GeochemistryReactorBase.h

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//* This file is part of the MOOSE framework
//* https://mooseframework.inl.gov
//*
//* All rights reserved, see COPYRIGHT for full restrictions
//* https://github.com/idaholab/moose/blob/master/COPYRIGHT
//*
//* Licensed under LGPL 2.1, please see LICENSE for details
//* https://www.gnu.org/licenses/lgpl-2.1.html

#pragma once

#include "GeochemicalModelDefinition.h"
#include "GeochemicalSystem.h"
#include "NodalUserObject.h"

class GeochemistryReactorBase : public NodalUserObject
{
public:
  static InputParameters sharedParams();

  static InputParameters validParams();
  GeochemistryReactorBase(const InputParameters & parameters);
  virtual void initialize() override {}
  virtual void threadJoin(const UserObject & /*uo*/) override {}
  virtual void finalize() override {}
  virtual void execute() override {}

  virtual const GeochemicalSystem & getGeochemicalSystem(dof_id_type node_id) const = 0;

  virtual const std::stringstream & getSolverOutput(dof_id_type node_id) const = 0;

  virtual unsigned getSolverIterations(dof_id_type node_id) const = 0;

  virtual Real getSolverResidual(dof_id_type node_id) const = 0;

  virtual const DenseVector<Real> & getMoleAdditions(dof_id_type node_id) const = 0;

  virtual Real getMolesDumped(dof_id_type node_id, const std::string & species) const = 0;

  const PertinentGeochemicalSystem & getPertinentGeochemicalSystem() const { return _pgs; };

protected:
  const unsigned _num_my_nodes;
  ModelGeochemicalDatabase _mgd;
  const PertinentGeochemicalSystem & _pgs;
  const unsigned _num_basis;
  const unsigned _num_eqm;
  const Real _initial_max_ionic_str;
  GeochemistryIonicStrength _is;
  GeochemistryActivityCoefficientsDebyeHuckel _gac;
  const unsigned _max_swaps_allowed;
  GeochemistrySpeciesSwapper _swapper;
  const Real _small_molality;
  std::vector<std::stringstream> _solver_output;
  std::vector<unsigned> _tot_iter;
  std::vector<Real> _abs_residual;
};