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Adding transport data to the table
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@whaeck
whaeck committed May 17, 2024
1 parent b85db61 commit 0526a03
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Showing 6 changed files with 123 additions and 51 deletions.
48 changes: 29 additions & 19 deletions python/src/MultigroupTable.python.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
using ReactionCrossSections = njoy::NDItk::multigroup::ReactionCrossSections;
using AverageFissionEnergyRelease = njoy::NDItk::multigroup::AverageFissionEnergyRelease;
using OutgoingParticleTypes = njoy::NDItk::multigroup::OutgoingParticleTypes;
using OutgoingParticleTransportData = njoy::NDItk::multigroup::OutgoingParticleTransportData;
using HeatingNumbers = njoy::NDItk::multigroup::HeatingNumbers;
using Kerma = njoy::NDItk::multigroup::Kerma;

Expand Down Expand Up @@ -51,6 +52,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
std::optional< TotalCrossSection >,
std::optional< AverageFissionEnergyRelease >,
std::optional< OutgoingParticleTypes >,
std::optional< OutgoingParticleTransportData >,
std::optional< HeatingNumbers >,
std::vector< HeatingNumbers >,
std::optional< Kerma >,
Expand All @@ -66,6 +68,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
python::arg( "total" ) = std::nullopt,
python::arg( "release" ) = std::nullopt,
python::arg( "types" ) = std::nullopt,
python::arg( "transport" ) = std::nullopt,
python::arg( "primary_heating" ) = std::nullopt,
python::arg( "outgoing_heating" ) = std::vector< HeatingNumbers >{},
python::arg( "primary_kerma" ) = std::nullopt,
Expand All @@ -90,6 +93,7 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
" total the total cross section (optional)\n"
" release the average fission energy release data (optional)\n"
" types the outgoing particle types (optional)\n"
" transport the outgoing particle transport data (optional)\n"
" primary_heating the primary heating numbers (optional)\n"
" outgoing_heating the outgoing particle heating numbers (optional)\n"
" primary_kerma the primary kerma (optional)\n"
Expand All @@ -107,16 +111,6 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
&Table::primaryGroupBoundaries,
"The primary group structure record"
)
.def(

"outgoing_group_boundaries",
&Table::outgoingGroupBoundaries,
python::arg( "particle" ),
"The group structure record for an outgoing particle\n\n"
"Arguments:\n"
" self the table\n"
" particle the outgoing particle identifier"
)
.def_property_readonly(

"velocities",
Expand Down Expand Up @@ -147,6 +141,18 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
&Table::averageFissionEnergyRelease,
"The average fission energy release record"
)
.def_property_readonly(

"primary_heating_numbers",
&Table::primaryHeatingNumbers,
"The primary heating numbers record"
)
.def_property_readonly(

"primary_kerma",
&Table::primaryKerma,
"The primary kerma record"
)
.def_property_readonly(

"outgoing_particle_types",
Expand All @@ -155,9 +161,19 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
)
.def_property_readonly(

"primary_heating_numbers",
&Table::primaryHeatingNumbers,
"The primary heating numbers record"
"outgoing_particle_transport_data",
&Table::outgoingParticleTransportData,
"The outgoing particle transport data record"
)
.def(

"outgoing_group_boundaries",
&Table::outgoingGroupBoundaries,
python::arg( "particle" ),
"The group structure record for an outgoing particle\n\n"
"Arguments:\n"
" self the table\n"
" particle the outgoing particle identifier"
)
.def(

Expand All @@ -169,12 +185,6 @@ void wrapMultigroupTable( python::module& module, python::module& ) {
" self the table\n"
" particle the outgoing particle identifier"
)
.def_property_readonly(

"primary_kerma",
&Table::primaryKerma,
"The primary kerma record"
)
.def(

"outgoing_kerma",
Expand Down
74 changes: 45 additions & 29 deletions python/test/Test_NDItk_MultigroupTable.py
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Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,8 @@
from NDItk.multigroup import Velocities
from NDItk.multigroup import HeatingNumbers
from NDItk.multigroup import Kerma
from NDItk.multigroup import OutgoingParticleTypes
from NDItk.multigroup import OutgoingParticleTransportData

class Test_NDItk_MultigroupTable( unittest.TestCase ) :
"""Unit test for the MultigroupTable class."""
Expand Down Expand Up @@ -49,21 +51,6 @@ def verify_chunk( self, chunk ) :
self.assertAlmostEqual( 1, structure.values[6] )
self.assertAlmostEqual( 1e-11, structure.values[7] )

