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Add python bindings
1 parent 177ef05 commit 0964ad0

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Lines changed: 199 additions & 6 deletions

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‎CMakeLists.txt‎

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@@ -168,6 +168,7 @@ if(ACEtk.python)
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python/src/block/PhotoatomicSubshellTransitionData.python.cpp
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python/src/block/PhotoatomicSubshellTransitionDataBlock.python.cpp
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python/src/block/ElectronTabulatedAngularDistribution.python.cpp
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python/src/block/ElectronElasticAngularDistributionBlock.python.cpp
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python/src/ContinuousEnergyTable.python.cpp
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python/src/DosimetryTable.python.cpp
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python/src/ThermalScatteringTable.python.cpp

‎python/src/ACEtk.python.cpp‎

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@@ -110,6 +110,7 @@ namespace block {
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void wrapPhotoatomicElectronBremsstrahlungBlock( python::module&, python::module& );
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void wrapPhotoelectricCrossSectionBlock( python::module&, python::module& );
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void wrapPhotoatomicSubshellTransitionDataBlock( python::module&, python::module& );
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void wrapElectronElasticAngularDistributionBlock( python::module&, python::module& );
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}
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// declarations - ACE table types
@@ -246,6 +247,7 @@ PYBIND11_MODULE( ACEtk, module ) {
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block::wrapPhotoatomicElectronBremsstrahlungBlock( module, viewmodule );
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block::wrapPhotoelectricCrossSectionBlock( module, viewmodule );
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block::wrapPhotoatomicSubshellTransitionDataBlock( module, viewmodule );
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block::wrapElectronElasticAngularDistributionBlock( module, viewmodule );
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// wrap ACE table types
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wrapContinuousEnergyTable( module, viewmodule );

‎python/src/block/ElectronElasticAngularDistributionBlock.python.cpp‎

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// system includes
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#include <pybind11/pybind11.h>
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#include <pybind11/stl.h>
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// local includes
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#include "ACEtk/block/ElectronElasticAngularDistributionBlock.hpp"
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#include "views.hpp"
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#include "definitions.hpp"
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// namespace aliases
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namespace python = pybind11;
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namespace block {
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void wrapElectronElasticAngularDistributionBlock( python::module& module, python::module& ) {
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// type aliases
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using Block = njoy::ACEtk::block::ElectronElasticAngularDistributionBlock;
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using ElectronTabulatedAngularDistribution = njoy::ACEtk::block::ElectronTabulatedAngularDistribution;
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// wrap views created by this block
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// create the block
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python::class_< Block > block(
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module,
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"ElectronElasticAngularDistributionBlock",
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"The photoatomic and electron ELASI and ELAS block with the elastic scattering\n"
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"angular distribution data\n\n"
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"The ElectronElasticAngularDistributionBlock class a list of electron energies\n"
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"for which angular distribution data is given."
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);
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// wrap the block
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block
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.def(
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python::init< std::vector< ElectronTabulatedAngularDistribution > >(),
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python::arg( "distributions" ),
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"Initialise the block\n\n"
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"Arguments:\n"
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" self the block\n"
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" distributions the angular distribution data"
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)
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.def_property_readonly(
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"NA",
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&Block::NA,
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"The number of available energies"
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)
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.def_property_readonly(
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"number_energy_points",
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&Block::numberEnergyPoints,
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"The number of available energies"
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)
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.def(
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"LAND",
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&Block::LAND,
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python::arg( "index" ),
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"Return the relative angular distribution locator for an energy index\n\n"
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"When the index is out of range an out of range exception is thrown\n"
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"(debug mode only).\n\n"
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" self the block\n"
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" index the index (one-based)"
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)
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.def(
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"angular_distribution_locator",
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&Block::angularDistributionLocator,
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python::arg( "index" ),
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"Return the relative angular distribution locator for an energy index\n\n"
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"When the index is out of range an out of range exception is thrown\n"
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"(debug mode only).\n\n"
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" self the block\n"
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" index the index (one-based)"
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)
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.def_property_readonly(
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"energies",
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[] ( const Block& self ) -> DoubleRange
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{ return self.energies(); },
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"The energy values"
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)
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.def_property_readonly(
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"data",
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&Block::data,
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"The angular distribution data"
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)
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.def(
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"angular_distribution",
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&Block::angularDistribution,
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python::arg( "index" ),
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"Return the angular distribution for an energy index\n\n"
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"When the index is out of range an out of range exception is thrown\n"
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"(debug mode only).\n\n"
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" self the block\n"
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" index the index (one-based)"
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);
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// add standard block definitions
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addStandardBlockDefinitions< Block >( block );
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}
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} // block namespace

