27173901093

Committed 08 Jun 2026 11:37PM UTC coverage: 81.268% (+0.002%) from 81.266%

Build # 27173901093

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push

github

Committed by

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Commit Message

Fix collision track feature for photon transport (#3946)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>

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8 of 8 new or added lines in 2 files covered. (100.0%)

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86.55

/src/collision_track.cpp

#include "openmc/collision_track.h"

#include <algorithm>
#include <string>

#include <fmt/format.h>

#include "openmc/bank.h"
#include "openmc/bank_io.h"
#include "openmc/cell.h"
#include "openmc/constants.h"
#include "openmc/error.h"
#include "openmc/file_utils.h"
#include "openmc/hdf5_interface.h"
#include "openmc/material.h"
#include "openmc/mcpl_interface.h"
#include "openmc/message_passing.h"
#include "openmc/nuclide.h"
#include "openmc/output.h"
#include "openmc/particle.h"
#include "openmc/settings.h"
#include "openmc/simulation.h"
#include "openmc/universe.h"

#ifdef OPENMC_MPI
#include <mpi.h>
#endif

namespace openmc {

namespace {

hid_t h5_collision_track_banktype()
{
  hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(Position));
  H5Tinsert(postype, "x", HOFFSET(Position, x), H5T_NATIVE_DOUBLE);
  H5Tinsert(postype, "y", HOFFSET(Position, y), H5T_NATIVE_DOUBLE);
  H5Tinsert(postype, "z", HOFFSET(Position, z), H5T_NATIVE_DOUBLE);

  hid_t banktype = H5Tcreate(H5T_COMPOUND, sizeof(CollisionTrackSite));

  H5Tinsert(banktype, "r", HOFFSET(CollisionTrackSite, r), postype);
  H5Tinsert(banktype, "u", HOFFSET(CollisionTrackSite, u), postype);
  H5Tinsert(banktype, "E", HOFFSET(CollisionTrackSite, E), H5T_NATIVE_DOUBLE);
  H5Tinsert(banktype, "dE", HOFFSET(CollisionTrackSite, dE), H5T_NATIVE_DOUBLE);
  H5Tinsert(
    banktype, "time", HOFFSET(CollisionTrackSite, time), H5T_NATIVE_DOUBLE);
  H5Tinsert(
    banktype, "wgt", HOFFSET(CollisionTrackSite, wgt), H5T_NATIVE_DOUBLE);
  H5Tinsert(banktype, "event_mt", HOFFSET(CollisionTrackSite, event_mt),
    H5T_NATIVE_INT);
  H5Tinsert(banktype, "delayed_group",
    HOFFSET(CollisionTrackSite, delayed_group), H5T_NATIVE_INT);
  H5Tinsert(
    banktype, "cell_id", HOFFSET(CollisionTrackSite, cell_id), H5T_NATIVE_INT);
  H5Tinsert(banktype, "nuclide_id", HOFFSET(CollisionTrackSite, nuclide_id),
    H5T_NATIVE_INT);
  H5Tinsert(banktype, "material_id", HOFFSET(CollisionTrackSite, material_id),
    H5T_NATIVE_INT);
  H5Tinsert(banktype, "universe_id", HOFFSET(CollisionTrackSite, universe_id),
    H5T_NATIVE_INT);
  H5Tinsert(banktype, "n_collision", HOFFSET(CollisionTrackSite, n_collision),
    H5T_NATIVE_INT);
  H5Tinsert(banktype, "particle", HOFFSET(CollisionTrackSite, particle),
    H5T_NATIVE_INT);
  H5Tinsert(banktype, "parent_id", HOFFSET(CollisionTrackSite, parent_id),
    H5T_NATIVE_INT64);
  H5Tinsert(banktype, "progeny_id", HOFFSET(CollisionTrackSite, progeny_id),
    H5T_NATIVE_INT64);
  H5Tclose(postype);
  return banktype;
}

void write_collision_track_bank(hid_t group_id,
  openmc::span<CollisionTrackSite> collision_track_bank,
  const openmc::vector<int64_t>& bank_index)
{
  hid_t banktype = h5_collision_track_banktype();
#ifdef OPENMC_MPI
  write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
    bank_index, banktype, banktype, mpi::collision_track_site);
#else
  write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
    bank_index, banktype, banktype);
#endif