# verify content - outgoing energy boundaries: 0
structure = chunk.outgoing_group_boundaries( 0 )
self.assertEqual( 3, structure.number_groups )
self.assertAlmostEqual( 20, structure.values[0] )
self.assertAlmostEqual( 10, structure.values[1] )
self.assertAlmostEqual( 5, structure.values[2] )
self.assertAlmostEqual( 1e-11, structure.values[3] )

# verify content - outgoing energy boundaries: 1001
structure = chunk.outgoing_group_boundaries( 1001 )
self.assertEqual( 2, structure.number_groups )
self.assertAlmostEqual( 20, structure.values[0] )
self.assertAlmostEqual( 10, structure.values[1] )
self.assertAlmostEqual( 1e-11, structure.values[2] )

# verify content - velocities
velocities = chunk.velocities
self.assertEqual( 7, velocities.number_groups )
Expand Down Expand Up @@ -166,18 +153,17 @@ def verify_chunk( self, chunk ) :
self.assertAlmostEqual( 66, heating.values[5] )
self.assertAlmostEqual( 77, heating.values[6] )

# verify content - outgoing heating numbers: 0
heating = chunk.outgoing_heating_numbers( 0 )
self.assertEqual( 3, heating.number_groups )
self.assertAlmostEqual( 21 , heating.values[0] )
self.assertAlmostEqual( 11 , heating.values[1] )
self.assertAlmostEqual( 5.1, heating.values[2] )
# verify content - outgoing particle types
types = chunk.outgoing_particle_types
self.assertEqual( 2, types.number_outgoing_particles )
self.assertEqual( 0, types.values[0] )
self.assertEqual( 1001, types.values[1] )

# verify content - outgoing energy boundaries: 1001
heating = chunk.outgoing_heating_numbers( 1001 )
self.assertEqual( 2, heating.number_groups )
self.assertAlmostEqual( 25, heating.values[0] )
self.assertAlmostEqual( 15, heating.values[1] )
# verify content - outgoing particle transport data
transport = chunk.outgoing_particle_transport_data
self.assertEqual( 2, transport.number_outgoing_particles )
self.assertEqual( '92000', transport.values[0] )
self.assertEqual( '92235.proton', transport.values[1] )

# verify content - primary kerma
kerma = chunk.primary_kerma
Expand All @@ -190,6 +176,34 @@ def verify_chunk( self, chunk ) :
self.assertAlmostEqual( 660, kerma.values[5] )
self.assertAlmostEqual( 770, kerma.values[6] )

# verify content - outgoing energy boundaries: 0
structure = chunk.outgoing_group_boundaries( 0 )
self.assertEqual( 3, structure.number_groups )
self.assertAlmostEqual( 20, structure.values[0] )
self.assertAlmostEqual( 10, structure.values[1] )
self.assertAlmostEqual( 5, structure.values[2] )
self.assertAlmostEqual( 1e-11, structure.values[3] )

# verify content - outgoing energy boundaries: 1001
structure = chunk.outgoing_group_boundaries( 1001 )
self.assertEqual( 2, structure.number_groups )
self.assertAlmostEqual( 20, structure.values[0] )
self.assertAlmostEqual( 10, structure.values[1] )
self.assertAlmostEqual( 1e-11, structure.values[2] )

# verify content - outgoing heating numbers: 0
heating = chunk.outgoing_heating_numbers( 0 )
self.assertEqual( 3, heating.number_groups )
self.assertAlmostEqual( 21 , heating.values[0] )
self.assertAlmostEqual( 11 , heating.values[1] )
self.assertAlmostEqual( 5.1, heating.values[2] )

# verify content - outgoing heating numbers: 1001
heating = chunk.outgoing_heating_numbers( 1001 )
self.assertEqual( 2, heating.number_groups )
self.assertAlmostEqual( 25, heating.values[0] )
self.assertAlmostEqual( 15, heating.values[1] )

