mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-28 14:15:42 -04:00
Move read_multipole_data to C++
This commit is contained in:
Paul Romano
parent
eb576a6fd2
commit
1690dc0af3
7 changed files with 76 additions and 107 deletions
|
|
@ -324,7 +324,6 @@ add_library(libopenmc SHARED
|
|||
src/mesh_header.F90
|
||||
src/message_passing.F90
|
||||
src/mgxs_interface.F90
|
||||
src/multipole_header.F90
|
||||
src/nuclide_header.F90
|
||||
src/output.F90
|
||||
src/particle_header.F90
|
||||
|
|
|
|||
|
|
@ -4,6 +4,7 @@
|
|||
#include "hdf5.h"
|
||||
#include "xtensor/xtensor.hpp"
|
||||
|
||||
#include <array>
|
||||
#include <complex>
|
||||
#include <string>
|
||||
#include <tuple>
|
||||
|
|
@ -25,6 +26,9 @@ constexpr int FIT_S {0}; // Scattering
|
|||
constexpr int FIT_A {1}; // Absorption
|
||||
constexpr int FIT_F {2}; // Fission
|
||||
|
||||
// Multipole HDF5 file version
|
||||
constexpr std::array<int, 2> WMP_VERSION {1, 1};
|
||||
|
||||
//========================================================================
|
||||
// Windowed multipole data
|
||||
//========================================================================
|
||||
|
|
@ -68,6 +72,21 @@ public:
|
|||
xt::xtensor<bool, 1> broaden_poly_; //!< Whether to broaden curvefit
|
||||
};
|
||||
|
||||
//========================================================================
|
||||
// Non-member functions
|
||||
//========================================================================
|
||||
|
||||
//! Check to make sure WMP library data version matches
|
||||
//!
|
||||
//! \param[in] file HDF5 file object
|
||||
void check_wmp_version(hid_t file);
|
||||
|
||||
//! \brief Checks for the existence of a multipole library in the directory and
|
||||
//! loads it
|
||||
//!
|
||||
//! \param[in] i_nuclide Index in global nuclides array
|
||||
void read_multipole_data(int i_nuclide);
|
||||
|
||||
} // namespace openmc
|
||||
|
||||
#endif // OPENMC_WMP_H
|
||||
|
|
|
|||
|
|
@ -14,6 +14,7 @@
|
|||
#include "openmc/string_utils.h"
|
||||
#include "openmc/thermal.h"
|
||||
#include "openmc/xml_interface.h"
|
||||
#include "openmc/wmp.h"
|
||||
|
||||
#include "pugixml.hpp"
|
||||
|
||||
|
|
@ -160,7 +161,6 @@ void read_cross_sections_xml()
|
|||
}
|
||||
}
|
||||
|
||||
extern "C" void read_multipole_data(int i_nuclide);
|
||||
extern "C" void nuclide_from_hdf5(hid_t group, const Nuclide* ptr,
|
||||
const double* temps, int n, int n_nuclide);
|
||||
|
||||
|
|
|
|||
|
|
@ -1858,67 +1858,4 @@ contains
|
|||
|
||||
end subroutine normalize_ao
|
||||
|
||||
!===============================================================================
|
||||
! READ_MULTIPOLE_DATA checks for the existence of a multipole library in the
|
||||
! directory and loads it using multipole_read
|
||||
!===============================================================================
|
||||
|
||||
subroutine read_multipole_data(i_table) bind(C)
|
||||
integer(C_INT), value :: i_table ! index in nuclides/sab_tables
|
||||
|
||||
logical :: file_exists ! Does multipole library exist?
|
||||
character(7) :: readable ! Is multipole library readable?
|
||||
character(MAX_FILE_LEN) :: filename ! Path to multipole xs library
|
||||
integer(HID_T) :: file_id
|
||||
integer(HID_T) :: group_id
|
||||
|
||||
interface
|
||||
subroutine nuclide_load_multipole(ptr, group) bind(C)
|
||||
import C_PTR, HID_T
|
||||
type(C_PTR), value :: ptr
|
||||
integer(HID_T), value :: group
|
||||
end subroutine
|
||||
end interface
|
||||
|
||||
associate (nuc => nuclides(i_table))
|
||||
|
||||
! Look for WMP data in cross_sections.xml
|
||||
if (library_present(LIBRARY_WMP, nuc % name)) then
|
||||
filename = library_path(LIBRARY_WMP, nuc % name)
|
||||
else
|
||||
nuc % mp_present = .false.
|
||||
return
|
||||
end if
|
||||
|
||||
! Check if Multipole library exists and is readable
|
||||
inquire(FILE=filename, EXIST=file_exists, READ=readable)
|
||||
if (.not. file_exists) then
|
||||
nuc % mp_present = .false.
|
||||
return
|
||||
elseif (readable(1:3) == 'NO') then
|
||||
call fatal_error("Multipole library '" // trim(filename) // "' is not &
|
||||
&readable! Change file permissions with chmod command.")
|
||||
end if
|
||||
|
||||
! Display message
|
||||
call write_message("Reading " // trim(nuc % name) // " WMP data from " &
|
||||
// filename, 6)
|
||||
|
||||
! Open file and make sure version is sufficient
|
||||
file_id = file_open(filename, 'r')
|
||||
call check_wmp_version(file_id)
|
||||
|
||||
! Read nuclide data from HDF5
|
||||
group_id = open_group(file_id, nuc % name)
|
||||
nuc % mp_present = .true.
