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 "nlohmann/json.h"
      13             : #include "MooseTypes.h"
      14             : 
      15             : /**
      16             :  * Class for validating MOOSE geochemical database
      17             :  */
      18          12 : class GeochemicalDatabaseValidator
      19             : {
      20             : public:
      21             :   GeochemicalDatabaseValidator(const FileName filename, const nlohmann::json & db);
      22             : 
      23             :   /**
      24             :    * Validate the thermodynamic database
      25             :    */
      26             :   void validate();
      27             : 
      28             : protected:
      29             :   /**
      30             :    * Check Json::Value can be converted to a Real
      31             :    * @param array array of values
      32             :    * @return true/false if the value can/cannot be converted to a Real
      33             :    */
      34             :   bool isValueReal(const nlohmann::json & value) const;
      35             : 
      36             :   /**
      37             :    * Check Json::Value array is comprised of Reals
      38             :    * @param array array of values
      39             :    * @param field database field name
      40             :    */
      41             :   void checkArrayValues(const nlohmann::json & array, const std::string field) const;
      42             : 
      43             :   /**
      44             :    * Check array array values can be converted to Real
      45             :    * @param type species type (basis, secondary, etc)
      46             :    * @param species species name
      47             :    * @param field name of array values to check
      48             :    */
      49             :   void checkArrayValues(const std::string type,
      50             :                         const std::string species,
      51             :                         const std::string field) const;
      52             : 
      53             :   /**
      54             :    * Check Json::Value array is the correct size
      55             :    * @param array array of values
      56             :    * @param field database field name
      57             :    */
      58             :   void checkArraySize(const nlohmann::json & array, const std::string field) const;
      59             : 
      60             :   /**
      61             :    * Check array is the correct size
      62             :    * @param type species type (basis, secondary, etc)
      63             :    * @param species species name
      64             :    * @param field name of array values to check
      65             :    */
      66             :   void
      67             :   checkArraySize(const std::string type, const std::string species, const std::string field) const;
      68             : 
      69             :   /**
      70             :    * Check fields are present in the Header section
      71             :    * @param field name of field to check
      72             :    */
      73             :   void checkHeaderField(const std::string field) const;
      74             : 
      75             :   /**
      76             :    * Check arrays in field can be converted to Reals
      77             :    * @param field name of field to check
      78             :    */
      79             :   void checkHeaderArray(const std::string field) const;
      80             : 
      81             :   /**
      82             :    * Check elements in the database
      83             :    * Each elemenent should have a real number as their molecular weights
      84             :    * @param element element name
      85             :    */
      86             :   void checkElements(const std::string element) const;
      87             : 
      88             :   /**
      89             :    * Check basis species in the database
      90             :    * Each basis species should have a real number as their molecular weights, charge, radius
      91             :    * and weight for each element
      92             :    * @param species basis species name
      93             :    */
      94             :   void checkBasisSpecies(const std::string species) const;
      95             : 
      96             :   /**
      97             :    * Check secondary species in the database
      98             :    * Each secondary species should have a real number as their molecular weights, charge, radius,
      99             :    * equilibrium constants and weight for each basis species
     100             :    * @param species secondary species name
     101             :    */
     102             :   void checkSecondarySpecies(const std::string species) const;
     103             : 
     104             :   /**
     105             :    * Check mineral species in the database
     106             :    * Each mineral species should have a real number as their molecular weights, volume,
     107             :    * equilibrium constants and weight for each basis species
     108             :    * @param species mineral species name
     109             :    */
     110             :   void checkMineralSpecies(const std::string species) const;
     111             : 
     112             :   /**
     113             :    * Check sorbing mineral species in the database
     114             :    * Each sorbing mineral species should have a real number as their surface area,
     115             :    * equilibrium constants and weight for each sorbing site
     116             :    * @param species sorbing mineral species name
     117             :    */
     118             :   void checkSorbingMineralSpecies(const std::string species) const;
     119             : 
     120             :   /**
     121             :    * Check gas species in the database
     122             :    * Each gas species should have a real number as their molecular weights,
     123             :    * equilibrium constants, weight for each basis species, and fugacity values
     124             :    * @param species gas species name
     125             :    */
     126             :   void checkGasSpecies(const std::string species) const;
     127             : 
     128             :   /**
     129             :    * Check redox couple species in the database
     130             :    * Each redox couple species should have a real number as their molecular weights, charge, radius,
     131             :    * equilibrium constants and weight for each basis species
     132             :    * @param species redox couple species name
     133             :    */
     134             :   void checkRedoxSpecies(const std::string species) const;
     135             : 
     136             :   /**
     137             :    * Check oxide species in the database
     138             :    * Each oxide species should have a real number as their molecular weights
     139             :    * and weight for each basis species
     140             :    * @param species oxide species name
     141             :    */
     142             :   void checkOxideSpecies(const std::string species) const;
     143             : 
     144             :   /**
     145             :    * Check surface species in the database
     146             :    * Each surface species should have a real number as their molecular weights, charge,
     147             :    * and equilibrium constants
     148             :    * @param species surface species name
     149             :    */
     150             :   void checkSurfaceSpecies(const std::string species) const;
     151             : 
     152             :   /**
     153             :    * Check given species field value can be converted to a Real
     154             :    * @param type species type (basis, secondary, etc)
     155             :    * @param species species name
     156             :    * @param field value to check
     157             :    */
     158             :   void checkSpeciesValue(const std::string type,
     159             :                          const std::string species,
     160             :                          const std::string field) const;
     161             : 
     162             :   /**
     163             :    * Check given species stoichiometric weigth values can be converted to a Real
     164             :    * @param type species type (basis, secondary, etc)
     165             :    * @param species species name
     166             :    * @param field name of values to check
     167             :    */
     168             :   void checkSpeciesWeightValue(const std::string type,
     169             :                                const std::string species,
     170             :                                const std::string field) const;
     171             : 
     172             :   /// Database filename
     173             :   const FileName _filename;
     174             :   /// JSON database
     175             :   const nlohmann::json & _root;
     176             :   /// Number of temperature points
     177             :   unsigned int _temperature_size;
     178             : };