Feature/multigroup part8

cmake/unit_testing.cmake

@@ -33,6 +33,7 @@ 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/base/StringListRecord/test )
+add_subdirectory( src/NDItk/base/InformationRecord/test )
 
 add_subdirectory( src/NDItk/multigroup/Metadata/test )
 add_subdirectory( src/NDItk/multigroup/EnergyGroupStructure/test )

python/src/MultigroupTable.python.cpp

@@ -50,6 +50,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
                   ReactionCrossSections,
                   ScatteringMatrix,
                   std::optional< std::string >,
+                  std::optional< std::string >,
                   std::optional< double >,
                   std::optional< TotalCrossSection >,
                   std::optional< AverageFissionEnergyRelease >,
@@ -66,6 +67,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     python::arg( "structure" ), python::arg( "outgoing" ),
     python::arg( "velocities" ), python::arg( "flux" ),
     python::arg( "xs" ), python::arg( "scattering" ),
+    python::arg( "information" ) = std::nullopt,
     python::arg( "source" ) = std::nullopt,
     python::arg( "weight" ) = std::nullopt,
     python::arg( "total" ) = std::nullopt,
@@ -93,6 +95,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     "    flux               the flux weights\n"
     "    xs                 the reaction cross section data\n"
     "    scattering         the scattering matrix\n"
+    "    information        the table information line (optional)\n"
     "    source             the source date (optional)\n"
     "    weight             the atomic weight of the target (optional)\n"
     "    total              the total cross section (optional)\n"

python/src/definitions.hpp

@@ -9,6 +9,7 @@
 #include <pybind11/stl.h>
 #include "tools/views/views-python.hpp"
 #include "NDItk/fromFile.hpp"
+#include "NDItk/toFile.hpp"
 
 namespace python = pybind11;
 
@@ -142,8 +143,20 @@ void addStandardTableDefinitions( PythonClass& table ) {
     "table\n\n"
     "Arguments:\n"
     "    filename    the file name and path"
+  )
+  .def(
+
+    "to_file",
+    [] ( const Table& self, const std::string& filename ) {
+
+      return njoy::NDItk::toFile( self, filename );
+    },
+    "Read an ACE table from a file\n\n"
+    "An exception is raised if something goes wrong while reading the\n"
+    "table\n\n"
+    "Arguments:\n"
+    "    filename    the file name and path"
   );
 }
 
 #endif
-

python/src/multigroup/Metadata.python.cpp

@@ -37,13 +37,15 @@ void wrapMetadata( python::module& module, python::module& ) {
                   unsigned int, std::map< unsigned int, unsigned int >,
                   unsigned int, unsigned int,
                   std::optional< std::string >,
+                  std::optional< std::string >,
                   std::optional< double >,
                   std::optional< int >,
                   std::optional< int > >(),
     python::arg( "zaid" ), python::arg( "libname" ),
     python::arg( "process" ), python::arg( "awr" ),
     python::arg( "temperature" ), python::arg( "dilution" ), python::arg( "groups" ),
     python::arg( "outgoing" ), python::arg( "reactions" ), python::arg( "legendre" ),
+    python::arg( "information" ) = std::nullopt,
     python::arg( "source" ) = std::nullopt,
     python::arg( "weight" ) = std::nullopt,
     python::arg( "upscatter" ) = std::nullopt,
@@ -62,6 +64,7 @@ void wrapMetadata( python::module& module, python::module& ) {
     "    outgoing       the number of groups in the outgoing group structures\n"
     "    reactions      the number of reactions defined in the table\n"
     "    legendre       the number of Legendre moments in the table\n"
+    "    information    the table information line (optional)\n"
     "    source         the source date (optional)\n"
     "    weight         the atomic weight of the target (optional)\n"
     "    upscatter      the number of upscatter groups (optional)\n"
@@ -73,6 +76,12 @@ void wrapMetadata( python::module& module, python::module& ) {
     &Record::zaid,
     "The zaid of the table"
   )
+  .def_property_readonly(
+
+    "information",
+    &Record::information,
+    "The table information line"
+  )
   .def_property_readonly(
 
