Add read_reaction_set_data API

This one takes a pointer to a ParserBase object and then does the read. Slight refactoring of existing function to reuse existing capability. Really, this should just all be in the ParserBase and XMLParser classes, but until we address libantioch#260, we're stuck with this simple change/(gross) API extension.
pbauman · Jul 10, 2018 · 626d4ce · 626d4ce
1 parent fdedca7
commit 626d4ce
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Showing 2 changed files with 24 additions and 5 deletions.
diff --git a/src/parsing/include/antioch/read_reaction_set_data.h b/src/parsing/include/antioch/read_reaction_set_data.h
@@ -40,6 +40,9 @@
 namespace Antioch
 {
 
+  template <typename NumericType>
+  class ParserBase;
+
   template <typename NumericType>
   class ASCIIParser;
 
@@ -128,6 +131,12 @@ namespace Antioch
                               ReactionSet<NumericType>& reaction_set,
                               ParsingType type = ASCII );
 
+  template<typename NumericType>
+  void read_reaction_set_data(const std::string &filename,
+                              const bool verbose,
+                              ReactionSet<NumericType>& reaction_set,
+                              ParserBase<NumericType> * parser );
+
   template <typename NumericType>
   void verify_unit_of_parameter(Units<NumericType> & default_unit, const std::string & provided_unit,
                                  const std::vector<std::string> & accepted_unit,

diff --git a/src/parsing/src/read_reaction_set_data.C b/src/parsing/src/read_reaction_set_data.C
@@ -95,8 +95,21 @@ namespace Antioch
         antioch_parsing_error("unknown type");
       }
 
+    read_reaction_set_data(filename,verbose,reaction_set,parser);
+
+    if(parser)
+      delete parser;
+  }
+
+  template<typename NumericType>
+  void read_reaction_set_data( const std::string& filename,
+                               const bool verbose,
+                               ReactionSet<NumericType>& reaction_set,
+                               ParserBase<NumericType> * parser )
+  {
     //error or no reaction data
-    if(!parser->initialize())return;
+    if(!parser->initialize())
+      return;
 
     const ChemicalMixture<NumericType>& chem_mixture = reaction_set.chemical_mixture();
     unsigned int n_species = chem_mixture.n_species();
@@ -414,7 +427,7 @@ namespace Antioch
                     my_rxn->type() == ReactionType::TROE_FALLOFF_THREE_BODY)
                   )
                   {
-                    
+
                     std::cerr << "In reaction " << parser->reaction_id() << "\n"
                               << "An equation of the form \"A * exp(-Ea/(R*T))\" is an Arrhenius equation,\n"
                               << "and most certainly not a Kooij one\n"
@@ -743,9 +756,6 @@ namespace Antioch
 
         if(verbose) std::cout << "\n\n";
       }
-
-    if(parser)
-      delete parser;
   }
 
   // Instantiate