# verify content - outgoing kerma: 0
kerma = chunk.outgoing_kerma( 0 )
self.assertEqual( 3, kerma.number_groups )
Expand All @@ -208,8 +222,6 @@ def verify_chunk( self, chunk ) :
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 ] ),
outgoing = [ EnergyGroupStructure( 0, [ 20., 10., 5, 1e-11 ] ),
EnergyGroupStructure( 1001, [ 20., 10., 1e-11 ] ) ],
velocities = Velocities( [ 2.1, 2.2, 2.25, 2.05, 2.15, 2.04, 2.06 ] ),
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 ] ),
Expand All @@ -219,9 +231,13 @@ def verify_chunk( self, chunk ) :
release = AverageFissionEnergyRelease( 202.827, 181.238898, 4.827645,
7.281253, 6.5, 169.13 ),
primary_heating = HeatingNumbers( [ 11., 22., 33., 44., 55., 66., 77. ] ),
primary_kerma = Kerma( [ 110., 220., 330., 440., 550., 660., 770. ] ),
types = OutgoingParticleTypes( [ 0, 1001 ] ),
transport = OutgoingParticleTransportData( [ "92000", "92235.proton" ] ),
outgoing = [ EnergyGroupStructure( 0, [ 20., 10., 5, 1e-11 ] ),
EnergyGroupStructure( 1001, [ 20., 10., 1e-11 ] ) ],
outgoing_heating = [ HeatingNumbers( 0, [ 21., 11., 5.1 ] ),
HeatingNumbers( 1001, [ 25., 15. ] ) ],
primary_kerma = Kerma( [ 110., 220., 330., 440., 550., 660., 770. ] ),
outgoing_kerma = [ Kerma( 0, [ 210., 110., 51. ] ),
Kerma( 1001, [ 250., 150. ] ) ] )

Expand Down
12 changes: 12 additions & 0 deletions src/NDItk/MultigroupTable.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@
#include "NDItk/multigroup/TotalCrossSection.hpp"
#include "NDItk/multigroup/AverageFissionEnergyRelease.hpp"
#include "NDItk/multigroup/OutgoingParticleTypes.hpp"
#include "NDItk/multigroup/OutgoingParticleTransportData.hpp"
#include "NDItk/multigroup/HeatingNumbers.hpp"
#include "NDItk/multigroup/Kerma.hpp"

Expand All @@ -36,6 +37,7 @@ class MultigroupTable {
multigroup::HeatingNumbers primary_heating_;
multigroup::Kerma primary_kerma_;
multigroup::OutgoingParticleTypes outgoing_particles_;
multigroup::OutgoingParticleTransportData outgoing_zaids_;
std::vector< multigroup::EnergyGroupStructure > outgoing_structure_;
std::vector< multigroup::HeatingNumbers > outgoing_heating_;
std::vector< multigroup::Kerma > outgoing_kerma_;
Expand Down Expand Up @@ -134,6 +136,15 @@ class MultigroupTable {
return this->outgoing_particles_;
}

/**
* @brief Return the outgoing particle transport data record
*/
const multigroup::OutgoingParticleTransportData&
outgoingParticleTransportData() const {

return this->outgoing_zaids_;
}

/**
* @brief Return the group structure record for an outgoing particle
*/
Expand Down Expand Up @@ -228,6 +239,7 @@ class MultigroupTable {
this->primary_heating_.print( iter );
this->primary_kerma_.print( iter );
this->outgoing_particles_.print( iter );
this->outgoing_zaids_.print( iter );
for ( const auto& entry : this->outgoing_structure_ ) { entry.print( iter ); }
for ( const auto& entry : this->outgoing_heating_ ) { entry.print( iter ); }
for ( const auto& entry : this->outgoing_kerma_ ) { entry.print( iter ); }
Expand Down
6 changes: 6 additions & 0 deletions src/NDItk/MultigroupTable/src/ctor.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -28,6 +28,7 @@ MultigroupTable() :
* @param[in] weight the atomic weight of the target (optional)
* @param[in] release the average fission energy release data (optional)
* @param[in] types the outgoing particle types (optional)
* @param[in] transport the outgoing particle transport data (optional)
* @param[in] primaryHeating the primary particle heating numbers (optional)
* @param[in] outgoingHeating the outgoing particles' heating numbers (optional)
* @param[in] primaryKerma the primary particle kerma (optional)
Expand All @@ -46,6 +47,7 @@ MultigroupTable( std::string zaid, std::string libname,
std::optional< multigroup::TotalCrossSection > total = std::nullopt,
std::optional< multigroup::AverageFissionEnergyRelease > release = std::nullopt,
std::optional< multigroup::OutgoingParticleTypes > types = std::nullopt,
std::optional< multigroup::OutgoingParticleTransportData > transport = std::nullopt,
std::optional< multigroup::HeatingNumbers > primaryHeating = std::nullopt,
std::vector< multigroup::HeatingNumbers > outgoingHeating = {},
std::optional< multigroup::Kerma > primaryKerma = std::nullopt,
Expand Down Expand Up @@ -80,5 +82,9 @@ MultigroupTable( std::string zaid, std::string libname,