     "library_name",

python/test/Test_NDItk_MultigroupTable.py

@@ -1,5 +1,6 @@
 # standard imports
 import unittest
+import os
 
 # third party imports
 
@@ -29,6 +30,7 @@ def verify_chunk( self, chunk ) :
             # verify content - metadata
             metadata = chunk.metadata
             self.assertEqual( '92235.711nm', metadata.zaid )
+            self.assertEqual( 'this is some information for the table', metadata.information )
             self.assertEqual( 'mendf71x', metadata.library_name )
             self.assertEqual( '12/22/2011', metadata.source_date )
             self.assertEqual( '08/07/2013', metadata.process_date )
@@ -429,7 +431,8 @@ def verify_chunk( self, chunk ) :
             self.assertAlmostEqual( 150, kerma.values[1] )
 
         # the data is given explicitly
-        chunk = MultigroupTable( zaid = '92235.711nm', libname = 'mendf71x', source = '12/22/2011',
+        chunk = MultigroupTable( zaid = '92235.711nm', libname = 'mendf71x',
+                                 information = 'this is some information for the table', source = '12/22/2011',
                                  process = '08/07/2013', awr = 233.0248, weight = 235.043937521619,
                                  temperature = 2.53e-8, dilution = 1e+10,
                                  structure = EnergyGroupStructure( [ 20., 18.123456789, 16.0000000000001, 14., 10., 5, 1, 1e-11 ] ),
@@ -501,6 +504,12 @@ def verify_chunk( self, chunk ) :
 
         verify_chunk( self, chunk )
 
+        # the data is read from a file
+        chunk.to_file( 'test.txt' )
+        chunk = MultigroupTable.from_file( 'test.txt' )
+        verify_chunk( self, chunk )
+        os.remove( 'test.txt' )
+
 if __name__ == '__main__' :
 
     unittest.main()

src/NDItk/MultigroupTable/src/ctor.hpp

@@ -25,6 +25,7 @@ MultigroupTable() :
  *  @param[in] total             the total cross section
  *  @param[in] xs                the reaction cross section data
  *  @param[in] scattering        the scattering matrix
+ *  @param[in] information       the table information line (optional)
  *  @param[in] source            the source date (optional)
  *  @param[in] weight            the atomic weight of the target (optional)
  *  @param[in] release           the average fission energy release data (optional)
@@ -45,6 +46,7 @@ MultigroupTable( std::string zaid, std::string libname,
                  multigroup::FluxWeights weigths,
                  multigroup::ReactionCrossSections xs,
                  multigroup::ScatteringMatrix scattering,
+                 std::optional< std::string > information = std::nullopt,
                  std::optional< std::string > source = std::nullopt,
                  std::optional< double > weight = std::nullopt,
                  std::optional< multigroup::TotalCrossSection > total = std::nullopt,
@@ -60,7 +62,7 @@ MultigroupTable( std::string zaid, std::string libname,
                std::move( process ), awr, temperature, dilution,
                structure.numberGroups(), generateOutgoingStructureMetadata( outgoing ),
                xs.numberReactions(), scattering.numberLegendreMoments(),
-               std::move( source ), std::move( weight ),
+               std::move( information ), std::move( source ), std::move( weight ),
                std::nullopt, std::nullopt ),
     primary_structure_( std::move( structure ) ),
     velocities_( std::move( velocities ) ),

src/NDItk/MultigroupTable/test/MultigroupTable.test.cpp

@@ -24,6 +24,7 @@ SCENARIO( "MultigroupTable" ) {
     WHEN( "the data is given explicitly" ) {
 
       std::string zaid = "92235.711nm";
+      std::string information = "this is some information for the table";
       std::string name = "mendf71x";
       std::string source = "12/22/2011";
       std::string process = "08/07/2013";
@@ -107,7 +108,7 @@ SCENARIO( "MultigroupTable" ) {
                              std::move( structure ), std::move( outgoing ),
                              std::move( velocities ), std::move( weights ),
                              std::move( xs ), std::move( scattering ),
-                             std::move( source ), weight,
+                             std::move( information ), std::move( source ), weight,
                              std::move( total ), std::move( release ),
                              std::move( types ), std::move( transport ),
                              std::move( production ),
@@ -174,6 +175,7 @@ SCENARIO( "MultigroupTable" ) {
     WHEN( "the number of groups is inconsistent" ) {
 
