Merge pull request #16 from njoy/feature/ace-part2

Feature/ace part2

cmake/unit_testing_python.cmake

@@ -22,7 +22,7 @@ endfunction()
 
 message( STATUS "Adding dryad Python unit testing" )
 
-add_python_test( id.ElementID id/Test_dryad_id_ElementID.py )
+add_python_test( id.ElementID                  id/Test_dryad_id_ElementID.py )
 
 add_python_test( TabulatedMultiplicity         Test_dryad_TabulatedMultiplicity.py )
 add_python_test( TabulatedAverageEnergy        Test_dryad_TabulatedAverageEnergy.py )

src/dryad/format/ace.hpp

@@ -1,7 +1,13 @@
 #include "dryad/format/ace/createTabulatedScatteringFunction.hpp"
 
 #include "dryad/format/ace/photoatomic/createReactionNumbers.hpp"
+#include "dryad/format/ace/photoatomic/createPartialReactionNumbers.hpp"
 #include "dryad/format/ace/photoatomic/createTabulatedCrossSections.hpp"
+#include "dryad/format/ace/photoatomic/createReactions.hpp"
+#include "dryad/format/ace/photoatomic/createProjectileTarget.hpp"
 
 #include "dryad/format/ace/electroatomic/createReactionNumbers.hpp"
+#include "dryad/format/ace/electroatomic/createPartialReactionNumbers.hpp"
 #include "dryad/format/ace/electroatomic/createTabulatedCrossSections.hpp"
+#include "dryad/format/ace/electroatomic/createReactions.hpp"
+#include "dryad/format/ace/electroatomic/createProjectileTarget.hpp"

src/dryad/format/ace/electroatomic/createProjectileTarget.hpp

@@ -0,0 +1,35 @@
+#ifndef NJOY_DRYAD_FORMAT_ACE_ELECTROATOMIC_CREATEPROJECTILETARGET
+#define NJOY_DRYAD_FORMAT_ACE_ELECTROATOMIC_CREATEPROJECTILETARGET
+
+// system includes
+#include <vector>
+
+// other includes
+#include "tools/Log.hpp"
+#include "dryad/ProjectileTarget.hpp"
+#include "dryad/format/ace/electroatomic/createReactions.hpp"
+#include "ACEtk/PhotoatomicTable.hpp"
+
+namespace njoy {
+namespace dryad {
+namespace format {
+namespace ace {
+namespace electroatomic {
+
+  /**
+   *  @brief Create a ProjectileTarget for electroatomic data
+   */
+  ProjectileTarget createProjectileTarget( const ACEtk::PhotoatomicTable& table ) {
+
+    return ProjectileTarget( id::ParticleID( "e-" ), id::ParticleID( table.ZAID() ),
+                             InteractionType::Atomic,
+                             createReactions( table ) );
+  }
+
+} // electroatomic namespace
+} // ace namespace
+} // format namespace
+} // dryad namespace
+} // njoy namespace
+
+#endif

src/dryad/format/ace/electroatomic/createReactions.hpp

@@ -0,0 +1,60 @@
+#ifndef NJOY_DRYAD_FORMAT_ACE_ELECTROATOMIC_CREATEREACTIONS
+#define NJOY_DRYAD_FORMAT_ACE_ELECTROATOMIC_CREATEREACTIONS
+
+// system includes
+#include <vector>
+
+// other includes
+#include "tools/Log.hpp"
+#include "dryad/Reaction.hpp"
+#include "dryad/format/ace/electroatomic/createReactionNumbers.hpp"
+#include "dryad/format/ace/electroatomic/createPartialReactionNumbers.hpp"
+#include "dryad/format/ace/electroatomic/createTabulatedCrossSections.hpp"
+#include "ACEtk/PhotoatomicTable.hpp"
+
+namespace njoy {
+namespace dryad {
+namespace format {
+namespace ace {
+namespace electroatomic {
+
+  /**
+   *  @brief Create the reactions for electroatomic data
+   */
+  std::vector< Reaction > createReactions( const ACEtk::PhotoatomicTable& table ) {
+
+    std::vector< Reaction > reactions;
+
+    auto numbers = createReactionNumbers( table );
+    auto partialNumbers = createPartialReactionNumbers( table );
+    auto xs = createTabulatedCrossSections( table );
+    auto size = numbers.size();
+
+    for ( std::size_t index = 0; index < size; ++index ) {
+
+      id::ReactionID id( std::to_string( numbers[index] ) );
+      if ( partialNumbers[index].size() == 0 ) {
+
+        reactions.emplace_back( std::move( id ), std::move( xs[index] ) );
+      }
+      else {
+
+        std::vector< id::ReactionID > partials( partialNumbers[index].size() );
+        std::transform( partialNumbers[index].begin(), partialNumbers[index].end(),
+                        partials.begin(),
+                        [] ( auto&& number ) { return std::to_string( number ); } );
+
+        reactions.emplace_back( std::move( id ), std::move( partials ), std::move( xs[index] ) );
+      }
+    }
+
+    return reactions;
+  }
+
+} // electroatomic namespace
+} // ace namespace
+} // format namespace
+} // dryad namespace
+} // njoy namespace
+
+#endif

