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https://github.com/openmc-dev/openmc.git
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Improvements in Tally interfaces
This commit is contained in:
Paul Romano
parent
13c2c837b1
commit
9553f2908a
6 changed files with 124 additions and 67 deletions
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@ -95,7 +95,7 @@ extern "C" {
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int openmc_tally_get_active(int32_t index, bool* active);
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int openmc_tally_get_estimator(int32_t index, int* estimator);
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int openmc_tally_get_id(int32_t index, int32_t* id);
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int openmc_tally_get_filters(int32_t index, const int32_t** indices, int* n);
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int openmc_tally_get_filters(int32_t index, const int32_t** indices, size_t* n);
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int openmc_tally_get_n_realizations(int32_t index, int32_t* n);
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int openmc_tally_get_nuclides(int32_t index, int** nuclides, int* n);
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int openmc_tally_get_scores(int32_t index, int** scores, int* n);
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@ -104,7 +104,7 @@ extern "C" {
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int openmc_tally_results(int32_t index, double** ptr, size_t shape_[3]);
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int openmc_tally_set_active(int32_t index, bool active);
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int openmc_tally_set_estimator(int32_t index, const char* estimator);
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int openmc_tally_set_filters(int32_t index, int n, const int32_t* indices);
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int openmc_tally_set_filters(int32_t index, size_t n, const int32_t* indices);
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int openmc_tally_set_id(int32_t index, int32_t id);
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int openmc_tally_set_nuclides(int32_t index, int n, const char** nuclides);
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int openmc_tally_set_scores(int32_t index, int n, const char** scores);
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@ -2,8 +2,10 @@
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#define OPENMC_TALLIES_TALLY_H
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#include "openmc/constants.h"
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#include "openmc/tallies/filter.h"
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#include "openmc/tallies/trigger.h"
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#include <gsl/gsl>
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#include "pugixml.hpp"
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#include "xtensor/xfixed.hpp"
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#include "xtensor/xtensor.hpp"
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@ -21,16 +23,22 @@ namespace openmc {
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class Tally {
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public:
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Tally();
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explicit Tally(int32_t id);
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static Tally* create(int32_t id = -1);
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void init_from_xml(pugi::xml_node node);
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void set_id(int32_t id);
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void set_scores(pugi::xml_node node);
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void set_scores(std::vector<std::string> scores);
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void set_scores(const std::vector<std::string>& scores);
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void set_nuclides(pugi::xml_node node);
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void set_nuclides(const std::vector<std::string>& nuclides);
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//----------------------------------------------------------------------------
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// Methods for getting and setting filter/stride data.
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@ -38,7 +46,7 @@ public:
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int32_t filters(int i) const {return filters_[i];}
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void set_filters(const int32_t filter_indices[], int n);
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void set_filters(gsl::span<Filter*> filters);
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int32_t strides(int i) const {return strides_[i];}
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@ -112,6 +120,8 @@ private:
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std::vector<int32_t> strides_;
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int32_t n_filter_bins_ {0};
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gsl::index index_;
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};
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//==============================================================================
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@ -94,6 +94,7 @@ _dll.openmc_zernike_filter_set_order.restype = c_int
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_dll.openmc_zernike_filter_set_order.errcheck = _error_handler
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_dll.tally_filters_size.restype = c_size_t
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class Filter(_FortranObjectWithID):
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__instances = WeakValueDictionary()
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@ -36,7 +36,7 @@ _dll.openmc_tally_get_id.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_tally_get_id.restype = c_int
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_dll.openmc_tally_get_id.errcheck = _error_handler
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_dll.openmc_tally_get_filters.argtypes = [
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c_int32, POINTER(POINTER(c_int32)), POINTER(c_int)]
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c_int32, POINTER(POINTER(c_int32)), POINTER(c_size_t)]
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_dll.openmc_tally_get_filters.restype = c_int
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_dll.openmc_tally_get_filters.errcheck = _error_handler
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_dll.openmc_tally_get_n_realizations.argtypes = [c_int32, POINTER(c_int32)]
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@ -63,7 +63,7 @@ _dll.openmc_tally_results.errcheck = _error_handler
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_dll.openmc_tally_set_active.argtypes = [c_int32, c_bool]
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_dll.openmc_tally_set_active.restype = c_int
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_dll.openmc_tally_set_active.errcheck = _error_handler
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_dll.openmc_tally_set_filters.argtypes = [c_int32, c_int, POINTER(c_int32)]
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_dll.openmc_tally_set_filters.argtypes = [c_int32, c_size_t, POINTER(c_int32)]
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_dll.openmc_tally_set_filters.restype = c_int
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_dll.openmc_tally_set_filters.errcheck = _error_handler
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_dll.openmc_tally_set_estimator.argtypes = [c_int32, c_char_p]
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@ -249,7 +249,7 @@ class Tally(_FortranObjectWithID):
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@property
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def filters(self):
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filt_idx = POINTER(c_int32)()
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n = c_int()
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n = c_size_t()
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_dll.openmc_tally_get_filters(self._index, filt_idx, n)
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return [_get_filter(filt_idx[i]) for i in range(n.value)]
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@ -143,13 +143,27 @@ Filter* Filter::create(const std::string& type, int32_t id)
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void Filter::set_id(int32_t id)
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{
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Expects(id >= 0);
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Expects(id >= -1);
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// Clear entry in filter map if an ID was already assigned before
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if (id_ != -1) {
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model::filter_map.erase(id_);
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id_ = -1;
