mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-27 05:35:49 -04:00
Move remaining writing of summary file to C++
This commit is contained in:
Paul Romano
parent
1690dc0af3
commit
4788bb9f85
9 changed files with 200 additions and 294 deletions
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@ -340,7 +340,6 @@ add_library(libopenmc SHARED
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src/state_point.F90
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src/stl_vector.F90
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src/string.F90
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src/summary.F90
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src/surface_header.F90
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src/timer_header.F90
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src/tracking.F90
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@ -358,6 +358,12 @@ write_attribute(hid_t obj_id, const char* name, const char* buffer)
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write_attr_string(obj_id, name, buffer);
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}
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inline void
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write_attribute(hid_t obj_id, const char* name, const std::string& buffer)
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{
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write_attr_string(obj_id, name, buffer.c_str());
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}
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template<typename T, std::size_t N> inline void
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write_attribute(hid_t obj_id, const char* name, const std::array<T, N>& buffer)
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{
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@ -398,6 +404,29 @@ write_dataset(hid_t obj_id, const char* name, const std::array<T, N>& buffer)
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write_dataset(obj_id, 1, dims, name, H5TypeMap<T>::type_id, buffer.data(), false);
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}
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inline void
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write_dataset(hid_t obj_id, const char* name, const std::vector<std::string>& buffer)
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{
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auto n {buffer.size()};
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hsize_t dims[] {n};
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// Determine length of longest string, including \0
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size_t m = 1;
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for (const auto& s : buffer) {
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m = std::max(m, s.size() + 1);
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}
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// Copy data into contiguous buffer
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char temp[n][m];
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std::fill(temp[0], temp[0] + n*m, '\0');
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for (int i = 0; i < n; ++i) {
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std::copy(buffer[i].begin(), buffer[i].end(), temp[i]);
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}
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// Write 2D data
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write_string(obj_id, 1, dims, m, name, temp[0], false);
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}
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template<typename T> inline void
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write_dataset(hid_t obj_id, const char* name, const std::vector<T>& buffer)
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{
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@ -6,6 +6,7 @@
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#include <unordered_map>
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#include <vector>
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#include <hdf5.h>
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#include "pugixml.hpp"
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#include "xtensor/xtensor.hpp"
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@ -58,6 +59,9 @@ public:
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//! Set total density of the material
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int set_density(double density, std::string units);
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//! Write material data to HDF5
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void to_hdf5(hid_t group) const;
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// Data
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int32_t id_; //!< Unique ID
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std::string name_; //!< Name of material
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17
include/openmc/summary.h
Normal file
17
include/openmc/summary.h
Normal file
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@ -0,0 +1,17 @@
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#ifndef OPENMC_SUMMARY_H
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#define OPENMC_SUMMARY_H
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#include <hdf5.h>
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namespace openmc {
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void write_summary();
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void write_header(hid_t file);
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void write_nuclides(hid_t file);
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void write_geometry(hid_t file);
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void write_materials(hid_t file);
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}
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#endif // OPENMC_SUMMARY_H
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@ -25,6 +25,7 @@
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#include "openmc/settings.h"
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#include "openmc/simulation.h"
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#include "openmc/string_utils.h"
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#include "openmc/summary.h"
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#include "openmc/thermal.h"
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#include "openmc/timer.h"
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@ -37,7 +38,6 @@ extern "C" void read_geometry_xml();
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extern "C" void read_materials_xml();
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extern "C" void read_plots_xml();
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extern "C" void read_tallies_xml();
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extern "C" void write_summary();
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// Paths to various files
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extern "C" {
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@ -28,7 +28,6 @@ module input_xml
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use string, only: to_lower, to_str, str_to_int, str_to_real, &
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starts_with, ends_with, split_string, &
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zero_padded, to_c_string
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use summary, only: write_summary
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use tally
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use tally_header, only: openmc_extend_tallies
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use tally_derivative_header
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@ -14,6 +14,7 @@
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#include "openmc/cross_sections.h"
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#include "openmc/container_util.h"
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#include "openmc/error.h"
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#include "openmc/hdf5_interface.h"
