Merge pull request #2 from njoy/feature/initial-v2

Feature/initial v2

.github/workflows/ContinuousIntegration.yml

@@ -25,7 +25,7 @@ jobs:
       run: |
         which ${{matrix.cxx}}
         ${{matrix.cxx}} --version
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
     - name: mkdir bin
       run: mkdir bin
     - name: cmake

CMakeLists.txt

@@ -33,8 +33,11 @@ cmake_dependent_option(
 cmake_dependent_option(
   NDItk.python
   "Build NDItk python bindings" ON
-  "NOT ${subproject}" OFF
+  "NOT ${subproject} OR DEFINED requires.NDItk.python " OFF
 )
+if ( NDItk.python )
+  set( require.tools.python CACHE BOOL ON )
+endif()
 
 ########################################################################
 # Dependencies
@@ -103,7 +106,9 @@ if( NDItk.python )
 
   list( APPEND NDItk_PYTHONPATH ${CMAKE_CURRENT_BINARY_DIR} )
 
-  include( cmake/unit_testing_python.cmake )
+  if( NDItk.tests )
+    include( cmake/unit_testing_python.cmake )
+  endif()
 
 endif()
 

cmake/develop_dependencies.cmake

@@ -7,7 +7,7 @@ include( FetchContent )
 
 FetchContent_Declare( tools
     GIT_REPOSITORY  https://github.com/njoy/tools
-    GIT_TAG         v0.2.0
+    GIT_TAG         v0.3.0
     GIT_SHALLOW     TRUE
     )
 

cmake/release_dependencies.cmake

@@ -10,6 +10,11 @@ FetchContent_Declare( Catch2
     GIT_TAG         3f0283de7a9c43200033da996ff9093be3ac84dc # tag: v3.3.2
     )
 
+FetchContent_Declare( fast_float
+    GIT_REPOSITORY  https://github.com/fastfloat/fast_float
+    GIT_TAG         f476bc713fda06fbd34dc621b466745a574b3d4c # tag: v6.1.1
+    )
+
 FetchContent_Declare( pybind11
     GIT_REPOSITORY  https://github.com/pybind/pybind11
     GIT_TAG         5b0a6fc2017fcc176545afe3e09c9f9885283242 # tag: v2.10.4
@@ -23,14 +28,15 @@ set( SPDLOG_BUILD_PIC CACHE INTERNAL BOOL ON )
 
 FetchContent_Declare( tools
     GIT_REPOSITORY  https://github.com/njoy/tools
-    GIT_TAG         25c9273d05601a9644feea6d7539250bf1d1c0dc # tag: v0.2.0
+    GIT_TAG         368dbd9bd44754de616c46ffed0f80d2d16d8360 # tag: v0.3.0
     )
 
 #######################################################################
 # Load dependencies
 #######################################################################
 
 FetchContent_MakeAvailable(
+    fast_float
     spdlog
     tools
     )

cmake/unit_testing.cmake

@@ -26,3 +26,16 @@ endfunction()
 # Unit testing directories
 #######################################################################
 
+add_subdirectory( src/NDItk/base/SingleIntegerRecord/test )
+add_subdirectory( src/NDItk/base/SingleRealRecord/test )
+add_subdirectory( src/NDItk/base/SingleStringRecord/test )
+add_subdirectory( src/NDItk/base/IntegerListRecord/test )
+add_subdirectory( src/NDItk/base/RealListRecord/test )
+
+add_subdirectory( src/NDItk/multigroup/Metadata/test )
+add_subdirectory( src/NDItk/multigroup/Structure/test )
+add_subdirectory( src/NDItk/multigroup/FluxWeights/test )
+add_subdirectory( src/NDItk/multigroup/CrossSection/test )
+add_subdirectory( src/NDItk/multigroup/ReactionCrossSections/test )
+
+add_subdirectory( src/NDItk/MultigroupTable/test )

