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Change data::elements to a vector of unique_ptr

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This commit is contained in:
Paul Romano 2020-06-17 22:46:51 -05:00
parent 5ff8dca372
commit ea9ff22805
6 changed files with 12 additions and 11 deletions
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3
include/openmc/photon.h
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@ -8,6 +8,7 @@
#include <hdf5.h>
#include "xtensor/xtensor.hpp"
#include <memory> // for unique_ptr
#include <string>
#include <unordered_map>
#include <utility> // for pair
@ -119,7 +120,7 @@ namespace data {
extern xt::xtensor<double, 1> compton_profile_pz; //! Compton profile momentum grid
//! Photon interaction data for each element
extern std::vector<PhotonInteraction> elements;
extern std::vector<std::unique_ptr<PhotonInteraction>> elements;
extern std::unordered_map<std::string, int> element_map;
} // namespace data

6
src/material.cpp
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@ -475,7 +475,7 @@ void Material::collision_stopping_power(double* s_col, bool positron)
std::vector<double> e_b_sq;
for (int i = 0; i < element_.size(); ++i) {
const auto& elm = data::elements[element_[i]];
const auto& elm = *data::elements[element_[i]];
double awr = data::nuclides[nuclide_[i]]->awr_;
// Get atomic density of nuclide given atom/weight percent
@ -589,7 +589,7 @@ void Material::init_bremsstrahlung()
// Bragg's additivity rule.
for (int i = 0; i < n; ++i) {
// Get pointer to current element
const auto& elm = data::elements[element_[i]];
const auto& elm = *data::elements[element_[i]];
double awr = data::nuclides[nuclide_[i]]->awr_;
// Get atomic density and mass density of nuclide given atom/weight percent
@ -838,7 +838,7 @@ void Material::calculate_photon_xs(Particle& p) const
// Calculate microscopic cross section for this nuclide
const auto& micro {p.photon_xs_[i_element]};
if (p.E_ != micro.last_E) {
data::elements[i_element].calculate_xs(p);
data::elements[i_element]->calculate_xs(p);
}
// ========================================================================

2
src/nuclide.cpp
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@ -982,7 +982,7 @@ extern "C" int openmc_load_nuclide(const char* name, const double* temps, int n)
// Read element data from HDF5
hid_t group = open_group(file_id, element.c_str());
data::elements.emplace_back(group);
data::elements.push_back(std::make_unique<PhotonInteraction>(group));
close_group(group);
file_close(file_id);

2
src/photon.cpp
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@ -27,7 +27,7 @@ namespace data {
xt::xtensor<double, 1> compton_profile_pz;
std::vector<PhotonInteraction> elements;
std::vector<std::unique_ptr<PhotonInteraction>> elements;
std::unordered_map<std::string, int> element_map;
} // namespace data

2
src/physics.cpp
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@ -258,7 +258,7 @@ void sample_photon_reaction(Particle& p)
// Sample element within material
int i_element = sample_element(p);
const auto& micro {p.photon_xs_[i_element]};
const auto& element {data::elements[i_element]};
const auto& element {*data::elements[i_element]};
// Calculate photon energy over electron rest mass equivalent
double alpha = p.E_/MASS_ELECTRON_EV;

8
src/simulation.cpp
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@ -578,13 +578,13 @@ void initialize_data()
if (settings::photon_transport) {
for (const auto& elem : data::elements) {
if (elem.energy_.size() >= 1) {
if (elem->energy_.size() >= 1) {
int photon = static_cast<int>(Particle::Type::photon);
int n = elem.energy_.size();
int n = elem->energy_.size();
data::energy_min[photon] = std::max(data::energy_min[photon],
std::exp(elem.energy_(1)));
std::exp(elem->energy_(1)));
data::energy_max[photon] = std::min(data::energy_max[photon],
std::exp(elem.energy_(n - 1)));
std::exp(elem->energy_(n - 1)));
}
}