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Start converting material xs lookup

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This commit is contained in:
Paul Romano 2019-01-03 11:31:51 -06:00
parent 57adc4909d
commit 6b583d615c
4 changed files with 386 additions and 7 deletions
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30
include/openmc/material.h
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@ -2,10 +2,12 @@
#define OPENMC_MATERIAL_H
#include <memory> // for unique_ptr
#include <string>
#include <unordered_map>
#include <vector>
#include "pugixml.hpp"
#include "xtensor/xtensor.hpp"
#include "openmc/bremsstrahlung.h"
#include "openmc/particle.h"
@ -32,9 +34,26 @@ extern std::unordered_map<int32_t, int32_t> material_map;
class Material
{
public:
// Constructors
Material() {};
explicit Material(pugi::xml_node material_node);
// Methods
void calculate_xs(const Particle& p) const;
//! Initialize bremsstrahlung data
void init_bremsstrahlung();
// Data
int32_t id_; //!< Unique ID
std::string name_; //!< Name of material
xt::xtensor<int, 1> nuclide_; //!< Indices in nuclides vector
xt::xtensor<int, 1> element_; //!< Indices in elements vector
xt::xtensor<double, 1> atom_density_; //!< Nuclide atom density in [atom/b-cm]
double density_; //!< Total atom density in [atom/b-cm]
double volume_ {-1.0}; //!< Volume in [cm^3]
bool fissionable {false}; //!< Does this material contain fissionable nuclides
bool fissionable_ {false}; //!< Does this material contain fissionable nuclides
bool depletable_ {false}; //!< Is the material depletable?
//! \brief Default temperature for cells containing this material.
//!
@ -43,12 +62,9 @@ public:
std::unique_ptr<Bremsstrahlung> ttb_;
Material() {};
explicit Material(pugi::xml_node material_node);
//! Initialize bremsstrahlung data
void init_bremsstrahlung();
private:
void calculate_neutron_xs(const Particle& p) const;
void calculate_photon_xs(const Particle& p) const;
};
//==============================================================================

2
include/openmc/nuclide.h
View file

@ -6,6 +6,7 @@
#include <array>
#include <memory> // for unique_ptr
#include <unordered_map>
#include <vector>
#include <hdf5.h>
@ -180,6 +181,7 @@ extern std::array<double, 2> energy_min;
extern std::array<double, 2> energy_max;
extern std::vector<std::unique_ptr<Nuclide>> nuclides;
extern std::unordered_map<std::string, int> nuclide_map;
} // namespace data