‎python/test/CMakeLists.txt‎

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@@ -80,3 +80,4 @@ add_test( NAME ACEtk.python.block.PhotonuclearSecondaryParticleLocatorBlock COMM
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add_test( NAME ACEtk.python.block.PhotoatomicSubshellTransitionData COMMAND ${PYTHON_EXECUTABLE} -m unittest -v test/block/Test_ACEtk_PhotoatomicSubshellTransitionData.py WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/python )
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add_test( NAME ACEtk.python.block.PhotoatomicSubshellTransitionDataBlock COMMAND ${PYTHON_EXECUTABLE} -m unittest -v test/block/Test_ACEtk_PhotoatomicSubshellTransitionDataBlock.py WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/python )
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add_test( NAME ACEtk.python.block.ElectronTabulatedAngularDistribution COMMAND ${PYTHON_EXECUTABLE} -m unittest -v test/block/Test_ACEtk_ElectronTabulatedAngularDistribution.py WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/python )
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add_test( NAME ACEtk.python.block.ElectronElasticAngularDistributionBlock COMMAND ${PYTHON_EXECUTABLE} -m unittest -v test/block/Test_ACEtk_ElectronElasticAngularDistributionBlock.py WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/python )

‎python/test/block/Test_ACEtk_ElectronElasticAngularDistributionBlock.py‎

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# standard imports
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import unittest
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# third party imports
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# local imports
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from ACEtk import ElectronElasticAngularDistributionBlock
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from ACEtk import ElectronTabulatedAngularDistribution
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class Test_ACEtk_ElectronElasticAngularDistributionBlock( unittest.TestCase ) :
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"""Unit test for the ElectronElasticAngularDistributionBlock class."""
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chunk = [ 1e-11, 1e-6, 1e-3, 1.,
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2, 3, 4, 2,
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0, 4, 10, 18,
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-1.0, 1.0, 0., 1.,
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-1.0, 0.0, 1.0, 0., 0.75, 1.,
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-1.0, 0.5, 0.7, 1.0, 0., 0.25, 0.5, 1.,
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-1.0, 1.0, 0., 1. ]
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def test_component( self ) :
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def verify_chunk( self, chunk ) :
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# verify content
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self.assertEqual( False, chunk.empty )
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self.assertEqual( 34, chunk.length )
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self.assertEqual( "ELAS", chunk.name )
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self.assertEqual( 4, chunk.NA )
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self.assertEqual( 4, chunk.number_energy_points )
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self.assertEqual( 4, len( chunk.energies ) )
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self.assertEqual( 4, len( chunk.data ) )
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self.assertEqual( 1, chunk.LAND(1) )
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self.assertEqual( 5, chunk.LAND(2) )
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self.assertEqual( 11, chunk.LAND(3) )
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self.assertEqual( 19, chunk.LAND(4) )
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self.assertEqual( 1, chunk.angular_distribution_locator(1) )
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self.assertEqual( 5, chunk.angular_distribution_locator(2) )
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self.assertEqual( 11, chunk.angular_distribution_locator(3) )
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self.assertEqual( 19, chunk.angular_distribution_locator(4) )
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distribution = chunk.angular_distribution(1)
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self.assertEqual( 1e-11, distribution.energy )
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self.assertEqual( 2, distribution.number_cosines )
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distribution = chunk.angular_distribution(2)
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self.assertEqual( 1e-6, distribution.energy )
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self.assertEqual( 3, distribution.number_cosines )
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distribution = chunk.angular_distribution(3)
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self.assertEqual( 1e-3, distribution.energy )
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self.assertEqual( 4, distribution.number_cosines )
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distribution = chunk.angular_distribution(4)
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self.assertEqual( 1., distribution.energy )
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self.assertEqual( 2, distribution.number_cosines )
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# verify the distributions array
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xss = chunk.xss_array
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for index in range( chunk.length ) :
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self.assertAlmostEqual( self.chunk[index], xss[index] )
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# the data is given explicitly
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chunk = ElectronElasticAngularDistributionBlock(
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distributions = [
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ElectronTabulatedAngularDistribution( 1e-11, [ -1.0, 1.0 ], [ 0., 1. ] ),
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ElectronTabulatedAngularDistribution( 1e-6, [ -1.0, 0.0, 1.0 ], [ 0., 0.75, 1. ] ),
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ElectronTabulatedAngularDistribution( 1e-3, [ -1.0, 0.5, 0.7, 1.0 ], [ 0., 0.25, 0.5, 1. ] ),
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ElectronTabulatedAngularDistribution( 1., [ -1.0, 1.0 ], [ 0., 1. ] ) ] )
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verify_chunk( self, chunk )
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if __name__ == '__main__' :
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unittest.main()

