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
CreateKineticReactant.cpp
/**
* \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
*
*/
#include <boost/optional/optional.hpp>
#include "BaseLib/ConfigTree.h"
#include "CreateKineticReactant.h"
#include "KineticReactant.h"
#include "MeshLib/Mesh.h"
namespace ChemistryLib
{
namespace PhreeqcIOData
{
std::vector<KineticReactant> createKineticReactants(
boost::optional<BaseLib::ConfigTree> const& config, MeshLib::Mesh& mesh)
{
if (!config)
{
return {};
}
std::vector<KineticReactant> kinetic_reactants;
for (
auto const& reactant_config :
//! \ogs_file_param{prj__chemical_system__kinetic_reactants__kinetic_reactant}
config->getConfigSubtreeList("kinetic_reactant"))
{
//! \ogs_file_param{prj__chemical_system__kinetic_reactants__kinetic_reactant__name}
auto name = reactant_config.getConfigParameter<std::string>("name");
auto chemical_formula =
//! \ogs_file_param{prj__chemical_system__kinetic_reactants__kinetic_reactant__chemical_formula}
reactant_config.getConfigParameter<std::string>("chemical_formula",
"");
double const initial_amount =
//! \ogs_file_param{prj__chemical_system__kinetic_reactants__kinetic_reactant__initial_amount}
reactant_config.getConfigParameter<double>("initial_amount");
auto parameters =
//! \ogs_file_param{prj__chemical_system__kinetic_reactants__kinetic_reactant__parameters}
reactant_config.getConfigParameter<std::vector<double>>(
"parameters", {});
bool const fix_amount =
//! \ogs_file_param{prj__chemical_system__kinetic_reactants__kinetic_reactant__fix_amount}
reactant_config.getConfigParameter<bool>("fix_amount", false);
auto amount = MeshLib::getOrCreateMeshProperty<double>(
mesh, name, MeshLib::MeshItemType::IntegrationPoint, 1);
auto mesh_prop_amount = MeshLib::getOrCreateMeshProperty<double>(
mesh, name + "_avg", MeshLib::MeshItemType::Cell, 1);
mesh_prop_amount->resize(mesh.getNumberOfElements());
if (chemical_formula.empty() && fix_amount)
{
OGS_FATAL(
"fix_amount can only be used if a chemical_formula has been "
"defined");
}
kinetic_reactants.emplace_back(std::move(name),
std::move(chemical_formula),
amount,
mesh_prop_amount,
initial_amount,
std::move(parameters),
fix_amount);
}
return kinetic_reactants;
}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
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