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317 lines (266 loc) · 7.28 KB
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// system includes
#include <pybind11/pybind11.h>
#include <pybind11/stl.h>
// local includes
#include "ACEtk/PhotoatomicTable.hpp"
#include "ACEtk/fromFile.hpp"
#include "definitions.hpp"
#include "views.hpp"
// namespace aliases
namespace python = pybind11;
void wrapPhotoatomicTable( python::module& module, python::module& ) {
// type aliases
using HeaderVariant = njoy::ACEtk::Table::HeaderVariant;
using Table = njoy::ACEtk::PhotoatomicTable;
using ESZG = njoy::ACEtk::block::ESZG;
using JINC = njoy::ACEtk::block::JINC;
using JCOH = njoy::ACEtk::block::JCOH;
using JFLO = njoy::ACEtk::block::JFLO;
using LHNM = njoy::ACEtk::block::LHNM;
using EPS = njoy::ACEtk::block::EPS;
using SWD = njoy::ACEtk::block::SWD;
// wrap views created by this table
// create the table
python::class_< Table > table(
module,
"PhotoatomicTable",
"A thermal scattering ACE table\n\n"
"The PhotoatomicTable class represents the ACE table for photoatomic data."
);
// wrap the table
table
.def(
python::init< unsigned int, HeaderVariant,
std::vector< unsigned int >, std::vector< double >,
ESZG, JINC, JCOH, LHNM, std::optional< JFLO >,
std::optional< EPS >, std::optional< SWD > >(),
python::arg( "z" ), python::arg( "header" ),
python::arg( "za" ), python::arg( "awr" ),
python::arg( "eszg" ), python::arg( "jinc" ),
python::arg( "jcoh" ), python::arg( "lhnm" ),
python::arg( "jflo" ) = std::nullopt,
python::arg( "eps" ) = std::nullopt,
python::arg( "swd" ) = std::nullopt,
"Initialise the table\n\n"
"Arguments:\n"
" self the table\n"
" header the header for the table\n"
" za the list of ZA values\n"
" awr the list of atomic mass values\n"
" eszg the principal cross section block\n"
" jinc the incoherent scattering function block\n"
" jcoh the coherent form factor block\n"
" lhnm the heating numbers block\n"
" jflo the fluorescence data block\n"
" eps the electron shell block\n"
" swd the compton profile block"
)
.def_property_readonly(
"zaid",
&Table::ZAID,
"The full ZAID or SZAID of the table"
)
.def_property_readonly(
"AWR",
&Table::AWR,
"The atomic weight ratio (with respect to the neutron mass)"
)
.def_property_readonly(
"atomic_weight_ratio",
&Table::atomicWeightRatio,
"The atomic weight ratio (with respect to the neutron mass)"
)
.def_property_readonly(
"TEMP",
&Table::TEMP,
"The temperature of the table"
)
.def_property_readonly(
"temperature",
&Table::temperature,
"The temperature of the table"
)
.def_property_readonly(
"date",
&Table::date,
"The date"
)
.def_property_readonly(
"length",
&Table::length,
"The total length of the XSS array"
)
.def_property_readonly(
"Z",
&Table::Z,
"The atom number of the element"
)
.def_property_readonly(
"atom_number",
&Table::atomNumber,
"The atom number of the element"
)
.def_property_readonly(
"NES",
&Table::NES,
"The number of energy points"
)
.def_property_readonly(
"number_energy_points",
&Table::numberEnergyPoints,
"The number of energy points"
)
.def_property_readonly(
"Z",
&Table::Z,
"The atom number of the element"
)
.def_property_readonly(
"atom_number",
&Table::atomNumber,
"The atom number of the element"
)
.def_property_readonly(
"NFLO",
&Table::NFLO,
"The number of fluorescence edges"
)
.def_property_readonly(
"number_fluorescence_edges",
&Table::numberFluorescenceEdges,
"The number of fluorescence edges"
)
.def_property_readonly(
"NSH",
&Table::NSH,
"The number of electron shells (for Compton Doppler broadening)"
)
.def_property_readonly(
"number_electron_shells",
&Table::numberElectronShells,
"The number of electron shells (for Compton Doppler broadening)"
)
.def_property_readonly(
"NEPR",
&Table::NEPR,
"The EPR data format flag (0 for old format and 1 for EPR data)"
)
.def_property_readonly(
"electron_photon_relaxation_format",
&Table::electronPhotonRelaxationFormat,
"Return the EPR data format flag (0 for old format, 1 for EPR data\n"
"from 2012 and 3 for EPR data from 2014)"
)
.def_property_readonly(
"NSSH",
&Table::NSSH,
"The number of subshells for photoelectric and electron impact ionization"
)
.def_property_readonly(
"number_electron_subshells",
&Table::numberElectronSubshells,
"The number of subshells for photoelectric and electron impact ionization"
)
.def_property_readonly(
"NE",
&Table::NE,
"The number of electron energy points"
)
.def_property_readonly(
"number_electron_energy_points",
&Table::numberElectronEnergyPoints,
"The number of electron energy points"
)
.def_property_readonly(
"ESZ",
&Table::ESZG,
"The principal cross section block"
)
.def_property_readonly(
"principal_cross_section_block",
&Table::principalCrossSectionBlock,
"The principal cross section block"
)
.def_property_readonly(
"JINC",
&Table::JINC,
"The incoherent scattering function block"
)
.def_property_readonly(
"incoherent_scattering_function_block",
&Table::incoherentScatteringFunctionBlock,
"The incoherent scattering function block"
)
.def_property_readonly(
"JCOH",
&Table::JCOH,
"The coherent form factor block"
)
.def_property_readonly(
"coherent_form_factor_block",
&Table::coherentFormFactorBlock,
"The coherent form factor block"
)
.def_property_readonly(
"JFLO",
&Table::JFLO,
"The fluorescence data block"
)
.def_property_readonly(
"fluorescence_data_block",
&Table::fluorescenceDataBlock,
"The fluorescence data block"
)
.def_property_readonly(
"EPS",
&Table::EPS,
"The electron shell block"
)
.def_property_readonly(
"heating_numbers_block",
&Table::electronShellBlock,
"The electron shell block"
)
.def_property_readonly(
"LHNM",
&Table::LHNM,
"The heating numbers block"
)
.def_property_readonly(
"heating_numbers_block",
&Table::heatingNumbersBlock,
"The heating numbers block"
)
.def_property_readonly(
"SUBSH",
&Table::SUBSH,
"The electron subshell data block for eprdata (NEPR > 0)"
)
.def_property_readonly(
"electron_subshell_block",
&Table::electronSubshellBlock,
"The electron subshell data block for eprdata (NEPR > 0)"
)
.def_property_readonly(
"SPHEL",
&Table::SPHEL,
"The photolectric cross section block for eprdata (NEPR > 0)"
)
.def_property_readonly(
"photoelectric_cross_section_block",
&Table::photoelectricCrossSectionBlock,
"The photolectric cross section block for eprdata (NEPR > 0)"
)
.def_property_readonly(
"ESZE",
&Table::ESZE,
"The electron cross section block for eprdata (NEPR > 0)"
)
.def_property_readonly(
"electron_cross_section_block",
&Table::electronCrossSectionBlock,
"The electron cross section block for eprdata (NEPR > 0)"
);
// add standard block definitions
addStandardTableDefinitions< Table >( table );
}