From ea9ff2280570f527d8c71ac8d456be7d07c74080 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 17 Jun 2020 22:46:51 -0500
Subject: [PATCH] Change data::elements to a vector of unique_ptr

---
 include/openmc/photon.h | 3 ++-
 src/material.cpp        | 6 +++---
 src/nuclide.cpp         | 2 +-
 src/photon.cpp          | 2 +-
 src/physics.cpp         | 2 +-
 src/simulation.cpp      | 8 ++++----
 6 files changed, 12 insertions(+), 11 deletions(-)

diff --git a/include/openmc/photon.h b/include/openmc/photon.h
index e6e39893f..0b3688bba 100644
--- a/include/openmc/photon.h
+++ b/include/openmc/photon.h
@@ -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
diff --git a/src/material.cpp b/src/material.cpp
index 09a5493ed..ea5571df8 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -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);
     }
 
     // ========================================================================
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 604cba0b5..4e5d41b4b 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -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);
diff --git a/src/photon.cpp b/src/photon.cpp
index 2be3f0e7d..fa142609a 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -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
diff --git a/src/physics.cpp b/src/physics.cpp
index b307d9487..1000c3c4b 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -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;
diff --git a/src/simulation.cpp b/src/simulation.cpp
index c2672c750..1b39c1329 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -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)));
       }
     }