Merge pull request #13 from njoy/feature/multigroup-part7

Feature/multigroup part7
njoy · Jun 4, 2024 · acf2072 · acf2072
2 parents aee1543 + 934167b
commit acf2072
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Showing 68 changed files with 2,464 additions and 61 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -107,6 +107,8 @@ if( NDItk.python )
       python/src/multigroup/Kerma.python.cpp
       python/src/multigroup/OutgoingParticleTypes.python.cpp
       python/src/multigroup/OutgoingParticleTransportData.python.cpp
+      python/src/multigroup/LegendreMoment.python.cpp
+      python/src/multigroup/ScatteringMatrix.python.cpp
       )
 
   target_link_libraries( NDItk.python PRIVATE NDItk )

diff --git a/cmake/develop_dependencies.cmake b/cmake/develop_dependencies.cmake
@@ -7,7 +7,7 @@ include( FetchContent )
 
 FetchContent_Declare( tools
     GIT_REPOSITORY  https://github.com/njoy/tools
-    GIT_TAG         develop
+    GIT_TAG         feature/use-case
     GIT_SHALLOW     TRUE
     )
 

diff --git a/cmake/release_dependencies.cmake b/cmake/release_dependencies.cmake
@@ -24,11 +24,11 @@ FetchContent_Declare( spdlog
     GIT_REPOSITORY  https://github.com/gabime/spdlog
     GIT_TAG         ad0e89cbfb4d0c1ce4d097e134eb7be67baebb36 # tag: v1.11.0
     )
-set( SPDLOG_BUILD_PIC CACHE INTERNAL BOOL ON )
+    set( SPDLOG_BUILD_PIC CACHE INTERNAL BOOL ON )
 
 FetchContent_Declare( tools
     GIT_REPOSITORY  https://github.com/njoy/tools
-    GIT_TAG         f0c91b67d0e72c906f43f79c59a5c8504110b2fa
+    GIT_TAG         99cc26d49e386a23d817d9f4f4989999d3e58f55
     )
 
 #######################################################################

diff --git a/cmake/unit_testing.cmake b/cmake/unit_testing.cmake
@@ -46,5 +46,7 @@ add_subdirectory( src/NDItk/multigroup/HeatingNumbers/test )
 add_subdirectory( src/NDItk/multigroup/Kerma/test )
 add_subdirectory( src/NDItk/multigroup/OutgoingParticleTypes/test )
 add_subdirectory( src/NDItk/multigroup/OutgoingParticleTransportData/test )
+add_subdirectory( src/NDItk/multigroup/LegendreMoment/test )
+add_subdirectory( src/NDItk/multigroup/ScatteringMatrix/test )
 
 add_subdirectory( src/NDItk/MultigroupTable/test )
diff --git a/cmake/unit_testing_python.cmake b/cmake/unit_testing_python.cmake
@@ -34,5 +34,7 @@ add_python_test( multigroup.HeatingNumbers                multigroup/Test_NDItk_
 add_python_test( multigroup.Kerma                         multigroup/Test_NDItk_multigroup_Kerma.py )
 add_python_test( multigroup.OutgoingParticleTypes         multigroup/Test_NDItk_multigroup_OutgoingParticleTypes.py )
 add_python_test( multigroup.OutgoingParticleTransportData multigroup/Test_NDItk_multigroup_OutgoingParticleTransportData.py )
+add_python_test( multigroup.LegendreMoment                multigroup/Test_NDItk_multigroup_LegendreMoment.py )
+add_python_test( multigroup.ScatteringMatrix              multigroup/Test_NDItk_multigroup_ScatteringMatrix.py )
 
 add_python_test( MultigroupTable   Test_NDItk_MultigroupTable.py )
diff --git a/python/src/MultigroupTable.python.cpp b/python/src/MultigroupTable.python.cpp
@@ -25,6 +25,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
   using OutgoingParticleTransportData = njoy::NDItk::multigroup::OutgoingParticleTransportData;
   using HeatingNumbers = njoy::NDItk::multigroup::HeatingNumbers;
   using Kerma = njoy::NDItk::multigroup::Kerma;
+  using ScatteringMatrix = njoy::NDItk::multigroup::ScatteringMatrix;
 