|
||||
call nuclide_load_multipole(nuc % ptr, group_id)
|
||||
call close_group(group_id)
|
||||
|
||||
! Close the file
|
||||
call file_close(file_id)
|
||||
|
||||
end associate
|
||||
|
||||
end subroutine read_multipole_data
|
||||
|
||||
end module input_xml
|
||||
|
|
|
|||
|
|
@ -1,37 +0,0 @@
|
|||
module multipole_header
|
||||
|
||||
use constants
|
||||
use hdf5_interface
|
||||
use error, only: fatal_error
|
||||
use string, only: to_str
|
||||
|
||||
implicit none
|
||||
|
||||
contains
|
||||
|
||||
!===============================================================================
|
||||
! CHECK_WMP_VERSION checks for the right version of WMP data within HDF5
|
||||
! files
|
||||
!===============================================================================
|
||||
|
||||
subroutine check_wmp_version(file_id)
|
||||
integer(HID_T), intent(in) :: file_id
|
||||
|
||||
integer, allocatable :: version(:)
|
||||
|
||||
if (attribute_exists(file_id, 'version')) then
|
||||
call read_attribute(version, file_id, 'version')
|
||||
if (version(1) /= WMP_VERSION(1)) then
|
||||
call fatal_error("WMP data format uses version " // trim(to_str(&
|
||||
version(1))) // "." // trim(to_str(version(2))) // " whereas &
|
||||
&your installation of OpenMC expects version " // trim(to_str(&
|
||||
WMP_VERSION(1))) // ".x data.")
|
||||
end if
|
||||
else
|
||||
call fatal_error("WMP data does not indicate a version. Your &
|
||||
&installation of OpenMC expects version " // trim(to_str(&
|
||||
WMP_VERSION(1))) // ".x data.")
|
||||
end if
|
||||
end subroutine check_wmp_version
|
||||
|
||||
end module multipole_header
|
||||
|
|
@ -978,11 +978,6 @@ extern "C" double nuclide_fission_q_recov(Nuclide* nuc, double E)
|
|||
return nuc->fission_q_recov_ ? (*nuc->fission_q_recov_)(E) : 0.0;
|
||||
}
|
||||
|
||||
extern "C" void nuclide_load_multipole(Nuclide* nuc, hid_t group)
|
||||
{
|
||||
nuc->multipole_ = std::make_unique<WindowedMultipole>(group);
|
||||
}
|
||||
|
||||
extern "C" void multipole_deriv_eval(Nuclide* nuc, double E, double sqrtkT,
|
||||
double* sig_s, double* sig_a, double* sig_f)
|
||||
{
|
||||
|
|
|
|||
56
src/wmp.cpp
56
src/wmp.cpp
|
|
@ -1,13 +1,20 @@
|
|||
#include "openmc/wmp.h"
|
||||
|
||||
#include "openmc/constants.h"
|
||||
#include "openmc/cross_sections.h"
|
||||
#include "openmc/hdf5_interface.h"
|
||||
#include "openmc/math_functions.h"
|
||||
#include "openmc/nuclide.h"
|
||||
|
||||
#include <cmath>
|
||||
#include <sstream>
|
||||
|
||||
namespace openmc {
|
||||
|
||||
//========================================================================
|
||||
// WindowedeMultipole implementation
|
||||
//========================================================================
|
||||
|
||||
WindowedMultipole::WindowedMultipole(hid_t group)
|
||||
{
|
||||
// Get name of nuclide from group, removing leading '/'
|
||||
|
|
@ -184,4 +191,53 @@ WindowedMultipole::evaluate_deriv(double E, double sqrtkT)
|
|||
return std::make_tuple(sig_s, sig_a, sig_f);
|
||||
}
|
||||
|
||||
//========================================================================
|
||||
// Non-member functions
|
||||
//========================================================================
|
||||
|
||||
void check_wmp_version(hid_t file)
|
||||
{
|
||||
if (attribute_exists(file, "version")) {
|
||||
std::array<int, 2> version;
|
||||
read_attribute(file, "version", version);
|
||||
if (version[0] != WMP_VERSION[0]) {
|
||||
std::stringstream msg;
|
||||
msg << "WMP data format uses version " << version[0] << "." <<
|
||||
version[1] << " whereas your installation of OpenMC expects version "
|
||||
<< WMP_VERSION[0] << ".x data.";
|
||||
fatal_error(msg);
|
||||
}
|
||||
} else {
|
||||
fatal_error("WMP data does not indicate a version. Your installation of "
|
||||
"OpenMC expects version " + std::to_string(WMP_VERSION[0]) + ".x data.");
|
||||
}
|
||||
}
|
||||
|
||||
void read_multipole_data(int i_nuclide)
|
||||
{
|
||||
// Look for WMP data in cross_sections.xml
|
||||
const auto& nuc {data::nuclides[i_nuclide]};
|
||||
auto it = data::library_map.find({Library::Type::wmp, nuc->name_});
|
||||
|
||||
// If no WMP library for this nuclide, just return
|
||||
if (it == data::library_map.end()) return;
|
||||
|
||||
// Check if WMP library exists
|
||||
int idx = it->second;
|
||||
std::string& filename = data::libraries[idx].path_;
|
||||
|
||||
// Display message
|
||||
write_message("Reading " + nuc->name_ + " WMP data from " + filename, 6);
|
||||
|
||||
// Open file and make sure version is sufficient
|
||||
hid_t file = file_open(filename, 'r');
|
||||
check_wmp_version(file);
|
||||
|
||||
// Read nuclide data from HDF5
|
||||
hid_t group = open_group(file, nuc->name_.c_str());
|
||||
nuc->multipole_ = std::make_unique<WindowedMultipole>(group);
|
||||
close_group(group);
|
||||
file_close(file);
|
||||
}
|
||||
|
||||
} // namespace openmc
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue