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specmicp/src/reactmicp/systems/saturated_react/variables.hpp
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/*-------------------------------------------------------------------------------
Copyright (c) 2014,2015 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_SYSTEMS_SATURATED_VARIABLES_HPP
#define SPECMICP_REACTMICP_SYSTEMS_SATURATED_VARIABLES_HPP
#include "database.hpp"
#include "reactmicp/solver/staggers_base/variables_base.hpp"
#include "specmicp/adimensional/adimensional_system_solution.hpp"
#include <vector>
// forward declaration
// ===================
#include "dfpm/meshes/mesh1dfwd.hpp"
namespace specmicp {
namespace reactmicp {
namespace solver {
using VariablesBasePtr = std::shared_ptr<VariablesBase>;
}
namespace systems {
namespace satdiff {
class SaturatedVariablesFactory;
} // end namespace satdiff
} // end namespace systems
} // end namespace reactmicp
} // end namespace specmicp
// Class declaration
// =================
namespace specmicp {
namespace reactmicp {
namespace systems {
namespace satdiff {
//! \brief Variables for the saturated reactive transport system
//!
//! Contain all the variables that need to be shared between the staggers
class SaturatedVariables: public solver::VariablesBase
{
// SaturatedVariablesFactory should be the class to use to inialize
// the variables correctly
friend class SaturatedVariablesFactory;
public:
SaturatedVariables(mesh::Mesh1DPtr the_mesh,
RawDatabasePtr the_database);
//! \brief Return the mesh
mesh::Mesh1DPtr get_mesh() {return m_mesh;}
//! \brief Return the database
RawDatabasePtr get_database() {return m_database;}
//! \brief Return the number of components
index_t nb_component() {return m_database->nb_component();}
//! \brief Return the number of nodes
index_t nb_nodes() {return m_is_fixed_composition.size();}
//! \brief Return true if 'node' has a fixed composition
index_t is_fixed_composition(index_t node) {return m_is_fixed_composition[node];}
// Main variables
// ==============
//! \brief Return the main variable vector
Vector& displacement() {return m_displacement;}
//! \brief Return the main variable vector at the beginning of the timestep
Vector& predictor() {return m_predictor;}
//! \brief Return the velocity of the main variables
Vector& velocity() {return m_velocity;}
//! \brief Return the rate of change of the main variables due to the transport operator
Vector& transport_rate() {return m_transport_rate;}
//! \brief Return the rate of change of the main variables due to the chemistry operator
Vector& chemistry_rate() {return m_chemistry_rate;}
// Access to main variables
// ========================
//! \brief Return the number of degree of freedom (per node) in the main variables vector
index_t ndf() {return 2*m_database->nb_component();}
//! \brief Return the offset of 'node' in the main variables vector
index_t offset_node(index_t node) {return node*ndf();}
//! \brief Return the offset of the aqueous concentration variables in the main variables vector
index_t offset_aqueous_concentration() {return 0;}
//! \brief Return the offset of the aqueous concentrations variables in the main variables vector
index_t offset_aqueous_concentration(index_t node) {
return offset_aqueous_concentration()+offset_node(node);}
//! \brief Return the offset of the solid concentration variables in the main variables vector
index_t offset_solid_concentration() {return m_database->nb_component();}
//! \brief Return the offset of the solid concentrations variables in the main variables vector
index_t offset_solid_concentration(index_t node) {
return offset_solid_concentration()+offset_node(node);}
//! \brief Return the degree of freedom number for the aqueous concentration of 'component' at 'node'
index_t dof_aqueous_concentration(index_t node, index_t component) {
return (component + offset_aqueous_concentration(node));
}
//! \brief Return the degree of freedom number for the solid concentration of 'component' at 'node'
index_t dof_solid_concentration(index_t node, index_t component) {
return (component + offset_solid_concentration(node));
}
//! \brief Return the aqueous concentration of 'component' at 'node' in 'var'
//!
//! 'var' is any of the main variables vector, it may be a velocity vector
scalar_t& aqueous_concentration(index_t node, index_t component, Vector& var) {
return var(dof_aqueous_concentration(node, component));
}
//! \brief Return the aqueous concentration of 'component' at 'node' in main variables
//!
//! 'var' is any of the main variables vector, it may be a velocity vector
scalar_t& aqueous_concentration(index_t node, index_t component) {
return m_displacement(dof_aqueous_concentration(node, component));
}
//! \brief Return the solid concentration of 'component' at 'node' in 'var'
//!