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#include "openmc/math_functions.h"
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#include "openmc/message_passing.h"
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#include "openmc/mgxs_interface.h"
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@ -804,6 +805,61 @@ int Material::set_density(double density, std::string units)
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return 0;
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}
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void Material::to_hdf5(hid_t group) const
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{
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hid_t material_group = create_group(group, "material " + std::to_string(id_));
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write_attribute(material_group, "depletable", static_cast<int>(depletable_));
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if (volume_ > 0.0) {
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write_attribute(material_group, "volume", volume_);
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}
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write_dataset(material_group, "name", name_);
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write_dataset(material_group, "atom_density", density_);
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// Copy nuclide/macro name for each nuclide to vector
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std::vector<std::string> nuc_names;
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std::vector<std::string> macro_names;
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std::vector<double> nuc_densities;
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if (settings::run_CE) {
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for (int i = 0; i < nuclide_.size(); ++i) {
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int i_nuc = nuclide_[i];
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nuc_names.push_back(data::nuclides[i_nuc]->name_);
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nuc_densities.push_back(atom_density_(i));
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}
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} else {
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for (int i = 0; i < nuclide_.size(); ++i) {
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int i_nuc = nuclide_[i_nuc];
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if (data::nuclides_MG[i_nuc].awr != MACROSCOPIC_AWR) {
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nuc_names.push_back(data::nuclides_MG[i_nuc].name);
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nuc_densities.push_back(atom_density_(i));
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} else {
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macro_names.push_back(data::nuclides_MG[i_nuc].name);
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}
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}
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}
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// Write vector to 'nuclides'
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if (!nuc_names.empty()) {
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write_dataset(material_group, "nuclides", nuc_names);
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write_dataset(material_group, "nuclide_densities", nuc_densities);
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}
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// Write vector to 'macroscopics'
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if (!macro_names.empty()) {
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write_dataset(material_group, "macroscopics", macro_names);
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}
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if (!thermal_tables_.empty()) {
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std::vector<std::string> sab_names;
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for (const auto& table : thermal_tables_) {
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sab_names.push_back(data::thermal_scatt[table.index_table]->name_);
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}
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write_dataset(material_group, "sab_names", sab_names);
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}
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close_group(material_group);
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}
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//==============================================================================
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// Non-method functions
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//==============================================================================
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288
src/summary.F90
288
src/summary.F90
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@ -1,288 +0,0 @@
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module summary
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use constants
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use endf, only: reaction_name
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use error, only: write_message
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use geometry_header
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use hdf5_interface
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use material_header, only: Material, n_materials, openmc_material_get_volume
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use message_passing
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use mgxs_interface
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use nuclide_header
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use output, only: time_stamp
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use settings, only: run_CE
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use surface_header
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use string, only: to_str
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use tally_header, only: TallyObject
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implicit none
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private
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public :: write_summary
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contains
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!===============================================================================
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! WRITE_SUMMARY
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!===============================================================================
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subroutine write_summary() bind(C)
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interface
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subroutine write_geometry(file_id) bind(C)
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import HID_T
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integer(HID_T), intent(in), value :: file_id
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end subroutine write_geometry
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end interface
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integer(HID_T) :: file_id
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! Display output message
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call write_message("Writing summary.h5 file...", 5)
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! Create a new file using default properties.
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file_id = file_open("summary.h5", 'w')
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call write_header(file_id)
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call write_nuclides(file_id)
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call write_geometry(file_id)
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call write_materials(file_id)
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! Terminate access to the file.
