpl> m_impl;
};
} //end namespace unsaturated
} //end namespace systems
} //end namespace reactmicp
} //end namespace specmicp
#endif // SPECMICP_REACTMICP_UNSATURATED_AQUEOUSEQUATION_HPP
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