GeochemistryTimeDependentReactor.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 "GeochemicalSolver.h"
#include "GeochemistryReactorBase.h"

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

  static InputParameters validParams();
  GeochemistryTimeDependentReactor(const InputParameters & parameters);
  virtual void initialize() override;

  virtual void finalize() override;

  virtual void initialSetup() override;
  virtual void execute() override;

  virtual const GeochemicalSystem & getGeochemicalSystem(dof_id_type node_id) const override;
  virtual const std::stringstream & getSolverOutput(dof_id_type node_id) const override;
  virtual unsigned getSolverIterations(dof_id_type node_id) const override;
  virtual Real getSolverResidual(dof_id_type node_id) const override;
  virtual const DenseVector<Real> & getMoleAdditions(dof_id_type node_id) const override;
  virtual Real getMolesDumped(dof_id_type node_id, const std::string & species) const override;

protected:
  const VariableValue & _temperature;
  const VariableValue & _cold_temperature;
  const unsigned _heating_increments;
  Real _new_temperature;
  Real _previous_temperature;
  GeochemicalSystem _egs;
  GeochemicalSolver _solver;
  const unsigned _num_kin;
  const Real _close_system_at_time;
  bool _closed_system;
  const std::vector<std::string> _source_species_names;
  const unsigned _num_source_species;
  const std::vector<const VariableValue *> _source_species_rates;
  const std::vector<std::string> _remove_fixed_activity_name;
  const std::vector<Real> _remove_fixed_activity_time;
  const unsigned _num_removed_fixed;
  std::vector<bool> _removed_fixed_activity;
  const std::vector<std::string> _controlled_activity_species_names;
  const unsigned _num_controlled_activity;
  const std::vector<const VariableValue *> _controlled_activity_species_values;
  DenseVector<Real> _mole_additions;
  DenseMatrix<Real> _dmole_additions;
  const VariableValue & _mode;
  std::unordered_map<std::string, Real> _minerals_dumped;
  const unsigned _ramp_subsequent;

  Real newTemperature(const DenseVector<Real> & mole_additions) const;

  void preSolveDump();

  void preSolveFlush();

  void postSolveFlowThrough();

  void removeCurrentSpecies();

  void postSolveExchanger();
};