Revision a2a002c2fa4183fbde30a92d2aeb6c106a927860 authored by Dmitry Yu. Naumov on 02 July 2021, 12:23:31 UTC, committed by Dmitry Yu. Naumov on 02 July 2021, 12:23:31 UTC
[ci] Enable mfront on mac See merge request ogs/ogs!3671
ChemicalSystem.cpp
/**
* \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
*
*/
#include "ChemicalSystem.h"
#include "AqueousSolution.h"
#include "MathLib/LinAlg/MatrixVectorTraits.h"
#include "MathLib/LinAlg/UnifiedMatrixSetters.h"
namespace ChemistryLib
{
namespace PhreeqcIOData
{
void ChemicalSystem::initialize(std::size_t const num_chemical_systems)
{
aqueous_solution->pH =
MathLib::MatrixVectorTraits<GlobalVector>::newInstance(
num_chemical_systems);
aqueous_solution->pe->resize(num_chemical_systems);
std::fill(aqueous_solution->pe->begin(), aqueous_solution->pe->end(),
aqueous_solution->pe0);
auto& components = aqueous_solution->components;
for (auto& component : components)
{
component.amount =
MathLib::MatrixVectorTraits<GlobalVector>::newInstance(
num_chemical_systems);
}
for (auto& kinetic_reactant : kinetic_reactants)
{
kinetic_reactant.molality->resize(num_chemical_systems);
kinetic_reactant.molality_prev->resize(num_chemical_systems);
kinetic_reactant.volume_fraction->resize(num_chemical_systems);
kinetic_reactant.volume_fraction_prev->resize(num_chemical_systems);
}
for (auto& equilibrium_reactant : equilibrium_reactants)
{
equilibrium_reactant.molality->resize(num_chemical_systems);
equilibrium_reactant.molality_prev->resize(num_chemical_systems);
equilibrium_reactant.volume_fraction->resize(num_chemical_systems);
equilibrium_reactant.volume_fraction_prev->resize(num_chemical_systems);
}
}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
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