//! 'var' is any of the main variables vector, it may be a velocity vector
scalar_t& solid_concentration(index_t node, index_t component, Vector& var){
return var(dof_solid_concentration(node, component));
}
//! \brief Return the solid concentration of 'component' at 'node' in main variables
//!
//! 'var' is any of the main variables vector, it may be a velocity vector
scalar_t& solid_concentration(index_t node, index_t component){
return m_displacement(dof_solid_concentration(node, component));
}
//! \brief Return a vector containing the total concentrations computed from the main variables
//!
//! This is to be used to restart the chemistry computation
Vector total_concentrations(index_t node);
// Equilibrium
// ===========
//! \brief Returh the solution of the speciation solver at 'node'
AdimensionalSystemSolution& equilibrium_solution(index_t node) {
return m_equilibrium_solutions[node];
}
// Upscaling
// =========
//! \brief Return the offset for 'node' in the upscaling variables vector
index_t offset_node_upscaling(index_t node) {return ndf_upscaling()*node;}
//! \brief Return the number fo degree of freedom (per node) for the upscaling vector
index_t ndf_upscaling() {return 5;}
//! \brief Return the degree of freedom for the porosity at 'node'
index_t dof_porosity(index_t node) {return 0 + offset_node_upscaling(node);}
//! \brief Return the degree of freedom of the porosity velocity at 'node'
index_t dof_vel_porosity(index_t node) {return 1 + offset_node_upscaling(node);}
//! \brief Return the degree of freedom of the diffusion coefficient at 'node'
index_t dof_diffusion_coefficient(index_t node) {return 2 + offset_node_upscaling(node);}
//! \brief Return the degree of freedom of the permeability at 'node'
index_t dof_permeability(index_t node) {return 3 + offset_node_upscaling(node);}
//! \brief Return the fluid velocity
index_t dof_fluid_velocity(index_t node) {return 4 + offset_node_upscaling(node);}
//! \brief Return the porosity at 'node'
scalar_t& porosity(index_t node) {return m_upscaling(dof_porosity(node));}
//! \brief Return the rate of change of the porosity at 'node'
scalar_t& vel_porosity(index_t node) {return m_upscaling(dof_vel_porosity(node));}
//! \brief Return the diffusion coefficient at 'node'
scalar_t& diffusion_coefficient(index_t node) {return m_upscaling(dof_diffusion_coefficient(node));}
//! \brief Return the permeability at 'node'
scalar_t& permeability(index_t node) {return m_upscaling(dof_permeability(node));}
//! \brief Return the fluid velocity at 'node'
scalar_t& fluid_velocity(index_t node) {return m_upscaling(dof_fluid_velocity(node));}
//! \brief Return the vector of upscaling variables
Vector& upscaling_variables() {return m_upscaling;}
//! \brief Reset the main variables
void reset_main_variables() override;
private:
// ############ //
// Attributes //
// ############ //
mesh::Mesh1DPtr m_mesh;
RawDatabasePtr m_database;
std::vector<bool> m_is_fixed_composition;
// Main variables
// ==============
Vector m_displacement;
Vector m_predictor;
Vector m_velocity;
Vector m_transport_rate;
Vector m_chemistry_rate;
// Equilibrium
// ===========
std::vector<AdimensionalSystemSolution> m_equilibrium_solutions;
// Upscaling
// =========
Vector m_upscaling;
};
//! \brief typedef of a shared pointer of a SaturatedVariables
using SaturatedVariablesPtr = std::shared_ptr<SaturatedVariables>;
// Casting function
// =================
//! \brief Static cast to a SaturatedVariablesPtr
inline SaturatedVariablesPtr cast_var_from_base(solver::VariablesBasePtr var)
{
return std::static_pointer_cast<SaturatedVariables>(var);
}
//! \brief Static cast from a SaturatedVariablesPtr
inline solver::VariablesBasePtr cast_var_to_base(SaturatedVariablesPtr var)
{
return std::static_pointer_cast<solver::VariablesBase>(var);
}
} // end namespace satdiff
} // end namespace systems
} // end namespace reactmicp
} // end namespace specmicp
#endif // SPECMICP_REACTMICP_SYSTEMS_SATURATED_VARIABLES_HPP
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