EquilibriumReactant.h
/**
* \file
* \copyright
* Copyright (c) 2012-2021, OpenGeoSys Community (http://www.opengeosys.org)
* Distributed under a Modified BSD License.
* See accompanying file LICENSE.txt or
* http://www.opengeosys.org/project/license
*
*/
#pragma once
#include <iosfwd>
#include <string>
#include <vector>
#include "MeshLib/PropertyVector.h"
#include "Output.h"
namespace BaseLib
{
class ConfigTree;
}
namespace ChemistryLib
{
namespace PhreeqcIOData
{
struct EquilibriumReactant
{
EquilibriumReactant(std::string name_,
MeshLib::PropertyVector<double>* molality_,
MeshLib::PropertyVector<double>* molality_prev_,
MeshLib::PropertyVector<double>* volume_fraction_,
MeshLib::PropertyVector<double>* volume_fraction_prev_,
MeshLib::PropertyVector<double>* mesh_prop_molality_,
double saturation_index_,
std::string reaction_irreversibility_)
: name(std::move(name_)),
molality(molality_),
molality_prev(molality_prev_),
volume_fraction(volume_fraction_),
volume_fraction_prev(volume_fraction_prev_),
mesh_prop_molality(mesh_prop_molality_),
saturation_index(saturation_index_),
reaction_irreversibility(std::move(reaction_irreversibility_))
{
}
void print(std::ostream& os, std::size_t const chemical_system_id) const;
std::string const name;
MeshLib::PropertyVector<double>* molality;
MeshLib::PropertyVector<double>* molality_prev;
MeshLib::PropertyVector<double>* volume_fraction;
MeshLib::PropertyVector<double>* volume_fraction_prev;
MeshLib::PropertyVector<double>* mesh_prop_molality;
double const saturation_index;
std::string const reaction_irreversibility;
static const ItemType item_type = ItemType::EquilibriumReactant;
};
} // namespace PhreeqcIOData
} // namespace ChemistryLib