   // wrap views created by this table
 
@@ -47,12 +48,14 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
                   Velocities,
                   FluxWeights,
                   ReactionCrossSections,
+                  ScatteringMatrix,
                   std::optional< std::string >,
                   std::optional< double >,
                   std::optional< TotalCrossSection >,
                   std::optional< AverageFissionEnergyRelease >,
                   std::optional< OutgoingParticleTypes >,
                   std::optional< OutgoingParticleTransportData >,
+                  std::vector< ScatteringMatrix >,
                   std::optional< HeatingNumbers >,
                   std::vector< HeatingNumbers >,
                   std::optional< Kerma >,
@@ -62,13 +65,14 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     python::arg( "temperature" ), python::arg( "dilution" ),
     python::arg( "structure" ), python::arg( "outgoing" ),
     python::arg( "velocities" ), python::arg( "flux" ),
-    python::arg( "xs" ),
+    python::arg( "xs" ), python::arg( "scattering" ),
     python::arg( "source" ) = std::nullopt,
     python::arg( "weight" ) = std::nullopt,
     python::arg( "total" ) = std::nullopt,
     python::arg( "release" ) = std::nullopt,
     python::arg( "types" ) = std::nullopt,
     python::arg( "transport" ) = std::nullopt,
+    python::arg( "production" ) = std::vector< ScatteringMatrix >{},
     python::arg( "primary_heating" ) = std::nullopt,
     python::arg( "outgoing_heating" ) = std::vector< HeatingNumbers >{},
     python::arg( "primary_kerma" ) = std::nullopt,
@@ -88,6 +92,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     "    velocities         the velocities\n"
     "    flux               the flux weights\n"
     "    xs                 the reaction cross section data\n"
+    "    scattering         the scattering matrix\n"
     "    source             the source date (optional)\n"
     "    weight             the atomic weight of the target (optional)\n"
     "    total              the total cross section (optional)\n"
@@ -123,6 +128,12 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     &Table::fluxWeights,
     "The flux weight record"
   )
+  .def_property_readonly(
+
+    "total_cross_section",
+    &Table::totalCrossSection,
+    "The total cross section record"
+  )
   .def_property_readonly(
 
     "reaction_cross_sections",
@@ -131,9 +142,9 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
   )
   .def_property_readonly(
 
-    "total_cross_section",
-    &Table::totalCrossSection,
-    "The total cross section record"
+    "scattering_matrix",
+    &Table::scatteringMatrix,
+    "The scattering matrix record"
   )
   .def_property_readonly(
 
@@ -175,6 +186,16 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
     "    self       the table\n"
     "    particle   the outgoing particle identifier"
   )
+  .def(
+
+    "outgoing_production_matrix",
+    &Table::outgoingProductionMatrix,
+    python::arg( "particle" ),
+    "The production record for an outgoing particle\n\n"
+    "Arguments:\n"
+    "    self       the table\n"
+    "    particle   the outgoing particle identifier"
+  )
   .def(
 
     "outgoing_heating_numbers",

diff --git a/python/src/multigroup.python.cpp b/python/src/multigroup.python.cpp
@@ -22,6 +22,8 @@ namespace multigroup {
   void wrapAverageFissionEnergyRelease( python::module&, python::module& );
   void wrapOutgoingParticleTypes( python::module&, python::module& );
   void wrapOutgoingParticleTransportData( python::module&, python::module& );
+  void wrapLegendreMoment( python::module&, python::module& );
+  void wrapScatteringMatrix( python::module&, python::module& );
 }
 
 void wrapMultigroup( python::module& module, python::module& viewmodule ) {
@@ -45,4 +47,6 @@ void wrapMultigroup( python::module& module, python::module& viewmodule ) {
   multigroup::wrapAverageFissionEnergyRelease( submodule, viewmodule );
   multigroup::wrapOutgoingParticleTypes( submodule, viewmodule );
   multigroup::wrapOutgoingParticleTransportData( submodule, viewmodule );
+  multigroup::wrapLegendreMoment( submodule, viewmodule );
+  multigroup::wrapScatteringMatrix( submodule, viewmodule );
 }
diff --git a/python/src/multigroup/EnergyGroupStructure.python.cpp b/python/src/multigroup/EnergyGroupStructure.python.cpp
@@ -49,6 +49,12 @@ void wrapEnergyGroupStructure( python::module& module, python::module& ) {
     "    particle      the secondary particle identifier\n"
     "    boundaries    the group structure boundaries"
   )
+  .def_property_readonly(
+
+    "particle",
+    [] ( const Record& self ) { return self.particle(); },
+    "The particle identifier"
+  )
   .def_property_readonly(
 
