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Merge branch 'feature/tsl-part3' into 'develop'
Feature/tsl part3 See merge request njoy/dryad!119
2 parents cbc678d + 8712a20 commit effc4d5

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‎cmake/unit_testing.cmake‎

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@@ -222,10 +222,12 @@ add_cpp_test( dryad.format.endf.createEndfInterpolants
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add_cpp_test( dryad.format.endf.createEndfSublibraryType dryad/format/endf/createEndfSublibraryType.test.cpp )
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add_cpp_test( dryad.format.endf.atomic.createEndfSubshellDesignator dryad/format/endf/atomic/createEndfSubshellDesignator.test.cpp )
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add_cpp_test( dryad.format.endf.atomic.createEndfSubshellData dryad/format/endf/atomic/createEndfSubshellData.test.cpp )
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add_cpp_test( dryad.format.endf.thermal.createEndfIncoherentElastic dryad/format/endf/thermal/createEndfIncoherentElastic.test.cpp )
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add_cpp_test( dryad.format.endf.createEndfFile3Section dryad/format/endf/createEndfFile3Section.test.cpp )
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add_cpp_test( dryad.format.endf.createEndfFile23Section dryad/format/endf/createEndfFile23Section.test.cpp )
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add_cpp_test( dryad.format.endf.createAtomicRelaxationEndfFile dryad/format/endf/createAtomicRelaxationEndfFile.test.cpp )
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add_cpp_test( dryad.format.endf.createProjectileTargetEndfFile dryad/format/endf/createProjectileTargetEndfFile.test.cpp )
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add_cpp_test( dryad.format.endf.createThermalScatteringEndfFile dryad/format/endf/createThermalScatteringEndfFile.test.cpp )
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add_cpp_test( dryad.format.gnds.convertEnergy dryad/format/gnds/convertEnergy.test.cpp )
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add_cpp_test( dryad.format.gnds.convertEnergies dryad/format/gnds/convertEnergies.test.cpp )

‎docs/src/dryad/ThermalScattering.rst‎

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@@ -20,6 +20,13 @@ Read from File
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~ThermalScattering.from_endf_file
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~ThermalScattering.from_gnds_file
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Write to File
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~~~~~~~~~~~~~
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.. autosummary::
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:toctree: generated/
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~ThermalScattering.to_endf_file
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Modifiable Attributes
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~~~~~~~~~~~~~~~~~~~~~
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.. autosummary::

‎python/src/dryad/ThermalScattering.python.cpp‎

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#include "dryad/definitions.hpp"
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#include "njoy/dryad/ThermalScattering.hpp"
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#include "njoy/dryad/format/endf/createThermalScatteringFromFile.hpp"
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#include "njoy/dryad/format/endf/createThermalScatteringEndfFile.hpp"
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#include "njoy/dryad/format/gnds/createThermalScatteringFromFile.hpp"
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// namespace aliases
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" the GNDS file name\n"
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" style : string\n"
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" the GNDS style to process (default is eval)"
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)
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.def(
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"to_endf_file",
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[] ( const Component& self, int za, int mat, const std::string& filename ) {
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njoy::dryad::format::endf::createThermalScatteringEndfFile( self, za, mat, filename );
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},
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python::arg( "za" ), python::arg( "mat" ), python::arg( "filename" ),
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"Write the ThermalScattering data to an ENDF file\n\n"
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"Parameters\n"
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"----------\n"
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" za : int\n"
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" the ENDF za number to be used\n"
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" mat : int\n"
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" the ENDF mat number to be used\n"
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" filename : string\n"
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" the ENDF file name\n"
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);
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// add standard equality comparison definitions