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call file_close(file_id)
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end subroutine write_summary
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!===============================================================================
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! WRITE_HEADER
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!===============================================================================
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subroutine write_header(file_id)
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integer(HID_T), intent(in) :: file_id
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! Write filetype and version info
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call write_attribute(file_id, "filetype", "summary")
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call write_attribute(file_id, "version", VERSION_SUMMARY)
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call write_attribute(file_id, "openmc_version", VERSION)
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#ifdef GIT_SHA1
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call write_attribute(file_id, "git_sha1", GIT_SHA1)
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#endif
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! Write current date and time
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call write_attribute(file_id, "date_and_time", time_stamp())
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end subroutine write_header
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!===============================================================================
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! WRITE_NUCLIDES
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!===============================================================================
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subroutine write_nuclides(file_id)
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integer(HID_T), intent(in) :: file_id
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integer(HID_T) :: nuclide_group
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integer(HID_T) :: macro_group
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integer :: i
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character(kind=C_CHAR, len=20), allocatable :: nuc_names(:)
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character(kind=C_CHAR, len=20), allocatable :: macro_names(:)
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real(C_DOUBLE), allocatable :: awrs(:)
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integer :: num_nuclides
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integer :: num_macros
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integer :: j
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integer :: k
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! Find how many of these nuclides are macroscopic objects
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if (run_CE) then
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! Then none are macroscopic
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num_nuclides = n_nuclides
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num_macros = 0
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else
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num_nuclides = 0
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num_macros = 0
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do i = 1, n_nuclides
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if (get_awr_c(i) /= MACROSCOPIC_AWR) then
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num_nuclides = num_nuclides + 1
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else
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num_macros = num_macros + 1
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end if
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end do
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end if
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! Build array of nuclide names and awrs while only sorting nuclides from
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! macroscopics
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if (num_nuclides > 0) then
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allocate(nuc_names(num_nuclides))
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allocate(awrs(num_nuclides))
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end if
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if (num_macros > 0) then
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allocate(macro_names(num_macros))
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end if
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j = 1
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k = 1
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do i = 1, n_nuclides
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if (run_CE) then
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nuc_names(i) = nuclides(i) % name
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awrs(i) = nuclides(i) % awr
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else
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if (get_awr_c(i) /= MACROSCOPIC_AWR) then
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call get_name_c(i, len(nuc_names(j)), nuc_names(j))
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nuc_names(j) = trim(nuc_names(j))
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awrs(j) = get_awr_c(i)
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j = j + 1
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else
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call get_name_c(i, len(macro_names(k)), macro_names(k))
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macro_names(k) = trim(macro_names(k))
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k = k + 1
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end if
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end if
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end do
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nuclide_group = create_group(file_id, "nuclides")
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call write_attribute(nuclide_group, "n_nuclides", num_nuclides)
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macro_group = create_group(file_id, "macroscopics")
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call write_attribute(macro_group, "n_macroscopics", num_macros)
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! Write nuclide names and awrs
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if (num_nuclides > 0) then
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! Write useful data from nuclide objects
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call write_dataset(nuclide_group, "names", nuc_names)
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call write_dataset(nuclide_group, "awrs", awrs)
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end if
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if (num_macros > 0) then
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! Write useful data from macroscopic objects
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call write_dataset(macro_group, "names", macro_names)
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end if
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call close_group(nuclide_group)
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call close_group(macro_group)
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if (allocated(nuc_names)) deallocate(nuc_names, awrs)
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if (allocated(macro_names)) deallocate(macro_names)
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end subroutine write_nuclides
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!===============================================================================
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! WRITE_MATERIALS
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!===============================================================================
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subroutine write_materials(file_id)
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integer(HID_T), intent(in) :: file_id
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integer :: i
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integer :: j
