Revision 3f5907724a10406ca92487ad57266455393c9305 authored by Lars Bilke on 15 December 2020, 20:22:42 UTC, committed by Lars Bilke on 15 December 2020, 21:18:36 UTC
1 parent 765a54e
KineticReactant.h
/**
* \file
* \copyright
* Copyright (c) 2012-2020, 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 <boost/optional/optional.hpp>
#include <iosfwd>
#include <string>
#include <vector>
#include "MeshLib/PropertyVector.h"
#include "Output.h"
namespace ChemistryLib
{
namespace PhreeqcIOData
{
struct KineticReactant
{
KineticReactant(std::string name_,
std::string chemical_formula_,
MeshLib::PropertyVector<double>* amount_,
MeshLib::PropertyVector<double>* amount_avg_,
double const initial_amount_,
std::vector<double>&& parameters_,
bool const fix_amount_)
: name(std::move(name_)),
chemical_formula(std::move(chemical_formula_)),
amount(amount_),
amount_avg(amount_avg_),
initial_amount(initial_amount_),
parameters(std::move(parameters_)),
fix_amount(fix_amount_)
{
}
void print(std::ostream& os, std::size_t const global_id) const;
std::string const name;
std::string const chemical_formula;
MeshLib::PropertyVector<double>* amount;
MeshLib::PropertyVector<double>* amount_avg;
double const initial_amount;
std::vector<double> const parameters;
bool const fix_amount;
static const ItemType item_type = ItemType::KineticReactant;
};
} // namespace PhreeqcIOData
} // namespace ChemistryLib
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