‎src/njoy/dryad/format/endf/createThermalScatteringEndfFile.hpp‎

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#ifndef NJOY_DRYAD_FORMAT_ENDF_CREATETHERMALSCATTERINGENDFFILE
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#define NJOY_DRYAD_FORMAT_ENDF_CREATETHERMALSCATTERINGENDFFILE
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// system includes
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#include <fstream>
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#include <vector>
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// other includes
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#include "tools/Log.hpp"
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#include "njoy/dryad/format/endf/thermal/createEndfIncoherentElastic.hpp"
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#include "njoy/dryad/format/endf/createDocumentation.hpp"
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#include "njoy/dryad/ThermalScattering.hpp"
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#include "ENDFtk/Material.hpp"
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#include "ENDFtk/tree/Material.hpp"
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#include "ENDFtk/tree/updateDirectory.hpp"
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namespace njoy {
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namespace dryad {
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namespace format {
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namespace endf {
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/**
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* @brief Create an ENDF thermal scattering file
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*
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* @param[in] tsl the thermal scattering data
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* @param[in] za the za number
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* @param[in] mat the ENDF mat number
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* @param[in] filename the file name for the ENDF file
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*/
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inline void createThermalScatteringEndfFile( const ThermalScattering& tsl,
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int za,
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int mat,
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const std::string& filename ) {
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int zaid = za;
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double awr = tsl.documentation().awr().has_value()
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? tsl.documentation().awr().value()
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: 0.;
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int lrp = -1;
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int lfi = 0;
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int nlib = tsl.documentation().library().has_value()
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? tsl.documentation().library().value()
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: 0;
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int nmod = 0;
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double elis = 0;
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double sta = 0;
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int lis = 0;
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int liso = 0;
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int nfor = 6;
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double awi = 1; // neutrons
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double emax = 0;
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int lrel = tsl.documentation().version().has_value()
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? tsl.documentation().version()->second
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: 0;
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int nsub = 12;
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int nver = tsl.documentation().version().has_value()
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? tsl.documentation().version()->first
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: 0;
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double temp = 0;
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int ldrv = 0;
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std::string description = tsl.documentation().description().has_value()
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? tsl.documentation().description().value()
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: "";
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// create MF1 MT451 section for this data
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ENDFtk::section::Type< 1, 451 >
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information( zaid, awr, lrp, lfi, nlib, nmod,
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elis, sta, lis, liso, nfor,
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awi, emax, lrel, nsub, nver,
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temp, ldrv, std::move( description ),
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{ ENDFtk::DirectoryRecord( 1, 451, 1, 0 ) } );
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// create material
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ENDFtk::tree::Material material( mat );
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material.insert( information );
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// inser elastic if there is data
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if ( tsl.hasElasticScattering() ) {
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if ( tsl.hasCoherentElasticScattering() &&
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tsl.hasIncoherentElasticScattering() ) {
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// unreachable for now
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}
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else if ( tsl.hasCoherentElasticScattering() ) {
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// unreachable for now
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}
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else {
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ENDFtk::section::Type< 7, 2 >
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elastic( zaid, awr,
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thermal::createEndfIncoherentElastic( tsl.incoherentElasticScattering().value() ) );
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material.insert( elastic );
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}
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}
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// insert inelastic if there is data
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if ( tsl.hasInelasticScattering() ) {
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// unreachable for now
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}
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// update index
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ENDFtk::tree::updateDirectory( material );
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// add create tape
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ENDFtk::TapeIdentification id( "Thermal scattering data" );
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ENDFtk::tree::Tape tape( std::move( id ) );
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tape.insert( std::move( material ) );
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// print to file
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std::ofstream out( filename, std::ios::binary );
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out << tape.content();
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out.close();
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}
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} // endf namespace
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} // format namespace
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} // dryad namespace
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} // njoy namespace
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#endif

‎src/njoy/dryad/format/endf/thermal/createEndfIncoherentElastic.hpp‎

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#ifndef NJOY_DRYAD_FORMAT_ENDF_THERMAL_CREATEENDFINCOHERENTELASTIC
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#define NJOY_DRYAD_FORMAT_ENDF_THERMAL_CREATEENDFINCOHERENTELASTIC
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// system includes
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#include <vector>
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// other includes
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#include "njoy/dryad/thermal/IncoherentElasticScattering.hpp"
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#include "njoy/dryad/format/endf/createEndfInterpolants.hpp"
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#include "njoy/dryad/format/endf/createEndfBoundaries.hpp"
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#include "ENDFtk/section/7/2.hpp"
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namespace njoy {
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namespace dryad {
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namespace format {
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namespace endf {
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namespace thermal {
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/**
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* @brief Create an ENDF MF7 MT2 IncoherentElastic object from an
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* IncoherentElasticScattering object
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*
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* @param[in] incoherent the incoherent elastic data
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*/
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inline ENDFtk::section::Type< 7, 2 >::IncoherentElastic
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createEndfIncoherentElastic( const dryad::thermal::IncoherentElasticScattering& incoherent ) {
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double sb = incoherent.boundCrossSection();
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std::vector< long > boundaries = createEndfBoundaries( incoherent.debyeWallerIntegral().boundaries() );
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std::vector< long > interpolants = createEndfInterpolants( incoherent.debyeWallerIntegral().interpolants() );
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std::vector< double > temperatures = incoherent.debyeWallerIntegral().temperatures();
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std::vector< double > integrals = incoherent.debyeWallerIntegral().values();
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return ENDFtk::section::Type< 7, 2 >::IncoherentElastic(
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sb,
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std::move( boundaries ),
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std::move( interpolants ),
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std::move( temperatures ),
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std::move( integrals ) );
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}
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} // atomic namespace
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} // endf namespace
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} // format namespace
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} // dryad namespace
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} // njoy namespace
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#endif

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