       std::string zaid = "92235.711nm";
+      std::string information = "this is some information for the table";
       std::string name = "mendf71x";
       std::string source = "12/22/2011";
       std::string process = "08/07/2013";
@@ -254,7 +256,7 @@ SCENARIO( "MultigroupTable" ) {
                                        std::move( structure ), {}, std::move( velocities ),
                                        std::move( weights ), std::move( xs ),
                                        std::move( scattering ),
-                                       std::move( source ), weight,
+                                       std::move( information ), std::move( source ), weight,
                                        std::move( total ), std::move( release ),
                                        std::move( types ), std::move( transport ),
                                        std::move( production ),
@@ -269,6 +271,8 @@ std::string chunk() {
 
   return "zaid\n"
          "    92235.711nm\n"
+         "info\n"
+         "    this is some information for the table\n"
          "library_name\n"
          "    mendf71x\n"
          "date_source\n"
@@ -391,6 +395,7 @@ void verifyChunk( const MultigroupTable& chunk ) {
 
   // metadata
   CHECK( "92235.711nm" == chunk.metadata().zaid() );
+  CHECK( "this is some information for the table" == chunk.metadata().information() );
   CHECK( "mendf71x" == chunk.metadata().libraryName() );
   CHECK( "12/22/2011" == chunk.metadata().sourceDate() );
   CHECK( "08/07/2013" == chunk.metadata().processDate() );

src/NDItk/base/InformationRecord.hpp

@@ -0,0 +1,115 @@
+#ifndef NJOY_NDITK_BASE_INFORMATIONRECORD
+#define NJOY_NDITK_BASE_INFORMATIONRECORD
+
+// system includes
+#include <string>
+#include <sstream>
+#include <iomanip>
+
+// other includes
+#include "NDItk/base/SingleValueRecord.hpp"
+
+namespace njoy {
+namespace NDItk {
+namespace base {
+
+/**
+ *  @brief An NDI record with a line of information
+ */
+class InformationRecord : protected SingleValueRecord< InformationRecord, std::string > {
+
+  friend class SingleValueRecord< InformationRecord, std::string >;
+  using Parent = SingleValueRecord< InformationRecord, std::string >;
+
+protected:
+
+  /**
+   *  @brief Write the record data
+   *
+   *  This assumes that the record is not empty.
+   *
+   *  @param[in] iter   the current position in the output
+   */
+  template< typename OutputIterator >
+  void write( OutputIterator& iter ) const {
+
+    unsigned int indent = 4;
+    while ( indent-- ) { *iter++ = ' '; }
+    for ( auto c : this->data().value() ) { *iter++ = c; }
+    *iter++ = '\n';
+  };
+
+  using Parent::key;
+
+public:
+
+  /* constructor */
+
+  /**
+   *  @brief Constructor
+   *
+   *  @param[in] keyword   the keyword of the record
+   */
+  InformationRecord() :
+      SingleValueRecord( Keyword( "info" ) ) {}
+
+  /**
+   *  @brief Constructor
+   *
+   *  @param[in] keyword   the keyword of the record
+   *  @param[in] value     the value of the record
+   */
+  InformationRecord( std::string value ) :
+      SingleValueRecord( Keyword( "info" ), value ) {}
+
+  /* methods */
+
+  using Parent::keyword;
+  using Parent::data;
+  using Parent::empty;
+  using Parent::print;
+
+  /**
+   *  @brief Read the record data
+   *
+   *  @param[in] iter   the current position in the input
+   */
+  template< typename Iterator >
+  void read( Iterator& iter, const Iterator& end ) {
+
+    // move over the first endline
+    while ( ( iter != end ) && std::isspace( *iter ) && ( *iter != '\n' ) ) {
+
+      ++iter;
+    }
+    if ( *iter != '\n' ) {
+
+      Log::error( "The table information line should start on a new line" );
+      throw std::exception();
+    }
+    ++iter;
+    // move over initial white space
+    while ( ( iter != end ) && std::isspace( *iter ) && ( *iter != '\n' ) ) {
+
+      ++iter;
+    }
+    auto pos = std::find_if( iter, end, [] ( auto&& character )
+                                           { return character == '\n'; } );
+    if ( pos == iter ) {
+
+      Log::error( "There appears to be no table information line" );
+      throw std::exception();
+    }
+    this->data() = std::string( iter, pos );
+    if ( pos != end ) {
+
+      iter = pos + 1;
+    }
+  };
+};
+
+} // base namespace
+} // NDItk namespace
+} // njoy namespace
+
+#endif

src/NDItk/base/InformationRecord/test/CMakeLists.txt

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