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 "AddFunctionAction.h"
      13             : #include "CommonChemicalCompositionAction.h"
      14             : 
      15             : /**
      16             :  * The ChemicalCompositionAction sets up user objects, aux kernels, and aux variables
      17             :  * for a thermochemistry calculation using Thermochimica.
      18             :  */
      19             : class ChemicalCompositionAction : public Action
      20             : {
      21             : public:
      22             :   static InputParameters validParams();
      23             :   ChemicalCompositionAction(const InputParameters & params);
      24             : 
      25         242 :   const std::vector<unsigned int> & elementIDs() const { return _element_ids; }
      26             : 
      27         242 :   const std::vector<std::string> & phases() const { return _phases; }
      28             :   const std::vector<std::string> & elementPotentials() const
      29             :   {
      30         242 :     return _tokenized_element_potentials;
      31             :   }
      32             : 
      33             :   const std::vector<std::pair<std::string, std::string>> & speciesPhasePairs() const
      34             :   {
      35         242 :     return _tokenized_species;
      36             :   }
      37             : 
      38             :   const std::vector<std::pair<std::string, std::string>> & vaporPhasePairs() const
      39             :   {
      40         242 :     return _tokenized_vapor_species;
      41             :   }
      42             : 
      43             :   const std::vector<std::pair<std::string, std::string>> & phaseElementPairs() const
      44             :   {
      45         242 :     return _tokenized_phase_elements;
      46             :   }
      47             : 
      48             :   virtual void act();
      49             : 
      50             : protected:
      51             :   void readCSV();
      52             : 
      53             :   /// Element names
      54             :   std::vector<std::string> _elements;
      55             : 
      56             :   /// Initial conditions for each element: [element name] => initial condition value
      57             :   std::map<std::string, Real> _initial_conditions;
      58             : 
      59             :   /// List of phases tracked by Thermochimica
      60             :   std::vector<std::string> _phases;
      61             : 
      62             :   /// Atomic numbers of the selected elements
      63             :   std::vector<unsigned int> _element_ids;
      64             : 
      65             :   /// Tokenized versions of the output variables to avoid redoing tokenization
      66             :   std::vector<std::pair<std::string, std::string>> _tokenized_species;
      67             :   std::vector<std::string> _tokenized_element_potentials;
      68             :   std::vector<std::pair<std::string, std::string>> _tokenized_vapor_species;
      69             :   std::vector<std::pair<std::string, std::string>> _tokenized_phase_elements;
      70             : };