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specmicp/src/reactmicp/systems/unsaturated/variables_sub.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.
-----------------------------------------------------------------------------*/
//! \file unsaturated/variables_sub.hpp
//! \brief base structures for the variables
#ifndef SPECMICP_REACTMICP_UNSATURATED_VARIABLESSUB_HPP
#define SPECMICP_REACTMICP_UNSATURATED_VARIABLESSUB_HPP
#include "../../../types.hpp"
#include "../../../specmicp/adimensional/adimensional_system_solution.hpp"
#include "../../../utils/compat.hpp"
#include "../../../physics/constants.hpp"
#include "../../../physics/units.hpp"
#include <vector>
#include <memory>
namespace specmicp {
namespace reactmicp {
namespace systems {
namespace unsaturated {
//! \brief A simple variable
struct BaseVariable
{
Vector variable; //!< The variable
//! \brief Return value of the variable
scalar_t& operator() (index_t node) {
return variable(node);
}
//! \brief Return value of the variable
scalar_t operator() (index_t node) const {
return variable(node);
}
//! \brief Return the size of the vector
index_t size() const {
return variable.rows();
}
//! \brief The variables are all set to 'value'
void set_constant(scalar_t value) {
variable.setConstant(value);
}
//! \brief Set the variables to zero
void set_zero() {
variable.setZero();
}
//! \brief Build a variable of size 'size'
//!
//! The varaibles are initialized to zero
BaseVariable(index_t size):
variable(Vector::Zero(size))
{}
};
//! \brief A transient variable
//!
//! These type of variable store the rate of change of the variable (velocity)
//! and the value at the beginning of the timestep (predictor)
struct BaseTransientVariable:
public BaseVariable
{
Vector velocity; //!< Rate of change of the variable
Vector predictor; //!< Predictor, value before first iteration
BaseTransientVariable(index_t size):
BaseVariable(size),
velocity(Vector::Zero(size)),
predictor(Vector::Zero(size))
{}
//! \brief Update the variable
void update(scalar_t dt) {
variable = predictor + dt*velocity;
}
};
//! \brief A main variable, used to solve the governing equations
//!
//! These variables also store the chemistry and transport rates for the
//! coupling
struct MainVariable:
public BaseTransientVariable
{
//! \brief Transport fluxes of the corresponding governing equations
Vector transport_fluxes;
//! \brief Chemical exchange rate
Vector chemistry_rate;
MainVariable(index_t size):
BaseTransientVariable(size),
transport_fluxes(Vector::Zero(size)),
chemistry_rate(Vector::Zero(size))
{}
//! \brief Reset the variables
//!
//! This function is called if the solver failed and must be restarted
void reset() {
transport_fluxes.setZero();
chemistry_rate.setZero();
velocity.setZero();
variable = predictor;
}
};
//! \brief List of main variables
struct ListMainVariable
{
// Variables are stored as pointer so we can skip components
// that do not exist
// But still access their variables through their index
using value_type = std::unique_ptr<MainVariable>;
using vector_type = std::vector<value_type>;
using iterator = vector_type::iterator;
using const_iterator = vector_type::const_iterator;
vector_type variables;
MainVariable& water() {
return *variables[0];
}
MainVariable& aqueous_component(index_t aq_component) {
specmicp_assert(variables[aq_component] != nullptr);
return *variables[aq_component];
}
MainVariable& component(index_t component) {
specmicp_assert(variables[component] != nullptr);
return *variables[component];
}
MainVariable* operator() (index_t component) {
return variables[component].get();
}
// Implementations of the following methods
// is in variables.cpp
//! \brief Initialize the variables
ListMainVariable(index_t nb_vars, index_t nb_nodes);
//! \brief Initialize some variables
//!
//! Only initialize values given by 'to_init'
ListMainVariable(index_t nb_vars, index_t nb_nodes, std::vector<bool> to_init);
//! \brief Reset the variables
void reset();
//! \brief Hard reset, erase all info for a component;
void hard_reset(index_t component, index_t nb_nodes);
};
//! \brief A secondary variable
struct SecondaryVariable:
public BaseVariable
{
SecondaryVariable(index_t size):
BaseVariable(size)
{}
};
//! \brief A secondary transient variable
//!
//! e.g. the porosity
struct SecondaryTransientVariable:
public BaseTransientVariable
{
SecondaryTransientVariable(index_t size):
BaseTransientVariable(size)
{}
};
//! \brief The chemistry solutions
struct ChemistrySolutions
{
std::vector<AdimensionalSystemSolution> solutions;
ChemistrySolutions(index_t size):
solutions(size)
{}
//! \brief Return a solution
AdimensionalSystemSolution& solution(index_t node) {
return solutions[node];
}
//! \brief Return a const solution
const AdimensionalSystemSolution& solution(index_t node) const {
return solutions[node];
}
//! \brief Set a solution
void update_solution(
index_t node,
const AdimensionalSystemSolution& new_solution
) {
solutions[node] = new_solution;
}
};
//! \brief List of constants used in the problems
struct ConstantBox
{
//! \brief R*T
//!
//! R : ideal gas constant
//! T : temperature
scalar_t rt {constants::gas_constant*units::celsius(25.0)};
//! \brief Viscosity of liquid water
scalar_t viscosity_liquid_water {constants::water_viscosity};
//! \brief Total pressure
scalar_t total_pressure {1.01325e5};
//! \brief Scale the constants
void scale(units::LengthUnit length_unit);
};
} //end namespace unsaturated
} //end namespace systems
} //end namespace reactmicp
} //end namespace specmicp
#endif // SPECMICP_REACTMICP_UNSATURATED_VARIABLESSUB_HPP
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