  H5Tclose(banktype);
}

void write_h5_collision_track(const char* filename,
  openmc::span<CollisionTrackSite> collision_track_bank,
  const openmc::vector<int64_t>& bank_index)
{
#ifdef PHDF5
  bool parallel = true;
#else
  bool parallel = false;
#endif

  if (!filename)
    fatal_error("write_h5_collision_track filename needs a nonempty name.");

  std::string filename_(filename);
  const auto extension = get_file_extension(filename_);
  if (extension.empty()) {
    filename_.append(".h5");
  } else if (extension != "h5") {
    warning("write_h5_collision_track was passed a file extension differing "
            "from .h5, but an hdf5 file will be written.");
  }

  hid_t file_id;
  if (mpi::master || parallel) {
    file_id = file_open(filename_.c_str(), 'w', true);

    // Write filetype and version info
    write_attribute(file_id, "filetype", "collision_track");
    write_attribute(file_id, "version", VERSION_COLLISION_TRACK);
  }

  write_collision_track_bank(file_id, collision_track_bank, bank_index);

  if (mpi::master || parallel)
    file_close(file_id);
}

} // namespace

bool should_record_event(int id_cell, int mt_event, const std::string& nuclide,
  int id_universe, int id_material, double energy_loss)
{
  auto matches_filter = [](const auto& filter_set, const auto& value) {
    return filter_set.empty() || filter_set.count(value) > 0;
  };

  const auto& cfg = settings::collision_track_config;
  return simulation::current_batch > settings::n_inactive &&
         !simulation::collision_track_bank.full() &&
         matches_filter(cfg.cell_ids, id_cell) &&
         matches_filter(cfg.mt_numbers, mt_event) &&
         matches_filter(cfg.universe_ids, id_universe) &&
         matches_filter(cfg.material_ids, id_material) &&
         matches_filter(cfg.nuclides, nuclide) &&
         (cfg.deposited_energy_threshold == 0 ||
           cfg.deposited_energy_threshold < energy_loss);
}

void collision_track_reserve_bank()
{
  simulation::collision_track_bank.reserve(
    settings::collision_track_config.max_collisions);
}

void collision_track_flush_bank()
{
  const auto& cfg = settings::collision_track_config;
  if (simulation::ct_current_file > cfg.max_files)
    return;

  bool last_batch = (simulation::current_batch == settings::n_batches);
  if (!simulation::collision_track_bank.full() && !last_batch)
    return;

  auto size = simulation::collision_track_bank.size();
  if (size == 0 && !last_batch)
    return;

  auto collision_track_work_index = mpi::calculate_parallel_index_vector(size);
  openmc::span<CollisionTrackSite> collisiontrackbankspan(
    simulation::collision_track_bank.begin(), size);

  std::string ext = cfg.mcpl_write ? "mcpl" : "h5";
  auto filename = fmt::format("{}collision_track.{}.{}", settings::path_output,
    simulation::ct_current_file, ext);

  if (cfg.max_files == 1 || (simulation::ct_current_file == 1 && last_batch)) {
    filename = settings::path_output + "collision_track." + ext;
  }
  write_message("Creating {}...", filename, 4);

  if (cfg.mcpl_write) {
    write_mcpl_collision_track(
      filename.c_str(), collisiontrackbankspan, collision_track_work_index);
  } else {
    write_h5_collision_track(
      filename.c_str(), collisiontrackbankspan, collision_track_work_index);
  }

  simulation::collision_track_bank.clear();
  if (!last_batch && cfg.max_files >= 1) {
    collision_track_reserve_bank();
  }
  ++simulation::ct_current_file;
}

