Line data    Source code

       1             : //* This file is part of the MOOSE framework
       2             : //* https://mooseframework.inl.gov
       3             : //*
       4             : //* All rights reserved, see COPYRIGHT for full restrictions
       5             : //* https://github.com/idaholab/moose/blob/master/COPYRIGHT
       6             : //*
       7             : //* Licensed under LGPL 2.1, please see LICENSE for details
       8             : //* https://www.gnu.org/licenses/lgpl-2.1.html
       9             : 
      10             : #pragma once
      11             : 
      12             : #include "GeochemicalModelDefinition.h"
      13             : #include "GeochemicalSystem.h"
      14             : #include "NodalUserObject.h"
      15             : 
      16             : /**
      17             :  * Base class that controls the spatio-temporal solution of geochemistry reactions
      18             :  */
      19             : class GeochemistryReactorBase : public NodalUserObject
      20             : {
      21             : public:
      22             :   /// contains params that are shared with AddGeochemistrySolverAction and its children
      23             :   static InputParameters sharedParams();
      24             : 
      25             :   static InputParameters validParams();
      26             :   GeochemistryReactorBase(const InputParameters & parameters);
      27           0 :   virtual void initialize() override {}
      28        1476 :   virtual void threadJoin(const UserObject & /*uo*/) override {}
      29           0 :   virtual void finalize() override {}
      30           0 :   virtual void execute() override {}
      31             : 
      32             :   /**
      33             :    * @return a reference to the equilibrium geochemical system at the given node
      34             :    * @param node_id the ID of the node
      35             :    */
      36             :   virtual const GeochemicalSystem & getGeochemicalSystem(dof_id_type node_id) const = 0;
      37             : 
      38             :   /**
      39             :    * @return a reference to the most recent solver output (containing iteration info, swap info,
      40             :    * residuals, etc) at the specified node_id
      41             :    * @param node_id the node ID
      42             :    */
      43             :   virtual const std::stringstream & getSolverOutput(dof_id_type node_id) const = 0;
      44             : 
      45             :   /**
      46             :    * @return the total number of iterations used by the most recent solve at the specified node_id
      47             :    * @param node_id the node ID
      48             :    */
      49             :   virtual unsigned getSolverIterations(dof_id_type node_id) const = 0;
      50             : 
      51             :   /**
      52             :    * @return the L1norm of the residual at the end of the most recent solve at the specified node_id
      53             :    * @param node_id the node ID
      54             :    */
      55             :   virtual Real getSolverResidual(dof_id_type node_id) const = 0;
      56             : 
      57             :   /**
      58             :    * @return the mole additions (the first num_basis of these are additions to the bulk composition
      59             :    * of the equilibrium system, the last num_kin of these are -dt*kinetic_reaction_rate, ie
      60             :    * dt*dissolution_rate) at the specified node_id
      61             :    * @param node_id the node ID
      62             :    */
      63             :   virtual const DenseVector<Real> & getMoleAdditions(dof_id_type node_id) const = 0;
      64             : 
      65             :   /**
      66             :    * @return the moles dumped of the given species at the specified node_id
      67             :    * @param species the name of the species
      68             :    * @param node_id the node ID
      69             :    */
      70             :   virtual Real getMolesDumped(dof_id_type node_id, const std::string & species) const = 0;
      71             : 
      72             :   /// returns a reference to the PertinentGeochemicalSystem used to creat the ModelGeochemicalDatabase
      73      764619 :   const PertinentGeochemicalSystem & getPertinentGeochemicalSystem() const { return _pgs; };
      74             : 
      75             : protected:
      76             :   /// Number of nodes handled by this processor (will need to be made un-const when mesh adaptivity is handled)
      77             :   const unsigned _num_my_nodes;
      78             :   /// my copy of the underlying ModelGeochemicalDatabase
      79             :   ModelGeochemicalDatabase _mgd;
      80             :   /// Reference to the original PertinentGeochemicalSystem used to create the ModelGeochemicalDatabase
      81             :   const PertinentGeochemicalSystem & _pgs;
      82             :   /// number of basis species
      83             :   const unsigned _num_basis;
      84             :   /// number of equilibrium species
      85             :   const unsigned _num_eqm;
      86             :   /// Initial value of maximum ionic strength
      87             :   const Real _initial_max_ionic_str;
      88             :   /// The ionic strength calculator
      89             :   GeochemistryIonicStrength _is;
      90             :   /// The activity calculator
      91             :   GeochemistryActivityCoefficientsDebyeHuckel _gac;
      92             :   /// Maximum number of swaps allowed during a single solve
      93             :   const unsigned _max_swaps_allowed;
      94             :   /// The species swapper
      95             :   GeochemistrySpeciesSwapper _swapper;
      96             :   /// A small value of molality
      97             :   const Real _small_molality;
      98             :   /// The solver output at each node
      99             :   std::vector<std::stringstream> _solver_output;
     100             :   /// Number of iterations used by the solver at each node
     101             :   std::vector<unsigned> _tot_iter;
     102             :   /// L1norm of the solver residual at each node
     103             :   std::vector<Real> _abs_residual;
     104             : };