src/NDItk.hpp

@@ -0,0 +1,7 @@
+#include "NDItk/multigroup/Metadata.hpp"
+#include "NDItk/multigroup/Structure.hpp"
+#include "NDItk/multigroup/FluxWeights.hpp"
+#include "NDItk/multigroup/CrossSection.hpp"
+#include "NDItk/multigroup/ReactionCrossSections.hpp"
+
+#include "NDItk/MultigroupTable.hpp"

src/NDItk/MultigroupTable.hpp

@@ -0,0 +1,88 @@
+#ifndef NJOY_NDITK_MULTIGROUP
+#define NJOY_NDITK_MULTIGROUP
+
+// system includes
+
+// other includes
+#include "tools/Log.hpp"
+#include "NDItk/multigroup/Metadata.hpp"
+#include "NDItk/multigroup/Structure.hpp"
+#include "NDItk/multigroup/FluxWeights.hpp"
+#include "NDItk/multigroup/ReactionCrossSections.hpp"
+
+namespace njoy {
+namespace NDItk {
+
+/**
+ *  @brief A multigroup NDI table
+ */
+class MultigroupTable {
+
+  /* fields */
+
+  multigroup::Metadata metadata_;
+  multigroup::Structure structure_;
+  multigroup::FluxWeights weights_;
+  multigroup::ReactionCrossSections xs_;
+
+  /* auxiliary functions */
+
+  #include "NDItk/MultigroupTable/src/readRecord.hpp"
+  #include "NDItk/MultigroupTable/src/verify.hpp"
+
+public:
+
+  /* constructor */
+
+  #include "NDItk/MultigroupTable/src/ctor.hpp"
+
+  /* methods */
+
+  /**
+   *  @brief Return the metadata of the table
+   */
+  const multigroup::Metadata& metadata() const { return this->metadata_; }
+
+  /**
+   *  @brief Return the primary group structure record
+   */
+  const multigroup::Structure& structure() const { return this->structure_; }
+
+  /**
+   *  @brief Return the flux weight record
+   */
+  const multigroup::FluxWeights& flux() const { return this->weights_; }
+
+  /**
+   *  @brief Return the reaction cross section record
+   */
+  const multigroup::ReactionCrossSections& reactionCrossSections() const {
+
+    return this->xs_;
+  }
+
+  #include "NDItk/MultigroupTable/src/read.hpp"
+
+  /**
+   *  @brief Print the NDI table
+   *
+   *  @param[in] iter   the current position in the output
+   */
+  template< typename OutputIterator >
+  void print( OutputIterator& iter ) const {
+
+    this->metadata_.print( iter );
+    this->structure_.print( iter );
+    this->weights_.print( iter );
+    this->xs_.print( iter );
+    *iter++ = 'e';
+    *iter++ = 'n';
+    *iter++ = 'd';
+    *iter++ = '\n';
+  };
+};
+
+} // NDItk namespace
+} // njoy namespace
+
+#endif

src/NDItk/MultigroupTable/src/ctor.hpp

@@ -0,0 +1,36 @@
+/**
+ *  @brief Default constructor
+ */
+MultigroupTable() : metadata_(), structure_(), weights_(), xs_() {}
+
+/**
+ *  @brief Constructor
+ *
+ *  @param[in] zaid           the zaid of the table
+ *  @param[in] libname        the library name
+ *  @param[in] source         the source date
+ *  @param[in] process        the processing date
+ *  @param[in] awr            the atomic weight ratio of the target
+ *                            (with respect to the neutron mass)
+ *  @param[in] weight         the atomic weight of the target
+ *  @param[in] temperature    the temperature of the target
+ *  @param[in] dilution       the dilution (aka sigma0)
+ *  @param[in] structure      the primary group structure
+ *  @param[in] weights        the flux weights
+ *  @param[in] xs             the reaction cross section data
+ */
+MultigroupTable( std::string zaid, std::string libname, std::string source,
+                 std::string process, double awr, double weight, double temperature,
+                 double dilution,
+                 multigroup::Structure structure,
+                 multigroup::FluxWeights weigths,
+                 multigroup::ReactionCrossSections xs ) :
+    metadata_( std::move( zaid ), std::move( libname ), std::move( source ),
+               std::move( process ), awr, weight, temperature, dilution,
+               xs.numberGroups(), xs.numberReactions() ),
+    structure_( std::move( structure ) ),
+    weights_( std::move( weigths ) ),
+    xs_( std::move( xs ) ) {
+
+  this->verify();
+}

