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Create C++ TallyDerivative struct

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This commit is contained in:
Sterling Harper 2019-01-26 12:10:18 -05:00
parent 0efcf24d76
commit 06caf67ccf
8 changed files with 172 additions and 51 deletions
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23
include/openmc/constants.h
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@ -367,24 +367,6 @@ constexpr int NO_BIN_FOUND {-1};
constexpr int FILTER_UNIVERSE {1};
constexpr int FILTER_MATERIAL {2};
constexpr int FILTER_CELL {3};
constexpr int FILTER_CELLBORN {4};
constexpr int FILTER_SURFACE {5};
constexpr int FILTER_MESH {6};
constexpr int FILTER_ENERGYIN {7};
constexpr int FILTER_ENERGYOUT {8};
constexpr int FILTER_DISTRIBCELL {9};
constexpr int FILTER_MU {10};
constexpr int FILTER_POLAR {11};
constexpr int FILTER_AZIMUTHAL {12};
constexpr int FILTER_DELAYEDGROUP {13};
constexpr int FILTER_ENERGYFUNCTION {14};
constexpr int FILTER_CELLFROM {15};
constexpr int FILTER_MESHSURFACE {16};
constexpr int FILTER_LEGENDRE {17};
constexpr int FILTER_SPH_HARMONICS {18};
constexpr int FILTER_SPTL_LEGENDRE {19};
constexpr int FILTER_ZERNIKE {20};
constexpr int FILTER_PARTICLE {21};
// Mesh types
constexpr int MESH_REGULAR {1};
@ -415,11 +397,6 @@ constexpr int K_ABSORPTION {1};
constexpr int K_TRACKLENGTH {2};
constexpr int LEAKAGE {3};
// Differential tally independent variables
constexpr int DIFF_DENSITY {1};
constexpr int DIFF_NUCLIDE_DENSITY {2};
constexpr int DIFF_TEMPERATURE {3};
// Miscellaneous
constexpr int C_NONE {-1};
constexpr int F90_NONE {0}; //TODO: replace usage of this with C_NONE

12
include/openmc/nuclide.h
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@ -25,10 +25,10 @@ namespace openmc {
constexpr double CACHE_INVALID {-1.0};
//===============================================================================
//==============================================================================
//! Cached microscopic cross sections for a particular nuclide at the current
//! energy
//===============================================================================
//==============================================================================
struct NuclideMicroXS {
// Microscopic cross sections in barns
@ -63,10 +63,10 @@ struct NuclideMicroXS {
//!< * temperature (eV))
};
//===============================================================================
//==============================================================================
// MATERIALMACROXS contains cached macroscopic cross sections for the material a
// particle is traveling through
//===============================================================================
//==============================================================================
struct MaterialMacroXS {
double total; //!< macroscopic total xs
@ -82,9 +82,9 @@ struct MaterialMacroXS {
double pair_production; //!< macroscopic pair production xs
};
//===============================================================================
//==============================================================================
// Data for a nuclide
//===============================================================================
//==============================================================================
class Nuclide {
public:

51
include/openmc/tallies/derivative.h Normal file
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@ -0,0 +1,51 @@
#ifndef OPENMC_TALLIES_DERIVATIVE_H
#define OPENMC_TALLIES_DERIVATIVE_H
#include <unordered_map>
#include <vector>
#include "pugixml.hpp"
//==============================================================================
//! Describes a first-order derivative that can be applied to tallies.
//==============================================================================
namespace openmc {
struct TallyDerivative {
int id; //!< User-defined identifier
int variable; //!< Independent variable (like temperature)
int diff_material; //!< Material this derivative is applied to
int diff_nuclide; //!< Nuclide this material is applied to
double flux_deriv; //!< Derivative of the current particle's weight
TallyDerivative() {}
TallyDerivative(pugi::xml_node node);
};
} // namespace openmc
//==============================================================================
// Global variables
//==============================================================================
// Explicit vector template specialization declaration of threadprivate variable
// outside of the openmc namespace for the picky Intel compiler.
extern template class std::vector<openmc::TallyDerivative>;
namespace openmc {
namespace model {
extern std::vector<TallyDerivative> tally_derivs;
#pragma omp threadprivate(tally_derivs)
extern std::unordered_map<int, int> tally_deriv_map;
}
// Independent variables
//TODO: convert to enum
constexpr int DIFF_DENSITY {1};
constexpr int DIFF_NUCLIDE_DENSITY {2};
constexpr int DIFF_TEMPERATURE {3};
}
#endif // OPENMC_TALLIES_DERIVATIVE_H