     "number_groups",
@@ -58,7 +64,7 @@ void wrapEnergyGroupStructure( python::module& module, python::module& ) {
   .def_static(
 
     "from_string",
-    [] ( const std::string& string, std::size_t number ) -> Record
+    [] ( const std::string& string, unsigned int number ) -> Record
        { return readWithSubtype< Record >( string, number ); },
     python::arg( "string" ), python::arg( "number" ),
     "Read the record from a string\n\n"

diff --git a/python/src/multigroup/FluxWeights.python.cpp b/python/src/multigroup/FluxWeights.python.cpp
@@ -48,7 +48,7 @@ void wrapFluxWeights( python::module& module, python::module& ) {
   .def_static(
 
     "from_string",
-    [] ( const std::string& string, std::size_t number ) -> Record
+    [] ( const std::string& string, unsigned int number ) -> Record
        { return read< Record >( string, number ); },
     python::arg( "string" ), python::arg( "number" ),
     "Read the record from a string\n\n"

diff --git a/python/src/multigroup/HeatingNumbers.python.cpp b/python/src/multigroup/HeatingNumbers.python.cpp
@@ -49,6 +49,12 @@ void wrapHeatingNumbers( python::module& module, python::module& ) {
     "    particle    the secondary particle identifier\n"
     "    values      the heating numbers"
   )
+  .def_property_readonly(
+
+    "particle",
+    [] ( const Record& self ) { return self.particle(); },
+    "The particle identifier"
+  )
   .def_property_readonly(
 
     "number_groups",
@@ -58,7 +64,7 @@ void wrapHeatingNumbers( python::module& module, python::module& ) {
   .def_static(
 
     "from_string",
-    [] ( const std::string& string, std::size_t number ) -> Record
+    [] ( const std::string& string, unsigned int number ) -> Record
        { return readWithSubtype< Record >( string, number ); },
     python::arg( "string" ), python::arg( "number" ),
     "Read the record from a string\n\n"

diff --git a/python/src/multigroup/Kerma.python.cpp b/python/src/multigroup/Kerma.python.cpp
@@ -49,6 +49,12 @@ void wrapKerma( python::module& module, python::module& ) {
     "    particle    the secondary particle identifier\n"
     "    values      the kerma values"
   )
+  .def_property_readonly(
+
+    "particle",
+    [] ( const Record& self ) { return self.particle(); },
+    "The particle identifier"
+  )
   .def_property_readonly(
 
     "number_groups",
@@ -58,7 +64,7 @@ void wrapKerma( python::module& module, python::module& ) {
   .def_static(
 
     "from_string",
-    [] ( const std::string& string, std::size_t number ) -> Record
+    [] ( const std::string& string, unsigned int number ) -> Record
        { return readWithSubtype< Record >( string, number ); },
     python::arg( "string" ), python::arg( "number" ),
     "Read the record from a string\n\n"