src/dryad/format/ace/photoatomic/createProjectileTarget.hpp

@@ -0,0 +1,35 @@
+#ifndef NJOY_DRYAD_FORMAT_ACE_PHOTOATOMIC_CREATEPROJECTILETARGET
+#define NJOY_DRYAD_FORMAT_ACE_PHOTOATOMIC_CREATEPROJECTILETARGET
+
+// system includes
+#include <vector>
+
+// other includes
+#include "tools/Log.hpp"
+#include "dryad/ProjectileTarget.hpp"
+#include "dryad/format/ace/photoatomic/createReactions.hpp"
+#include "ACEtk/PhotoatomicTable.hpp"
+
+namespace njoy {
+namespace dryad {
+namespace format {
+namespace ace {
+namespace photoatomic {
+
+  /**
+   *  @brief Create a ProjectileTarget for photoatomic data
+   */
+  ProjectileTarget createProjectileTarget( const ACEtk::PhotoatomicTable& table ) {
+
+    return ProjectileTarget( id::ParticleID( "g" ), id::ParticleID( table.ZAID() ),
+                             InteractionType::Atomic,
+                             createReactions( table ) );
+  }
+
+} // electroatomic namespace
+} // ace namespace
+} // format namespace
+} // dryad namespace
+} // njoy namespace
+
+#endif

src/dryad/format/ace/photoatomic/createReactionProducts.hpp

@@ -0,0 +1,67 @@
+#ifndef NJOY_DRYAD_FORMAT_ACE_PHOTOATOMIC_CREATEREACTIONPRODUCTS
+#define NJOY_DRYAD_FORMAT_ACE_PHOTOATOMIC_CREATEREACTIONPRODUCTS
+
+// system includes
+#include <vector>
+
+// other includes
+#include "tools/Log.hpp"
+#include "dryad/ReactionProduct.hpp"
+#include "dryad/format/ace/createTabulatedScatteringFunction.hpp"
+#include "ACEtk/PhotoatomicTable.hpp"
+
+namespace njoy {
+namespace dryad {
+namespace format {
+namespace ace {
+namespace photoatomic {
+
+  /**
+   *  @brief Create partial reaction numbers for photoatomic data
+   */
+  std::vector< std::vector< ReactionProduct > >
+  createReactionProducts( const ACEtk::PhotoatomicTable& table ) {
+
+    std::vector< std::vector< ReactionProduct > > products;
+
+    // total - MT501
+    products.push_back( {} );
+
+    // coherent scattering - MT502
+    products.push_back( {} );
+    products.back().emplace_back(
+      id::ParticleID( "g" ), 1,
+      CoherentDistributionData( ReferenceFrame::CentreOfMass,
+                                createTabulatedScatteringFunction( table.coherentFormFactorBlock() ) ) );
+
+    // incoherent scattering - MT504
+    products.push_back( {} );
+    products.back().emplace_back(
+      id::ParticleID( "g" ), 1,
+      IncoherentDistributionData( ReferenceFrame::CentreOfMass,
+                                  createTabulatedScatteringFunction( table.incoherentScatteringFunctionBlock() ) ) );
+
+    // pair production - MT516 (sum of MT515 and MT517)
+    products.push_back( {} );
+
+    // photoelectric - MT522 (sum of MT534 and up)
+    products.push_back( {} );
+    if ( table.electronPhotonRelaxationFormat() > 0 ) {
+
+      for ( std::size_t index = 1; index <= table.numberElectronSubshells(); ++index ) {
+
+        // partial: subshell photoelectric - MT534 and up
+        products.push_back( {} );
+      }
+    }
+
+    return products;
+  }
+
+} // photoatomic namespace
+} // ace namespace
+} // format namespace
+} // dryad namespace
+} // njoy namespace
+
+#endif