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}
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// Make sure no other filter has same ID
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if (model::filter_map.find(id) != model::filter_map.end()) {
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throw std::runtime_error{"Two filters have the same ID: " + std::to_string(id)};
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}
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// Clear entry in filter map if an ID was already assigned before
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if (id_ != -1) model::filter_map.erase(id_);
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// If no ID specified, auto-assign next ID in sequence
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if (id == -1) {
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id = 0;
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for (const auto& f : model::tally_filters) {
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id = std::max(id, f->id_);
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}
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++id;
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}
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// Update ID and entry in filter map
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id_ = id;
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@ -183,13 +197,7 @@ openmc_filter_set_id(int32_t index, int32_t id)
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{
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if (int err = verify_filter(index)) return err;
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if (model::filter_map.find(id) != model::filter_map.end()) {
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set_errmsg("Two filters have the same ID: " + std::to_string(id));
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return OPENMC_E_INVALID_ID;
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}
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model::tally_filters[index]->id_ = id;
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model::filter_map[id] = index;
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model::tally_filters[index]->set_id(id);
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return 0;
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}
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@ -240,9 +240,18 @@ score_str_to_int(std::string score_str)
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// Tally object implementation
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//==============================================================================
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Tally::Tally()
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Tally::Tally(int32_t id)
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: index_{model::tallies.size()}
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{
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this->set_filters(nullptr, 0);
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this->set_id(id);
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this->set_filters({});
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}
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Tally*
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Tally::create(int32_t id)
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{
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model::tallies.push_back(std::make_unique<Tally>(id));
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return model::tallies.back().get();
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}
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void
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@ -252,25 +261,55 @@ Tally::init_from_xml(pugi::xml_node node)
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}
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void
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Tally::set_filters(const int32_t filter_indices[], int n)
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Tally::set_id(int32_t id)
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{
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Expects(id >= -1);
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// Clear entry in tally map if an ID was already assigned before
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if (id_ != -1) {
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model::tally_map.erase(id_);
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id_ = -1;
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}
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// Make sure no other tally has the same ID
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if (model::tally_map.find(id) != model::tally_map.end()) {
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throw std::runtime_error{"Two tallies have the same ID: " + std::to_string(id)};
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}
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// If no ID specified, auto-assign next ID in sequence
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if (id == -1) {
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id = 0;
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for (const auto& t : model::tallies) {
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id = std::max(id, t->id_);
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}
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++id;
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}
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// Update ID and entry in tally map
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id_ = id;
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model::tally_map[id] = index_;
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}
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void
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Tally::set_filters(gsl::span<Filter*> filters)
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{
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// Clear old data.
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filters_.clear();
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strides_.clear();
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// Copy in the given filter indices.
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filters_.assign(filter_indices, filter_indices + n);
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auto n = filters.size();
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filters_.reserve(n);
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for (int i = 0; i < n; ++i) {
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auto i_filt = filters_[i];
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if (i_filt < 0 || i_filt >= model::tally_filters.size())
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throw std::out_of_range("Index in tally filter array out of bounds.");
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// Add index to vector of filters
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auto& f {filters[i]};
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filters_.push_back(model::filter_map.at(f->id_));
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// Keep track of indices for special filters.
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const auto* filt = model::tally_filters[i_filt].get();
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if (dynamic_cast<const EnergyoutFilter*>(filt)) {
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if (dynamic_cast<const EnergyoutFilter*>(f)) {
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energyout_filter_ = i;
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} else if (dynamic_cast<const DelayedGroupFilter*>(filt)) {
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} else if (dynamic_cast<const DelayedGroupFilter*>(f)) {
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delayedgroup_filter_ = i;
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}
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}
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@ -298,7 +337,7 @@ Tally::set_scores(pugi::xml_node node)
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}
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void
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Tally::set_scores(std::vector<std::string> scores)
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Tally::set_scores(const std::vector<std::string>& scores)
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{
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// Reset state and prepare for the new scores.
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scores_.clear();
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@ -450,17 +489,25 @@ Tally::set_nuclides(pugi::xml_node node)
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// The user provided specifics nuclides. Parse it as an array with either
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// "total" or a nuclide name like "U-235" in each position.
