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A little more cleanup of volume calculations

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This commit is contained in:
Paul Romano 2019-02-06 23:46:45 -06:00
parent 9bce2c357b
commit bd2d96568b
2 changed files with 39 additions and 28 deletions
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25
include/openmc/volume_calc.h
View file

@ -18,8 +18,6 @@ namespace openmc {
class VolumeCalculation {
public:
// Aliases, types
using int_2dvec = std::vector<std::vector<int>>;
struct Result {
std::array<double, 2> volume; //!< Mean/standard deviation of volume
std::vector<int> nuclides; //!< Index of nuclides
@ -28,12 +26,21 @@ public:
}; // Results for a single domain
// Constructors
VolumeCalculation() = default;
VolumeCalculation(pugi::xml_node node);
// Methods
//! \brief Stochastically determine the volume of a set of domains along with the
//! average number densities of nuclides within the domain
//
//! \return Vector of results for each user-specified domain
std::vector<Result> execute() const;
void write_volume(const std::string& filename, const std::vector<Result>& results) const;
//! \brief Write volume calculation results to HDF5 file
//
//! \param[in] filename Path to HDF5 file to write
//! \param[in] results Vector of results for each domain
void to_hdf5(const std::string& filename, const std::vector<Result>& results) const;
// Data members
int domain_type_; //!< Type of domain (cell, material, etc.)
@ -43,8 +50,14 @@ public:
std::vector<int> domain_ids_; //!< IDs of domains to find volumes of
private:
void check_hit(int i_domain, int i_material, int_2dvec& indices,
int_2dvec& hits) const;
//! \brief Check whether a material has already been hit for a given domain.
//! If not, add new entries to the vectors
//
//! \param[in] i_material Index in global materials vector
//! \param[in,out] indices Vector of material indices
//! \param[in,out] hits Number of hits corresponding to each material
void check_hit(int i_material, std::vector<int>& indices,
std::vector<int>& hits) const;
};

42
src/volume_calc.cpp
View file

@ -63,14 +63,14 @@ VolumeCalculation::VolumeCalculation(pugi::xml_node node) {
n_samples_ = std::stoi(get_node_value(node, "samples"));
}
void VolumeCalculation::check_hit(int i_domain, int i_material,
int_2dvec& indices, int_2dvec& hits) const {
void VolumeCalculation::check_hit(int i_material, std::vector<int>& indices,
std::vector<int>& hits) const {
// Check if this material was previously hit and if so, increment count
bool already_hit = false;
for (int j = 0; j < indices[i_domain].size(); j++) {
if (indices[i_domain][j] == i_material) {
hits[i_domain][j]++;
for (int j = 0; j < indices.size(); j++) {
if (indices[j] == i_material) {
hits[j]++;
already_hit = true;
}
}
@ -78,23 +78,17 @@ void VolumeCalculation::check_hit(int i_domain, int i_material,
// If the material was not previously hit, append an entry to the material
// indices and hits lists
if (!already_hit) {
indices[i_domain].push_back(i_material);
hits[i_domain].push_back(1);
indices.push_back(i_material);
hits.push_back(1);
}
}
// Stochastically determin the volume of a set of domains along with the
// average number densities of nuclides within the domain
// @param volumes volume mean/stdev in each domain
// @param i_nuclides indices in nuclides array
// @param n_atoms total # of atoms of each nuclide
// @param n_atoms_uncertainty uncertainty of total # of atoms
std::vector<VolumeCalculation::Result> VolumeCalculation::execute() const
{
// Shared data that is collected from all threads
int n = domain_ids_.size();
int_2dvec master_indices(n); // List of material indices for each domain
int_2dvec master_hits(n); // Number of hits for each material in each domain
std::vector<std::vector<int>> master_indices(n); // List of material indices for each domain
std::vector<std::vector<int>> master_hits(n); // Number of hits for each material in each domain
// Divide work over MPI processes
int min_samples = n_samples_ / mpi::n_procs;
@ -112,8 +106,8 @@ std::vector<VolumeCalculation::Result> VolumeCalculation::execute() const
#pragma omp parallel
{
// Variables that are private to each thread
int_2dvec indices(n);
int_2dvec hits(n);
std::vector<std::vector<int>> indices(n);
std::vector<std::vector<int>> hits(n);
Particle p;
p.initialize();
@ -143,7 +137,7 @@ std::vector<VolumeCalculation::Result> VolumeCalculation::execute() const
if (i_material != MATERIAL_VOID) {
for (int i_domain = 0; i_domain < n; i_domain++) {
if (model::materials[i_material]->id_ == domain_ids_[i_domain]) {
this->check_hit(i_domain, i_material, indices, hits);
this->check_hit(i_material, indices[i_domain], hits[i_domain]);
}
}
}
@ -151,7 +145,7 @@ std::vector<VolumeCalculation::Result> VolumeCalculation::execute() const
for (int level = 0; level < p.n_coord; ++level) {
for (int i_domain=0; i_domain < n; i_domain++) {
if (model::cells[p.coord[level].cell]->id_ == domain_ids_[i_domain]) {
this->check_hit(i_domain, i_material, indices, hits);
this->check_hit(i_material, indices[i_domain], hits[i_domain]);
}
}
}
@ -159,7 +153,7 @@ std::vector<VolumeCalculation::Result> VolumeCalculation::execute() const
for (int level = 0; level < p.n_coord; ++level) {
for (int i_domain = 0; i_domain < n; ++i_domain) {
if (model::universes[p.coord[level].universe]->id_ == domain_ids_[i_domain]) {
check_hit(i_domain, i_material, indices, hits);
check_hit(i_material, indices[i_domain], hits[i_domain]);
}
}
}
@ -296,7 +290,7 @@ std::vector<VolumeCalculation::Result> VolumeCalculation::execute() const
return results;
}
void VolumeCalculation::write_volume(const std::string& filename,
void VolumeCalculation::to_hdf5(const std::string& filename,
const std::vector<Result>& results) const
{
// Create HDF5 file
@ -407,7 +401,7 @@ int openmc_calculate_volumes() {
// Write volumes to HDF5 file
std::string filename = settings::path_output + "volume_"
+ std::to_string(i+1) + ".h5";
vol_calc.write_volume(filename, results);
vol_calc.to_hdf5(filename, results);
}
}
@ -422,4 +416,8 @@ int openmc_calculate_volumes() {
return 0;
}
//==============================================================================
// Fortran compatibility
//==============================================================================
extern "C" void free_memory_volume() { openmc::model::volume_calcs.clear(); }