src/dryad/format/ace/photoatomic/createReactions.hpp

@@ -0,0 +1,64 @@
+#ifndef NJOY_DRYAD_FORMAT_ACE_PHOTOATOMIC_CREATEREACTIONS
+#define NJOY_DRYAD_FORMAT_ACE_PHOTOATOMIC_CREATEREACTIONS
+
+// system includes
+#include <vector>
+
+// other includes
+#include "tools/Log.hpp"
+#include "dryad/Reaction.hpp"
+#include "dryad/format/ace/photoatomic/createReactionNumbers.hpp"
+#include "dryad/format/ace/photoatomic/createPartialReactionNumbers.hpp"
+#include "dryad/format/ace/photoatomic/createTabulatedCrossSections.hpp"
+#include "dryad/format/ace/photoatomic/createReactionProducts.hpp"
+#include "ACEtk/PhotoatomicTable.hpp"
+
+namespace njoy {
+namespace dryad {
+namespace format {
+namespace ace {
+namespace photoatomic {
+
+  /**
+   *  @brief Create the reactions for photoatomic data
+   */
+  std::vector< Reaction > createReactions( const ACEtk::PhotoatomicTable& table ) {
+
+    std::vector< Reaction > reactions;
+
+    auto numbers = createReactionNumbers( table );
+    auto partialNumbers = createPartialReactionNumbers( table );
+    auto xs = createTabulatedCrossSections( table );
+    auto products = createReactionProducts( table );
+    auto size = numbers.size();
+
+    for ( std::size_t index = 0; index < size; ++index ) {
+
+      id::ReactionID id( std::to_string( numbers[index] ) );
+      if ( partialNumbers[index].size() == 0 ) {
+
+        reactions.emplace_back( std::move( id ), std::move( xs[index] ),
+                                std::move( products[index] ) );
+      }
+      else {
+
+        std::vector< id::ReactionID > partials( partialNumbers[index].size() );
+        std::transform( partialNumbers[index].begin(), partialNumbers[index].end(),
+                        partials.begin(),
+                        [] ( auto&& number ) { return std::to_string( number ); } );
+
+        reactions.emplace_back( std::move( id ), std::move( partials ), std::move( xs[index] ),
+                                std::move( products[index] ) );
+      }
+    }
+
+    return reactions;
+  }
+
+} // electroatomic namespace
+} // ace namespace
+} // format namespace
+} // dryad namespace
+} // njoy namespace
+
+#endif

src/dryad/format/ace/test/CMakeLists.txt

@@ -3,7 +3,12 @@ add_cpp_test( format.ace.createTabulatedScatteringFunction          createTabula
 add_cpp_test( format.ace.electroatomic.createReactionNumbers        electroatomic/createReactionNumbers.test.cpp )
 add_cpp_test( format.ace.electroatomic.createPartialReactionNumbers electroatomic/createPartialReactionNumbers.test.cpp )
 add_cpp_test( format.ace.electroatomic.createTabulatedCrossSections electroatomic/createTabulatedCrossSections.test.cpp )
+add_cpp_test( format.ace.electroatomic.createReactions              electroatomic/createReactions.test.cpp )
+add_cpp_test( format.ace.electroatomic.createProjectileTarget       electroatomic/createProjectileTarget.test.cpp )
 
 add_cpp_test( format.ace.photoatomic.createReactionNumbers          photoatomic/createReactionNumbers.test.cpp )
 add_cpp_test( format.ace.photoatomic.createPartialReactionNumbers   photoatomic/createPartialReactionNumbers.test.cpp )
 add_cpp_test( format.ace.photoatomic.createTabulatedCrossSections   photoatomic/createTabulatedCrossSections.test.cpp )
+add_cpp_test( format.ace.photoatomic.createReactionProducts         photoatomic/createReactionProducts.test.cpp )
+add_cpp_test( format.ace.photoatomic.createReactions                photoatomic/createReactions.test.cpp )
+add_cpp_test( format.ace.photoatomic.createProjectileTarget         photoatomic/createProjectileTarget.test.cpp )