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integer :: k
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integer :: n
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integer :: err
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character(kind=C_CHAR, len=20), allocatable :: nuc_names(:)
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character(kind=C_CHAR, len=20), allocatable :: macro_names(:)
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real(8) :: volume
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real(8), allocatable :: nuc_densities(:)
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integer :: num_nuclides
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integer :: num_macros
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integer(HID_T) :: materials_group
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integer(HID_T) :: material_group
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type(Material), pointer :: m
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materials_group = create_group(file_id, "materials")
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! write number of materials
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call write_dataset(file_id, "n_materials", n_materials)
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! Write information on each material
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do i = 1, n_materials
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m => materials(i)
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material_group = create_group(materials_group, "material " // &
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trim(to_str(m%id())))
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if (m % depletable) then
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call write_attribute(material_group, "depletable", 1)
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else
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call write_attribute(material_group, "depletable", 0)
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end if
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err = openmc_material_get_volume(i, volume)
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if (err == 0 .and. volume > ZERO) then
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call write_attribute(material_group, "volume", volume)
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end if
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! Write name for this material
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call write_dataset(material_group, "name", m % name)
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! Write atom density with units
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call write_dataset(material_group, "atom_density", m % density)
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if (run_CE) then
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num_nuclides = m % n_nuclides
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num_macros = 0
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else
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! Find the number of macroscopic and nuclide data in this material
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num_nuclides = 0
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num_macros = 0
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do j = 1, m % n_nuclides
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if (get_awr_c(m % nuclide(j)) /= MACROSCOPIC_AWR) then
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num_nuclides = num_nuclides + 1
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else
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num_macros = num_macros + 1
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end if
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end do
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end if
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! Copy ZAID or macro name for each nuclide to temporary array
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if (num_nuclides > 0) then
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allocate(nuc_names(num_nuclides))
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allocate(nuc_densities(num_nuclides))
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end if
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if (run_CE) then
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do j = 1, m % n_nuclides
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nuc_names(j) = nuclides(m%nuclide(j))%name
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nuc_densities(j) = m % atom_density(j)
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end do
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else
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if (num_macros > 0) then
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allocate(macro_names(num_macros))
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end if
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k = 1
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n = 1
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do j = 1, m % n_nuclides
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if (get_awr_c(m % nuclide(j)) /= MACROSCOPIC_AWR) then
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call get_name_c(m % nuclide(j), len(nuc_names(k)), nuc_names(k))
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nuc_names(k) = trim(nuc_names(k))
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nuc_densities(k) = m % atom_density(j)
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k = k + 1
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else
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call get_name_c(m % nuclide(j), len(macro_names(n)), macro_names(n))
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macro_names(n) = trim(macro_names(n))
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n = n + 1
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end if
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end do
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end if
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! Write temporary array to 'nuclides'
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if (num_nuclides > 0) then
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call write_dataset(material_group, "nuclides", nuc_names)
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! Deallocate temporary array
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deallocate(nuc_names)
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! Write nuclide atom densities
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call write_dataset(material_group, "nuclide_densities", nuc_densities)
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deallocate(nuc_densities)
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end if
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! Write temporary array to 'macroscopics'
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if (num_macros > 0) then
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call write_dataset(material_group, "macroscopics", macro_names)
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! Deallocate temporary array
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deallocate(macro_names)
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end if
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||||
|
||||
if (m%n_sab > 0) then
|
||||
call write_dataset(material_group, "sab_names", m%sab_names)
|
||||
end if
|
||||
|
||||
call close_group(material_group)
|
||||
end do
|
||||
|
||||
call close_group(materials_group)
|
||||
|
||||
end subroutine write_materials
|
||||
|
||||
end module summary
|
||||
|
|
@ -1,15 +1,93 @@
|
|||
#include "openmc/summary.h"
|
||||
|
||||
#include "openmc/cell.h"
|
||||
#include "openmc/hdf5_interface.h"
|
||||
#include "openmc/lattice.h"
|
||||
#include "openmc/material.h"
|
||||
#include "openmc/mgxs_interface.h"
|
||||
#include "openmc/nuclide.h"
|
||||
#include "openmc/output.h"
|
||||
#include "openmc/surface.h"
|
||||
#include "openmc/settings.h"
|
||||
|
||||
namespace openmc {
|
||||
|
||||
extern "C" void
|
||||
write_geometry(hid_t file_id) {
|
||||
void write_summary()
|
||||
{
|
||||
// Display output message
|
||||
write_message("Writing summary.h5 file...", 5);
|
||||
|
||||
auto geom_group = create_group(file_id, "geometry");
|
||||
// Create a new file using default properties.
