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specmicp/src/reactmicp/systems/chloride/transport_stagger.cpp
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transport_stagger.cpp
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/* =============================================================================
Copyright (c) 2014-2017 F. Georget <fabieng@princeton.edu> Princeton University
Copyright (c) 2017 F. Georget <fabien.georget@epfl.ch> EPFL
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. *
============================================================================= */
#include "transport_stagger.hpp"
#include "transport_program.hpp"
#include "boundary_conditions.hpp"
#include "dfpm/solver/parabolic_driver.hpp"
#include "reactmicp/solver/staggers_base/parabolic_driver_help.hpp"
#include "specmicp_common/compat.hpp"
namespace specmicp {
namespace reactmicp {
namespace systems {
namespace chloride {
// =============== Implementation interface ==========================
struct ChlorideTransportStagger::ChlorideTransportStaggerImpl
{
std::unique_ptr<ChlorideProgram> m_program;
std::unique_ptr<dfpmsolver::ParabolicDriver<ChlorideProgram>> m_driver;
scalar_t m_dt {-1};
ChlorideTransportStaggerImpl(
ChlorideVariablesPtr vars,
std::shared_ptr<BoundaryConditions> bcs,
dfpmsolver::ParabolicDriverOptions opts
) {
initialize_program(vars, bcs);
initialize_driver();
set_options(opts);
}
ChlorideTransportStaggerImpl(
ChlorideVariablesPtr vars,
std::shared_ptr<BoundaryConditions> bcs
) {
initialize_program(vars, bcs);
initialize_driver();
}
void initialize_program(
ChlorideVariablesPtr vars,
std::shared_ptr<BoundaryConditions> bcs
);
void initialize_driver();
void initialize_timestep(
scalar_t dt,
ChlorideVariables * const var
);
StaggerReturnCode restart_timestep(
ChlorideVariables * const var
);
scalar_t get_residual(
ChlorideVariables * const var
);
scalar_t get_residual_0(
ChlorideVariables * const var
);
scalar_t get_update(
ChlorideVariables * const var
);
void set_options(const dfpmsolver::ParabolicDriverOptions& opts) {
m_driver->get_options() = opts;
}
dfpmsolver::ParabolicDriverOptions& get_options() {
return m_driver->get_options();
}
};
// ================== Main interface ===================================
ChlorideTransportStagger::ChlorideTransportStagger(
ChlorideVariablesPtr vars,
std::shared_ptr<BoundaryConditions> bcs
):
m_impl(utils::make_pimpl<ChlorideTransportStaggerImpl>(vars, bcs))
{
}
ChlorideTransportStagger::~ChlorideTransportStagger() = default;
void ChlorideTransportStagger::initialize(VariablesBase * const var)
{
}
void ChlorideTransportStagger::initialize_timestep(
scalar_t dt,
VariablesBase * const var
)
{
m_impl->initialize_timestep(dt, cast_from_base(var));
}
StaggerReturnCode ChlorideTransportStagger::restart_timestep(
VariablesBase * const var
)
{
return m_impl->restart_timestep(cast_from_base(var));
}
scalar_t ChlorideTransportStagger::get_residual(
VariablesBase * const var
)
{
return m_impl->get_residual(cast_from_base(var));
}
scalar_t ChlorideTransportStagger::get_residual_0(
VariablesBase * const var
)
{
return m_impl->get_residual_0(cast_from_base(var));
}
scalar_t ChlorideTransportStagger::get_update(
VariablesBase * const var
)
{
return m_impl->get_update(cast_from_base(var));
}
void ChlorideTransportStagger::print_debug_information(
VariablesBase * const var
)
{
// nothing for now
}
void ChlorideTransportStagger::set_approximation_method(AdimSolutionPerturbationMethod method)
{
m_impl->m_program->set_approx_method(method);
}
dfpmsolver::ParabolicDriverOptions& ChlorideTransportStagger::get_options() {
return m_impl->get_options();
}
void ChlorideTransportStagger::set_scaling(Vector scaling_vector) {
m_impl->m_program->set_scaling(scaling_vector);
}
// ================ Implementation ======================================
void ChlorideTransportStagger::ChlorideTransportStaggerImpl::initialize_program(
ChlorideVariablesPtr vars,
std::shared_ptr<BoundaryConditions> bcs
)
{
m_program = make_unique<ChlorideProgram>(vars, bcs->get_fixed_dofs());
}
void ChlorideTransportStagger::ChlorideTransportStaggerImpl::initialize_driver()
{
m_driver = make_unique<dfpmsolver::ParabolicDriver<ChlorideProgram>>(*(m_program.get()));
}
void ChlorideTransportStagger::ChlorideTransportStaggerImpl::initialize_timestep(
scalar_t dt,
ChlorideVariables * const var
)
{
m_dt = dt;
var->predictors() = var->main_variables();
for (auto node: var->get_mesh()->range_nodes()) {
const auto dof = var->dof_potential(node);
const auto ideq = m_program->id_equation(dof);
if (ideq != no_equation) {
var->predictors()(dof) = 0;
//var->main_variables()(dof) = 0;
}
}
// Reset the values
var->velocities().setZero();
var->transport_rates().setZero();
var->chemistry_rates().setZero();
m_program->initialize_timestep(dt);
m_driver->initialize_timestep(dt, var->main_variables());
}
StaggerReturnCode ChlorideTransportStagger::ChlorideTransportStaggerImpl::restart_timestep(
ChlorideVariables * const var
)
{
m_driver->velocity() = var->velocities();
const auto retcode = m_driver->restart_timestep(var->main_variables());
if (retcode > dfpmsolver::ParabolicDriverReturnCode::NotConvergedYet)
{
var->velocities() = m_driver->velocity();
}
return solver::parabolic2StaggerReturnCode(retcode);
}
scalar_t ChlorideTransportStagger::ChlorideTransportStaggerImpl::get_residual(
ChlorideVariables * const var
)
{
Vector residuals(m_program->get_neq());
m_program->compute_residuals(var->main_variables(), var->velocities(), residuals);
return residuals.norm();
}
scalar_t ChlorideTransportStagger::ChlorideTransportStaggerImpl::get_residual_0(
ChlorideVariables * const var
)
{
Vector residuals(m_program->get_neq());
m_program->compute_residuals_0(var->main_variables(), var->velocities(), residuals);
return residuals.norm();
}
scalar_t ChlorideTransportStagger::ChlorideTransportStaggerImpl::get_update(
ChlorideVariables * const var
)
{
return var->velocities().norm();
}
} // namespace chloride
} // namespace systems
} // namespace reactmicp
} // namespace specmicp
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