src/NDItk/MultigroupTable/src/read.hpp

@@ -0,0 +1,79 @@
+/**
+ *  @brief Read the table data
+ *
+ *  @param[in] iter   the current position in the input
+ */
+template< typename Iterator >
+void read( Iterator& iter, const Iterator& end ) {
+
+  std::string keyword;
+  while ( ( keyword != "end" ) && ( iter != end ) ) {
+
+    keyword = njoy::tools::disco::FreeFormatCharacter::read< std::string >( iter, end );
+
+    if ( this->metadata_.isMetadataKey( keyword ) ) {
+
+      this->metadata_.read( keyword, iter, end );
+    }
+    else if ( keyword == this->structure_.keyword() ) {
+
+      if ( this->metadata_.numberGroups().has_value() ) {
+
+        readRecord( this->structure_, iter, end,
+                    this->metadata_.numberGroups().value() + 1 );
+      }
+      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->weights_.keyword() ) {
+
+      if ( this->metadata_.numberGroups().has_value() ) {
+
+        readRecord( this->weights_, 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() ) {
+
+        readRecord( this->xs_, iter, end, this->metadata_.numberReactions().value(), this->metadata_.numberGroups().value() );
+      }
+      else {
+
+        Log::error( "Metadata required for the \'\' record was not found", keyword );
+        if ( ! this->metadata_.numberGroups().has_value() ) {
+
+          Log::info( "Required metadata is missing: number of groups in the primary group structure" );
+        }
+        if ( ! this->metadata_.numberReactions().has_value() ) {
+
+          Log::info( "Required metadata is missing: number of reactions" );
+        }
+        throw std::exception();
+      }
+    }
+    else {
+
+      if ( keyword != "end" ) {
+
+        Log::error( "Unknown keyword found: \'{}\'", keyword );
+        throw std::exception();
+      }
+    }
+
+    while ( std::isspace( *iter ) && iter != end ) {
+
+      ++iter;
+    }
+  }
+};

src/NDItk/MultigroupTable/src/readRecord.hpp

@@ -0,0 +1,14 @@
+/**
+ *  @brief A helper function to read a data record
+ */
+template < typename Record, typename Iterator, typename... Arguments >
+static void readRecord( Record& record, Iterator& iter, const Iterator& end,
+                        Arguments... arguments ) {
+
+  if ( ! record.empty() ) {
+
+    Log::error( "Duplicate keyword found: \'{}\'", record.keyword() );
+    throw std::exception();
+  }
+  record.read( iter, end, arguments... );
+}

src/NDItk/MultigroupTable/src/verify.hpp

@@ -0,0 +1,23 @@
+/**
+ *  @brief Verify the multigroup data
+ *
+ *  The following verification tests are performed:
+ *    - the number of groups accross the data is consistent
+ */
+void verify() {
+
+  // consistent group structure
+  const auto groups = this->metadata().numberGroups().value();
+  if ( ( this->structure().numberGroups() != groups ) ||
+       ( this->flux().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 reaction cross section data: {}",
+               this->reactionCrossSections().numberGroups() );
+    throw std::exception();
+  }
+};

src/NDItk/MultigroupTable/test/CMakeLists.txt

@@ -0,0 +1 @@
+add_cpp_test( MultigroupTable MultigroupTable.test.cpp )