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Ability to compute material volume fractions over mesh elements (#2802)

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Paul Romano 2024-01-19 09:01:18 -06:00 • committed by GitHub
parent 2c5b740738
commit 187160d082
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8 changed files with 360 additions and 39 deletions
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3
include/openmc/capi.h
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@ -105,6 +105,9 @@ int openmc_mesh_filter_get_translation(int32_t index, double translation[3]);
int openmc_mesh_filter_set_translation(int32_t index, double translation[3]);
int openmc_mesh_get_id(int32_t index, int32_t* id);
int openmc_mesh_set_id(int32_t index, int32_t id);
int openmc_mesh_get_n_elements(int32_t index, size_t* n);
int openmc_mesh_material_volumes(int32_t index, int n_sample, int bin,
int result_size, void* result, int* hits, uint64_t* seed);
int openmc_meshsurface_filter_get_mesh(int32_t index, int32_t* index_mesh);
int openmc_meshsurface_filter_set_mesh(int32_t index, int32_t index_mesh);
int openmc_new_filter(const char* type, int32_t* index);

30
include/openmc/mesh.h
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@ -9,6 +9,7 @@
#include "hdf5.h"
#include "pugixml.hpp"
#include "xtensor/xtensor.hpp"
#include <gsl/gsl-lite.hpp>
#include "openmc/error.h"
#include "openmc/memory.h" // for unique_ptr
@ -69,6 +70,12 @@ extern const libMesh::Parallel::Communicator* libmesh_comm;
class Mesh {
public:
// Types, aliases
struct MaterialVolume {
int32_t material; //!< material index
double volume; //!< volume in [cm^3]
};
// Constructors and destructor
Mesh() = default;
Mesh(pugi::xml_node node);
@ -159,9 +166,28 @@ public:
virtual std::string get_mesh_type() const = 0;
//! Determine volume of materials within a single mesh elemenet
//
//! \param[in] n_sample Number of samples within each element
//! \param[in] bin Index of mesh element
//! \param[out] Array of (material index, volume) for desired element
//! \param[inout] seed Pseudorandom number seed
//! \return Number of materials within element
int material_volumes(int n_sample, int bin, gsl::span<MaterialVolume> volumes,
uint64_t* seed) const;
//! Determine volume of materials within a single mesh elemenet
//
//! \param[in] n_sample Number of samples within each element
//! \param[in] bin Index of mesh element
//! \param[inout] seed Pseudorandom number seed
//! \return Vector of (material index, volume) for desired element
vector<MaterialVolume> material_volumes(
int n_sample, int bin, uint64_t* seed) const;
// Data members
int id_ {-1}; //!< User-specified ID
int n_dimension_; //!< Number of dimensions
int id_ {-1}; //!< User-specified ID
int n_dimension_ {-1}; //!< Number of dimensions
};
class StructuredMesh : public Mesh {

36
include/openmc/volume_calc.h
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@ -1,18 +1,23 @@
#ifndef OPENMC_VOLUME_CALC_H
#define OPENMC_VOLUME_CALC_H
#include <algorithm> // for find
#include <cstdint>
#include <string>
#include <vector>
#include "openmc/array.h"
#include "openmc/openmp_interface.h"
#include "openmc/position.h"
#include "openmc/tallies/trigger.h"
#include "openmc/vector.h"
#include "pugixml.hpp"
#include "xtensor/xtensor.hpp"
#include <gsl/gsl-lite.hpp>
#ifdef _OPENMP
#include <omp.h>
#endif
namespace openmc {
@ -89,6 +94,35 @@ extern vector<VolumeCalculation> volume_calcs;
// Non-member functions
//==============================================================================
//! Reduce vector of indices and hits from each thread to a single copy
//
//! \param[in] local_indices Indices specific to each thread
//! \param[in] local_hits Hit count specific to each thread
//! \param[out] indices Reduced vector of indices
//! \param[out] hits Reduced vector of hits
template<typename T, typename T2>
void reduce_indices_hits(const vector<T>& local_indices,
const vector<T2>& local_hits, vector<T>& indices, vector<T2>& hits)
{
const int n_threads = num_threads();
#pragma omp for ordered schedule(static, 1)
for (int i = 0; i < n_threads; ++i) {
#pragma omp ordered
for (int j = 0; j < local_indices.size(); ++j) {
// Check if this material has been added to the master list and if
// so, accumulate the number of hits
auto it = std::find(indices.begin(), indices.end(), local_indices[j]);
if (it == indices.end()) {
indices.push_back(local_indices[j]);
hits.push_back(local_hits[j]);
} else {
hits[it - indices.begin()] += local_hits[j];
}
}
}
}
void free_memory_volume();
} // namespace openmc