|
||||
hid_t file = file_open("summary.h5", 'w');
|
||||
|
||||
write_header(file);
|
||||
write_nuclides(file);
|
||||
write_geometry(file);
|
||||
write_materials(file);
|
||||
|
||||
// Terminate access to the file.
|
||||
file_close(file);
|
||||
}
|
||||
|
||||
void write_header(hid_t file)
|
||||
{
|
||||
// Write filetype and version info
|
||||
write_attribute(file, "filetype", "summary");
|
||||
write_attribute(file, "version", VERSION_SUMMARY);
|
||||
write_attribute(file, "openmc_version", VERSION);
|
||||
#ifdef GIT_SHA1
|
||||
write_attribute(file, "git_sha1", GIT_SHA1);
|
||||
#endif
|
||||
|
||||
// Write current date and time
|
||||
write_attribute(file, "date_and_time", time_stamp());
|
||||
}
|
||||
|
||||
void write_nuclides(hid_t file)
|
||||
{
|
||||
// Build vectors of nuclide names and awrs while only sorting nuclides from
|
||||
// macroscopics
|
||||
std::vector<std::string> nuc_names;
|
||||
std::vector<std::string> macro_names;
|
||||
std::vector<double> awrs;
|
||||
|
||||
for (int i = 0; i < data::nuclides.size(); ++i) {
|
||||
if (settings::run_CE) {
|
||||
const auto& nuc {data::nuclides[i]};
|
||||
nuc_names.push_back(nuc->name_);
|
||||
awrs.push_back(nuc->awr_);
|
||||
} else {
|
||||
const auto& nuc {data::nuclides_MG[i]};
|
||||
if (nuc.awr != MACROSCOPIC_AWR) {
|
||||
nuc_names.push_back(nuc.name);
|
||||
awrs.push_back(nuc.awr);
|
||||
} else {
|
||||
macro_names.push_back(nuc.name);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
hid_t nuclide_group = create_group(file, "nuclides");
|
||||
write_attribute(nuclide_group, "n_nuclides", nuc_names.size());
|
||||
hid_t macro_group = create_group(file, "macroscopics");
|
||||
write_attribute(macro_group, "n_macroscopics", macro_names.size());
|
||||
// Write nuclide names and awrs
|
||||
if (!nuc_names.empty()) {
|
||||
// Write useful data from nuclide objects
|
||||
write_dataset(nuclide_group, "names", nuc_names);
|
||||
write_dataset(nuclide_group, "awrs", awrs);
|
||||
}
|
||||
if (!macro_names.empty()) {
|
||||
// Write useful data from macroscopic objects
|
||||
write_dataset(macro_group, "names", macro_names);
|
||||
}
|
||||
close_group(nuclide_group);
|
||||
close_group(macro_group);
|
||||
}
|
||||
|
||||
void write_geometry(hid_t file)
|
||||
{
|
||||
auto geom_group = create_group(file, "geometry");
|
||||
|
||||
#ifdef DAGMC
|
||||
if (settings::dagmc) {
|
||||
|
|
@ -42,4 +120,16 @@ write_geometry(hid_t file_id) {
|
|||
close_group(geom_group);
|
||||
}
|
||||
|
||||
void write_materials(hid_t file)
|
||||
{
|
||||
// write number of materials
|
||||
write_dataset(file, "n_materials", model::materials.size());
|
||||
|
||||
hid_t materials_group = create_group(file, "materials");
|
||||
for (const auto& mat : model::materials) {
|
||||
mat->to_hdf5(materials_group);
|
||||
}
|
||||
close_group(materials_group);
|
||||
}
|
||||
|
||||
} // namespace openmc
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue