Updating mg table

njoy · May 9, 2024 · ce7ff4f · ce7ff4f
1 parent 2bfc44a
commit ce7ff4f
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Showing 7 changed files with 77 additions and 5 deletions.
diff --git a/python/src/MultigroupTable.python.cpp b/python/src/MultigroupTable.python.cpp
@@ -17,6 +17,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
   using Metadata = njoy::NDItk::multigroup::Metadata;
   using EnergyGroupStructure = njoy::NDItk::multigroup::EnergyGroupStructure;
   using FluxWeights = njoy::NDItk::multigroup::FluxWeights;
+  using TotalCrossSection = njoy::NDItk::multigroup::TotalCrossSection;
   using ReactionCrossSections = njoy::NDItk::multigroup::ReactionCrossSections;
   using AverageFissionEnergyRelease = njoy::NDItk::multigroup::AverageFissionEnergyRelease;
 
@@ -39,13 +40,14 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
                   EnergyGroupStructure,
                   std::vector< EnergyGroupStructure >,
                   FluxWeights,
+                  TotalCrossSection,
                   ReactionCrossSections,
                   std::optional< AverageFissionEnergyRelease > >(),
     python::arg( "zaid" ), python::arg( "libname" ), python::arg( "source" ),
     python::arg( "process" ), python::arg( "awr" ), python::arg( "weight" ),
     python::arg( "temperature" ), python::arg( "dilution" ),
     python::arg( "structure" ), python::arg( "outgoing" ),
-    python::arg( "flux" ), python::arg( "xs" ),
+    python::arg( "flux" ), python::arg( "total" ), python::arg( "xs" ),
     python::arg( "release" ) = std::nullopt,
     "Initialise the table\n\n"
     "Arguments:\n"
@@ -62,6 +64,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     "    structure      the primary group structure\n"
     "    outgoing       the outgoing particle group structures\n"
     "    flux           the flux weights\n"
+    "    total          the total cross section\n"
     "    xs             the reaction cross section data\n"
     "    release        the average fission energy release data"
   )
@@ -99,6 +102,12 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     &Table::reactionCrossSections,
     "The reaction cross section record"
   )
+  .def_property_readonly(
+
+    "total_cross_section",
+    &Table::totalCrossSection,
+    "The total cross section record"
+  )
   .def_property_readonly(
 
     "average_fission_energy_release",

diff --git a/python/test/Test_NDItk_MultigroupTable.py b/python/test/Test_NDItk_MultigroupTable.py
@@ -8,6 +8,7 @@
 from NDItk.multigroup import AverageFissionEnergyRelease
 from NDItk.multigroup import EnergyGroupStructure
 from NDItk.multigroup import FluxWeights
+from NDItk.multigroup import TotalCrossSection
 from NDItk.multigroup import ReactionCrossSections
 from NDItk.multigroup import CrossSection
 
@@ -71,6 +72,17 @@ def verify_chunk( self, chunk ) :
             self.assertAlmostEqual( 0.04, flux.weights[5] )
             self.assertAlmostEqual( 0.06, flux.weights[6] )
 
+            # verify content - total cross section
+            total = chunk.total_cross_section
+            self.assertEqual( 7, total.number_groups )
+            self.assertAlmostEqual( 1.10, total.values[0] )
+            self.assertAlmostEqual( 1.20, total.values[1] )
+            self.assertAlmostEqual( 1.25, total.values[2] )
+            self.assertAlmostEqual( 1.05, total.values[3] )
+            self.assertAlmostEqual( 1.15, total.values[4] )
+            self.assertAlmostEqual( 1.04, total.values[5] )
+            self.assertAlmostEqual( 1.06, total.values[6] )
+
             # verify content - reaction cross sections
             reactions = chunk.reaction_cross_sections
             self.assertEqual( 2, reactions.number_reactions )
@@ -137,6 +149,7 @@ def verify_chunk( self, chunk ) :
                                  outgoing = [ EnergyGroupStructure( 0, [ 20., 10., 5, 1e-11 ] ),
                                               EnergyGroupStructure( 1001, [ 20., 10., 1e-11 ] )],
                                  flux = FluxWeights( [ 0.1, 0.2, 0.25, 0.05, 0.15, 0.04, 0.06 ] ),
+                                 total = TotalCrossSection( [ 1.1, 1.2, 1.25, 1.05, 1.15, 1.04, 1.06 ] ),
                                  xs = ReactionCrossSections(
                                           xs = [ CrossSection( 2, 0., [ 10., 20., 30., 40., 50., 60., 70. ] ),
                                                  CrossSection( 16, 1.1234567, [ 1., 2., 3., 4., 5., 6., 7. ] ) ] ),

diff --git a/src/NDItk/MultigroupTable.hpp b/src/NDItk/MultigroupTable.hpp
@@ -9,6 +9,7 @@
 #include "NDItk/multigroup/EnergyGroupStructure.hpp"
 #include "NDItk/multigroup/FluxWeights.hpp"
 #include "NDItk/multigroup/ReactionCrossSections.hpp"
+#include "NDItk/multigroup/TotalCrossSection.hpp"
 #include "NDItk/multigroup/AverageFissionEnergyRelease.hpp"
 
 namespace njoy {
@@ -26,6 +27,7 @@ class MultigroupTable {
   std::vector< multigroup::EnergyGroupStructure > outgoing_structure_;
   multigroup::FluxWeights weights_;
   multigroup::ReactionCrossSections xs_;
+  multigroup::TotalCrossSection total_;
   multigroup::AverageFissionEnergyRelease release_;
 
   /* auxiliary functions */
@@ -82,6 +84,14 @@ class MultigroupTable {
    */
   const multigroup::FluxWeights& flux() const { return this->weights_; }
 
+  /**
+   *  @brief Return the total cross section record
+   */
+  const multigroup::TotalCrossSection& totalCrossSection() const {
+
+    return this->total_;
+  }
+
   /**
    *  @brief Return the reaction cross section record
    */
@@ -113,6 +123,7 @@ class MultigroupTable {
     this->primary_structure_.print( iter );
     for ( const auto& entry : this->outgoing_structure_ ) { entry.print( iter ); }
     this->weights_.print( iter );
+    this->total_.print( iter );
     this->xs_.print( iter );
     this->release_.print( iter );
     base::Keyword( "end" ).print( iter );

diff --git a/src/NDItk/MultigroupTable/src/ctor.hpp b/src/NDItk/MultigroupTable/src/ctor.hpp
@@ -2,8 +2,8 @@
  *  @brief Default constructor
  */
 MultigroupTable() :
-  metadata_(), primary_structure_(), outgoing_structure_(), weights_(), xs_(),
-  release_() {}
+  metadata_(), primary_structure_(), outgoing_structure_(), weights_(),
+  total_(), xs_(), release_() {}
 
 /**
  *  @brief Constructor
@@ -20,6 +20,7 @@ MultigroupTable() :
  *  @param[in] structure      the primary group structure
  *  @param[in] outgoing       the outgoing particle group structures
  *  @param[in] weights        the flux weights
+ *  @param[in] total          the total cross section
  *  @param[in] xs             the reaction cross section data
  *  @param[in] release        the average fission energy release data
  */
@@ -29,6 +30,7 @@ MultigroupTable( std::string zaid, std::string libname, std::string source,
                  multigroup::EnergyGroupStructure structure,
                  std::vector< multigroup::EnergyGroupStructure > outgoing,
                  multigroup::FluxWeights weigths,
+                 multigroup::TotalCrossSection total,
                  multigroup::ReactionCrossSections xs,
                  std::optional< multigroup::AverageFissionEnergyRelease > release = std::nullopt ) :
     metadata_( std::move( zaid ), std::move( libname ), std::move( source ),
@@ -38,6 +40,7 @@ MultigroupTable( std::string zaid, std::string libname, std::string source,
     primary_structure_( std::move( structure ) ),
     outgoing_structure_( std::move( outgoing ) ),
     weights_( std::move( weigths ) ),
+    total_( std::move( total ) ),
     xs_( std::move( xs ) ),
     release_( std::move( release.value() ) ) {
 

diff --git a/src/NDItk/MultigroupTable/src/read.hpp b/src/NDItk/MultigroupTable/src/read.hpp
@@ -39,6 +39,19 @@ void read( Iterator& iter, const Iterator& end ) {
         throw std::exception();
       }
     }
+    else if ( keyword == this->total_.keyword() ) {
+
+      if ( this->metadata_.numberGroups().has_value() ) {
+
+        readRecord( this->total_, iter, end, this->metadata_.numberGroups().value() );
+      }
+      else {
+
+        Log::error( "Metadata required for the \'\' record was not found", keyword );
+        Log::info( "Required metadata is missing: number of groups in the primary group structure" );
+        throw std::exception();
+      }
+    }
     else if ( keyword == this->xs_.keyword() ) {
 
       if ( this->metadata_.numberGroups().has_value() && this->metadata_.numberReactions().has_value() ) {

diff --git a/src/NDItk/MultigroupTable/src/verify.hpp b/src/NDItk/MultigroupTable/src/verify.hpp
@@ -10,12 +10,15 @@ void verify() {
   const auto groups = this->metadata().numberGroups().value();
   if ( ( this->structure().numberGroups() != groups ) ||
        ( this->flux().numberGroups() != groups ) ||
+       ( this->totalCrossSection().numberGroups() != groups ) ||
        ( this->reactionCrossSections().numberGroups() != groups ) ) {
 
     Log::error( "Found inconsistent number of primary groups across the table" );
     Log::info( "Number of primary groups in the metadata: {}", this->metadata().numberGroups().value() );
     Log::info( "Number of primary groups in the structure: {}", this->structure().numberGroups() );
     Log::info( "Number of primary groups in the flux weights: {}", this->flux().numberGroups() );
+    Log::info( "Number of primary groups in the total cross section: {}",
+               this->totalCrossSection().numberGroups() );
     Log::info( "Number of primary groups in the reaction cross section data: {}",
                this->reactionCrossSections().numberGroups() );
     throw std::exception();

diff --git a/src/NDItk/MultigroupTable/test/MultigroupTable.test.cpp b/src/NDItk/MultigroupTable/test/MultigroupTable.test.cpp
@@ -37,6 +37,7 @@ SCENARIO( "MultigroupTable" ) {
           { 1001, { 20., 10., 1e-11 } }
       };
       multigroup::FluxWeights weights( { 0.1, 0.2, 0.25, 0.05, 0.15, 0.04, 0.06 } );
+      multigroup::TotalCrossSection total( { 1.1, 1.2, 1.25, 1.05, 1.15, 1.04, 1.06 } );
       multigroup::ReactionCrossSections xs( { { 2, 0.0, { 10., 20., 30., 40., 50., 60., 70. } },
                                               { 16, 1.1234567, { 1., 2., 3., 4., 5., 6., 7. } } } );
       multigroup::AverageFissionEnergyRelease release( 202.827, 181.238898, 4.827645,
@@ -45,7 +46,7 @@ SCENARIO( "MultigroupTable" ) {
       MultigroupTable chunk( std::move( zaid ), std::move( name ), std::move( source ),
                              std::move( process ), awr, weight, temperature, dilution,
                              std::move( structure ), std::move( outgoing ), std::move( weights ),
-                             std::move( xs ), std::move( release ) );
+                             std::move( total ), std::move( xs ), std::move( release ) );
 
       THEN( "a MultigroupTable can be constructed and members can "
             "be tested" ) {
@@ -102,14 +103,16 @@ SCENARIO( "MultigroupTable" ) {
       double dilution = 1e+10;
       multigroup::EnergyGroupStructure structure( { 20., 18., 16., 14., 10., 5, 1, 1e-11 } );            // <-- 7 groups
       multigroup::FluxWeights weights( { 0.1, 0.2, 0.25, 0.05, 0.15, 0.04 } );                           // <-- 6 groups
+      multigroup::TotalCrossSection total( { 1.1, 1.2, 1.25, 1.05, 1.15, 1.04 } );                       // <-- 5 groups
       multigroup::ReactionCrossSections xs( { { 2, 0.0, { 10., 20., 30., 40., 50., 60., 70., 80. } },    // <-- 8 groups
                                               { 16, 1.1234567, { 1., 2., 3., 4., 5., 6., 7., 8. } } } );
 
       THEN( "an exception is thrown" ) {
 
         CHECK_THROWS( MultigroupTable( std::move( zaid ), std::move( name ), std::move( source ),
                                        std::move( process ), awr, weight, temperature, dilution,
-                                       std::move( structure ), {}, std::move( weights ), std::move( xs ) ) );
+                                       std::move( structure ), {}, std::move( weights ), std::move( total ),
+                                       std::move( xs ) ) );
       } // THEN
     } // WHEN
   } // GIVEN
@@ -151,6 +154,9 @@ std::string chunk() {
          "wgts\n"
          "    0.1 0.2 0.25 0.05 0.15\n"
          "    0.04 0.06\n"
+         "sig_tot\n"
+         "    1.1 1.2 1.25 1.05 1.15\n"
+         "    1.04 1.06\n"
          "sig_reac\n"
          "    2 0\n"
          "    10 20 30 40 50\n"
@@ -233,6 +239,20 @@ void verifyChunk( const MultigroupTable& chunk ) {
   CHECK_THAT( 0.04, WithinRel( chunk.flux().weights()[5] ) );
   CHECK_THAT( 0.06, WithinRel( chunk.flux().weights()[6] ) );
 
+  // total cross section
+  CHECK( "sig_tot" == chunk.totalCrossSection().keyword() );
+  CHECK( false == chunk.totalCrossSection().empty() );
+  CHECK( 7 == chunk.totalCrossSection().size() );
+  CHECK( 7 == chunk.totalCrossSection().values().size() );
+  CHECK( 7 == chunk.totalCrossSection().numberGroups() );
+  CHECK_THAT( 1.10, WithinRel( chunk.totalCrossSection().values()[0] ) );
+  CHECK_THAT( 1.20, WithinRel( chunk.totalCrossSection().values()[1] ) );
+  CHECK_THAT( 1.25, WithinRel( chunk.totalCrossSection().values()[2] ) );
+  CHECK_THAT( 1.05, WithinRel( chunk.totalCrossSection().values()[3] ) );
+  CHECK_THAT( 1.15, WithinRel( chunk.totalCrossSection().values()[4] ) );
+  CHECK_THAT( 1.04, WithinRel( chunk.totalCrossSection().values()[5] ) );
+  CHECK_THAT( 1.06, WithinRel( chunk.totalCrossSection().values()[6] ) );
+
   // reaction cross sections
   CHECK( 18 == chunk.reactionCrossSections().size() );
   CHECK( false == chunk.reactionCrossSections().empty() );