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Move calculate_xs for photon data to C++

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This commit is contained in:
Paul Romano 2019-01-08 08:36:44 -06:00
parent 2e6ac03433
commit 39cf5a8ce7
5 changed files with 89 additions and 325 deletions
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13
include/openmc/photon.h
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@ -39,9 +39,11 @@ public:
class PhotonInteraction {
public:
// Constructors
PhotonInteraction(hid_t group);
PhotonInteraction(hid_t group, int i_element);
// Methods
void calculate_xs(double E) const;
void compton_scatter(double alpha, bool doppler, double* alpha_out,
double* mu, int* i_shell) const;
@ -53,8 +55,9 @@ public:
void atomic_relaxation(const ElectronSubshell& shell, Particle& p) const;
// Data members
std::string name_; //! Name of element, e.g. "Zr"
int Z_; //! Atomic number
std::string name_; //!< Name of element, e.g. "Zr"
int Z_; //!< Atomic number
int i_element_; //!< Index in global elements vector
// Microscopic cross sections
xt::xtensor<double, 1> energy_;
@ -72,8 +75,8 @@ public:
Tabulated1D coherent_anomalous_imag_;
// Photoionization and atomic relaxation data
std::unordered_map<int, int> shell_map_; // Given a shell designator, e.g. 3, this
// dictionary gives an index in shells_
std::unordered_map<int, int> shell_map_; //!< Given a shell designator, e.g. 3, this
//!< dictionary gives an index in shells_
std::vector<ElectronSubshell> shells_;
// Compton profile data