diff --git a/python/src/multigroup/LegendreMoment.python.cpp b/python/src/multigroup/LegendreMoment.python.cpp
@@ -0,0 +1,87 @@
+// system includes
+#include <pybind11/pybind11.h>
+#include <pybind11/stl.h>
+
+// local includes
+#include "NDItk/multigroup/LegendreMoment.hpp"
+#include "tools/views/views-python.hpp"
+#include "definitions.hpp"
+
+// namespace aliases
+namespace python = pybind11;
+
+namespace multigroup {
+
+void wrapLegendreMoment( python::module& module, python::module& ) {
+
+  // type aliases
+  using Record = njoy::NDItk::multigroup::LegendreMoment;
+
+  // wrap views created by this record
+
+  // create the record
+  python::class_< Record > record(
+
+    module,
+    "LegendreMoment",
+    "A Legendre moment subrecord for multigroup neutron and photon data"
+  );
+
+  // wrap the record
+  record
+  .def(
+
+    python::init< int, std::vector< double >, unsigned int >(),
+    python::arg( "order" ), python::arg( "values" ),
+    python::arg( "incident" ),
+    "Initialise the subrecord\n\n"
+    "Arguments:\n"
+    "    self        the record\n"
+    "    order       the Legendre order\n"
+    "    values      the values of the matrix\n"
+    "    incident    the number of primary groups"
+  )
+  .def(
+
+    python::init< int, std::vector< double >, unsigned int, unsigned int >(),
+    python::arg( "order" ), python::arg( "values" ),
+    python::arg( "incident" ), python::arg( "outgoing" ),
+    "Initialise the subrecord\n\n"
+    "Arguments:\n"
+    "    self        the record\n"
+    "    order       the Legendre order\n"
+    "    values      the values of the matrix\n"
+    "    incident    the number of primary groups\n"
+    "    outgoing    the number of outgoing groups"
+  )
+  .def_property_readonly(
+
+    "order",
+    &Record::order,
+    "The Legendre moment order"
+  )
+  .def_property_readonly(
+
+    "number_primary_groups",
+    &Record::numberPrimaryGroups,
+    "The number of incident groups"
+  )
+  .def_property_readonly(
+
+    "number_outgoing_groups",
+    &Record::numberOutgoingGroups,
+    "The number of outgoing groups"
+  )
+  .def_property_readonly(
+
+    "matrix",
+    [] ( const Record& self ) -> DoubleRange2D
+       { return self.matrix(); },
+    "The matrix defined by this subrecord"
+  );
+
+  // add standard record definitions
+  addStandardSubrecordDefinitions< Record, DoubleRange >( record );
+}
+
+} // multigroup namespace
diff --git a/python/src/multigroup/Metadata.python.cpp b/python/src/multigroup/Metadata.python.cpp
@@ -35,15 +35,15 @@ void wrapMetadata( python::module& module, python::module& ) {
     python::init< std::string, std::string, std::string,
                   double, double, double,
                   unsigned int, std::map< unsigned int, unsigned int >,
-                  unsigned int,
+                  unsigned int, unsigned int,
                   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( "outgoing" ), python::arg( "reactions" ), python::arg( "legendre" ),
     python::arg( "source" ) = std::nullopt,
     python::arg( "weight" ) = std::nullopt,
     python::arg( "upscatter" ) = std::nullopt,
@@ -61,6 +61,7 @@ void wrapMetadata( python::module& module, python::module& ) {
     "    groups         the number of groups in the primary group structure\n"
     "    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"
     "    source         the source date (optional)\n"
     "    weight         the atomic weight of the target (optional)\n"
     "    upscatter      the number of upscatter groups (optional)\n"
@@ -122,22 +123,28 @@ void wrapMetadata( python::module& module, python::module& ) {
   )
   .def_property_readonly(
 
-    "number_upscatter_groups",
-    &Record::numberUpscatterGroups,
-    "The number of upscatter groups defined by this record"
+    "number_legendre_moments",
+    &Record::numberLegendreMoments,
+    "The number of Legendre moments defined by this record"
   )
   .def_property_readonly(
 
-    "number_outgoing_particles",
-    &Record::numberOutgoingParticles,
-    "The number of outgoing particles by this record"
+    "number_upscatter_groups",
+    &Record::numberUpscatterGroups,
+    "The number of upscatter groups defined by this record"
   )
   .def_property_readonly(
 
     "number_downscatter_groups",
     &Record::numberDownscatterGroups,
     "The number of downscatter groups defined by this record"
   )
+  .def_property_readonly(
+
+    "number_outgoing_particles",
+    &Record::numberOutgoingParticles,
+    "The number of outgoing particles by this record"
+  )
   .def(
 
     "number_outgoing_groups",

diff --git a/python/src/multigroup/OutgoingParticleTransportData.python.cpp b/python/src/multigroup/OutgoingParticleTransportData.python.cpp
@@ -48,7 +48,7 @@ void wrapOutgoingParticleTransportData( python::module& module, python::module&
   .def_static(
 
     "from_string",
-    [] ( const std::string& string, std::size_t number ) -> Record
+    [] ( const std::string& string, unsigned int number ) -> Record
        { return read< Record >( string, number ); },
     python::arg( "string" ), python::arg( "number" ),
     "Read the record from a string\n\n"

diff --git a/python/src/multigroup/OutgoingParticleTypes.python.cpp b/python/src/multigroup/OutgoingParticleTypes.python.cpp
@@ -48,7 +48,7 @@ void wrapOutgoingParticleTypes( python::module& module, python::module& ) {
   .def_static(
 
     "from_string",
-    [] ( const std::string& string, std::size_t number ) -> Record
+    [] ( const std::string& string, unsigned int number ) -> Record
        { return read< Record >( string, number ); },
     python::arg( "string" ), python::arg( "number" ),
     "Read the record from a string\n\n"