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auto words = get_node_array<std::string>(node, "nuclides");
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for (auto word : words) {
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if (word == "total") {
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nuclides_.push_back(-1);
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} else {
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auto search = data::nuclide_map.find(word);
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if (search == data::nuclide_map.end())
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fatal_error("Could not find the nuclide " + word
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+ " specified in tally " + std::to_string(id_)
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+ " in any material");
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nuclides_.push_back(search->second);
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}
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this->set_nuclides(words);
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}
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}
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void
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Tally::set_nuclides(const std::vector<std::string>& nuclides)
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{
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nuclides_.clear();
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for (const auto& nuc : nuclides) {
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if (nuc == "total") {
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nuclides_.push_back(-1);
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} else {
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auto search = data::nuclide_map.find(nuc);
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if (search == data::nuclide_map.end())
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fatal_error("Could not find the nuclide " + nuc
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+ " specified in tally " + std::to_string(id_)
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+ " in any material");
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nuclides_.push_back(search->second);
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}
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}
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}
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@ -628,22 +675,14 @@ void read_tallies_xml()
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}
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for (auto node_tal : root.children("tally")) {
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model::tallies.push_back(std::make_unique<Tally>());
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auto& t {model::tallies.back()};
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t->init_from_xml(node_tal);
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// Copy and set tally id
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if (!check_for_node(node_tal, "id")) {
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fatal_error("Must specify id for tally in tally XML file.");
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}
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t->id_ = std::stoi(get_node_value(node_tal, "id"));
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model::tally_map[t->id_] = model::tallies.size() - 1;
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int32_t id = std::stoi(get_node_value(node_tal, "id"));
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// Copy tally name
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if (check_for_node(node_tal, "name")) {
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t->name_ = get_node_value(node_tal, "name");
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}
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auto t = Tally::create(id);
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t->init_from_xml(node_tal);
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// =======================================================================
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// READ DATA FOR FILTERS
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@ -665,7 +704,7 @@ void read_tallies_xml()
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// Allocate and store filter user ids
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if (!filters.empty()) {
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std::vector<int> filter_indices;
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std::vector<Filter*> filter_ptrs;
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for (int filter_id : filters) {
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// Determine if filter ID is valid
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auto it = model::filter_map.find(filter_id);
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@ -675,11 +714,11 @@ void read_tallies_xml()
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}
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// Store the index of the filter
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filter_indices.push_back(it->second);
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filter_ptrs.push_back(model::tally_filters[it->second].get());
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}
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// Set the filters
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t->set_filters(filter_indices.data(), filter_indices.size());
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t->set_filters(filter_ptrs);
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}
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// Check for the presence of certain filter types
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@ -1028,7 +1067,7 @@ openmc_extend_tallies(int32_t n, int32_t* index_start, int32_t* index_end)
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if (index_start) *index_start = model::tallies.size();
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if (index_end) *index_end = model::tallies.size() + n - 1;
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for (int i = 0; i < n; ++i) {
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model::tallies.push_back(std::make_unique<Tally>());
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model::tallies.push_back(std::make_unique<Tally>(-1));
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}
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return 0;
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}
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@ -1112,14 +1151,7 @@ openmc_tally_set_id(int32_t index, int32_t id)
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return OPENMC_E_OUT_OF_BOUNDS;
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}
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if (model::tally_map.find(id) != model::tally_map.end()) {
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set_errmsg("Two or more tallies use the same unique ID: "
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+ std::to_string(id));
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return OPENMC_E_INVALID_ID;
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}
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model::tallies[index]->id_ = id;
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model::tally_map[id] = index;
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model::tallies[index]->set_id(id);
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return 0;
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}
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@ -1259,7 +1291,7 @@ openmc_tally_set_nuclides(int32_t index, int n, const char** nuclides)
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}
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extern "C" int
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openmc_tally_get_filters(int32_t index, const int32_t** indices, int* n)
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openmc_tally_get_filters(int32_t index, const int32_t** indices, size_t* n)
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{
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if (index < 0 || index >= model::tallies.size()) {
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set_errmsg("Index in tallies array is out of bounds.");
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@ -1272,7 +1304,7 @@ openmc_tally_get_filters(int32_t index, const int32_t** indices, int* n)
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}
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extern "C" int
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openmc_tally_set_filters(int32_t index, int n, const int32_t* indices)
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openmc_tally_set_filters(int32_t index, size_t n, const int32_t* indices)
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{
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// Make sure the index fits in the array bounds.
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if (index < 0 || index >= model::tallies.size()) {
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@ -1282,9 +1314,15 @@ openmc_tally_set_filters(int32_t index, int n, const int32_t* indices)
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// Set the filters.
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try {
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model::tallies[index]->set_filters(indices, n);
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// Convert indices to filter pointers
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std::vector<Filter*> filters;
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for (gsl::index i = 0; i < n; ++i) {
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int32_t i_filt = indices[i];
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filters.push_back(model::tally_filters.at(i_filt).get());
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}
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model::tallies[index]->set_filters(filters);
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} catch (const std::out_of_range& ex) {
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set_errmsg(ex.what());
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set_errmsg("Index in tally filter array out of bounds.");
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return OPENMC_E_OUT_OF_BOUNDS;
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}
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