this->outgoing_particles_ = std::move( types.value() );
}
if ( transport.has_value() ) {

this->outgoing_zaids_ = std::move( transport.value() );
}
this->verify();
}
16 changes: 15 additions & 1 deletion src/NDItk/MultigroupTable/src/read.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -130,7 +130,21 @@ void read( Iterator& iter, const Iterator& end ) {
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" );
Log::info( "Required metadata is missing: number of outgoing particle types" );
throw std::exception();
}
}
// outgoing particle transport data
else if ( keyword == this->outgoing_zaids_.keyword() ) {

if ( this->metadata_.numberOutgoingParticles().has_value() ) {

readRecord( this->outgoing_zaids_, iter, end, this->metadata_.numberOutgoingParticles().value() );
}
else {

Log::error( "Metadata required for the \'\' record was not found", keyword );
Log::info( "Required metadata is missing: number of outgoing particle types" );
throw std::exception();
}
}
Expand Down
18 changes: 16 additions & 2 deletions src/NDItk/MultigroupTable/test/MultigroupTable.test.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -46,6 +46,7 @@ SCENARIO( "MultigroupTable" ) {
7.281253, 6.5, 169.13 );
multigroup::HeatingNumbers primaryHeating( { 11., 22., 33., 44., 55., 66., 77. } );
multigroup::OutgoingParticleTypes types( { 0, 1001 } );
multigroup::OutgoingParticleTransportData transport( { "92000", "92235.proton" } );
std::vector< multigroup::HeatingNumbers > outgoingHeating = {
{ 0, { 21., 11., 5.1 } },
{ 1001, { 25., 15. } }
Expand All @@ -62,7 +63,7 @@ SCENARIO( "MultigroupTable" ) {
std::move( velocities ), std::move( weights ),
std::move( xs ), std::move( source ), weight,
std::move( total ), std::move( release ),
std::move( types ),
std::move( types ), std::move( transport ),
std::move( primaryHeating ), std::move( outgoingHeating ),
std::move( primaryKerma ), std::move( outgoingKerma ) );

Expand Down Expand Up @@ -142,6 +143,7 @@ SCENARIO( "MultigroupTable" ) {
multigroup::AverageFissionEnergyRelease release( 202.827, 181.238898, 4.827645,
7.281253, 6.5, 169.13 );
multigroup::OutgoingParticleTypes types( { 0, 1001 } );
multigroup::OutgoingParticleTransportData transport( { "92000", "92235.proton" } );
multigroup::HeatingNumbers primaryHeating( { 11., 22., 33., 44., 55., 66., 77. } );
std::vector< multigroup::HeatingNumbers > outgoingHeating = {
{ 0, { 21., 11., 5.1 } },
Expand All @@ -161,7 +163,7 @@ SCENARIO( "MultigroupTable" ) {
std::move( weights ), std::move( xs ),
std::move( source ), weight,
std::move( total ), std::move( release ),
std::move( types ),
std::move( types ), std::move( transport ),
std::move( primaryHeating ), std::move( outgoingHeating ),
std::move( primaryKerma ), std::move( outgoingKerma ) ) );
} // THEN
Expand Down Expand Up @@ -227,6 +229,8 @@ std::string chunk() {
" 660 770\n"
"sec_part_types\n"
" 0 1001\n"
"sec_part_zaids\n"
" 92000 92235.proton\n"
"e_bounds_0\n"
" 20 10 5 1e-11\n"
"e_bounds_1001\n"
Expand Down Expand Up @@ -430,6 +434,16 @@ void verifyChunk( const MultigroupTable& chunk ) {
CHECK( 0 == types.values()[0] );
CHECK( 1001 == types.values()[1] );

// outgoing particle transport data
auto transport = chunk.outgoingParticleTransportData();
CHECK( "sec_part_zaids" == transport.keyword() );
CHECK( false == transport.empty() );
CHECK( 2 == transport.size() );
CHECK( 2 == transport.values().size() );
CHECK( 2 == transport.numberOutgoingParticles() );
CHECK( "92000" == transport.values()[0] );
CHECK( "92235.proton" == transport.values()[1] );

// outgoing group structure: 0
structure = chunk.outgoingGroupBoundaries( 0 );
CHECK( "e_bounds_0" == structure.keyword() );
Expand Down

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