‎src/ACEtk/block/ElectronElasticAngularDistributionBlock.hpp‎

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@@ -13,12 +13,11 @@ namespace block {
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/**
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* @class
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* @brief The continuous energy LSIG and SIG block with the cross section data
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* @brief The photoatomic and electron ELASI and ELAS block with the
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* elastic scattering angular distribution data
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*
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* The CrossSectionBlock class contains NXS(4) sets of cross section values,
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* one for each reaction number on the MTR block. The order of these cross
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* section data sets is the same as the order of the reaction numbers in the
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* MTR block.
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* The ElectronElasticAngularDistributionBlock class a list of electron energies
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* for which angular distribution data is given.
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*/
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class ElectronElasticAngularDistributionBlock :
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protected details::BaseElectronBlockWithLocators<

‎src/ACEtk/block/ElectronElasticAngularDistributionBlock/src/ctor.hpp‎

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@@ -6,7 +6,7 @@ ElectronElasticAngularDistributionBlock( ElectronElasticAngularDistributionBlock
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/**
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* @brief Constructor
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*
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* @param[in] xs the cross section data
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* @param[in] distributions the angular distribution data
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*/
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ElectronElasticAngularDistributionBlock( std::vector< ElectronTabulatedAngularDistribution > distributions ) :
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BaseElectronBlockWithLocators( "ELAS", std::move( distributions ) ) {}

‎src/ACEtk/block/ElectronElasticAngularDistributionBlock/test/ElectronElasticAngularDistributionBlock.test.cpp‎

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@@ -102,14 +102,18 @@ void verifyChunk( const ElectronElasticAngularDistributionBlock& chunk ) {
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CHECK( 19 == chunk.angularDistributionLocator(4) );
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auto distribution = chunk.angularDistribution(1);
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CHECK( 1e-11 == distribution.energy() );
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CHECK( 2 == distribution.numberCosines() );
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distribution = chunk.angularDistribution(2);
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CHECK( 1e-6 == distribution.energy() );
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CHECK( 3 == distribution.numberCosines() );
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distribution = chunk.angularDistribution(3);
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CHECK( 1e-3 == distribution.energy() );
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CHECK( 4 == distribution.numberCosines() );
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distribution = chunk.angularDistribution(4);
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CHECK( 1. == distribution.energy() );
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CHECK( 2 == distribution.numberCosines() );
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}

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