void collision_track_record(Particle& particle)
{
  int cell_index = particle.lowest_coord().cell();
  if (cell_index == C_NONE)
    return;

  int cell_id = model::cells[cell_index]->id_;
  std::string nuclide {};
  int nuclide_id = 0;
  if (particle.event_nuclide() != NUCLIDE_NONE) {
    const auto* nuclide_ptr = data::nuclides[particle.event_nuclide()].get();
    nuclide = nuclide_ptr->name_;
    nuclide_id = nuclide_ptr->particle_type().pdg_number();
  }
  int universe_id = model::universes[particle.lowest_coord().universe()]->id_;
  double delta_E = particle.E_last() - particle.E();
  int material_index = particle.material();
  if (material_index == C_NONE)
    return;

  int material_id = model::materials[material_index]->id_;

  if (!should_record_event(cell_id, particle.event_mt(), nuclide, universe_id,
        material_id, delta_E))
    return;

  CollisionTrackSite site;
  site.r = particle.r();
  site.u = particle.u();
  site.E = particle.E_last();
  site.dE = delta_E;
  site.time = particle.time();
  site.wgt = particle.wgt();
  site.event_mt = particle.event_mt();
  site.delayed_group = particle.delayed_group();
  site.cell_id = cell_id;
  site.nuclide_id = nuclide_id;
  site.material_id = material_id;
  site.universe_id = universe_id;
  site.n_collision = particle.n_collision();
  site.particle = particle.type();
  site.parent_id = particle.id();
  site.progeny_id = particle.n_progeny();
  simulation::collision_track_bank.thread_safe_append(site);
}

} // namespace openmc

1	#include "openmc/collision_track.h"
2
3	#include <algorithm>
4	#include <string>
5
6	#include <fmt/format.h>
7
8	#include "openmc/bank.h"
9	#include "openmc/bank_io.h"
10	#include "openmc/cell.h"
11	#include "openmc/constants.h"
12	#include "openmc/error.h"
13	#include "openmc/file_utils.h"
14	#include "openmc/hdf5_interface.h"
15	#include "openmc/material.h"
16	#include "openmc/mcpl_interface.h"
17	#include "openmc/message_passing.h"
18	#include "openmc/nuclide.h"
19	#include "openmc/output.h"
20	#include "openmc/particle.h"
21	#include "openmc/settings.h"
22	#include "openmc/simulation.h"
23	#include "openmc/universe.h"
24
25	#ifdef OPENMC_MPI
26	#include <mpi.h>
27	#endif
28
29	namespace openmc {
30
31	namespace {
32
33	hid_t h5_collision_track_banktype()	149✔
34	{
35	hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(Position));	149✔
36	H5Tinsert(postype, "x", HOFFSET(Position, x), H5T_NATIVE_DOUBLE);	149✔
37	H5Tinsert(postype, "y", HOFFSET(Position, y), H5T_NATIVE_DOUBLE);	149✔
38	H5Tinsert(postype, "z", HOFFSET(Position, z), H5T_NATIVE_DOUBLE);	149✔
39
40	hid_t banktype = H5Tcreate(H5T_COMPOUND, sizeof(CollisionTrackSite));	149✔
41
42	H5Tinsert(banktype, "r", HOFFSET(CollisionTrackSite, r), postype);	149✔
43	H5Tinsert(banktype, "u", HOFFSET(CollisionTrackSite, u), postype);	149✔
44	H5Tinsert(banktype, "E", HOFFSET(CollisionTrackSite, E), H5T_NATIVE_DOUBLE);	149✔
45	H5Tinsert(banktype, "dE", HOFFSET(CollisionTrackSite, dE), H5T_NATIVE_DOUBLE);	149✔
46	H5Tinsert(	149✔
47	banktype, "time", HOFFSET(CollisionTrackSite, time), H5T_NATIVE_DOUBLE);	149✔
48	H5Tinsert(	149✔
49	banktype, "wgt", HOFFSET(CollisionTrackSite, wgt), H5T_NATIVE_DOUBLE);	149✔
50	H5Tinsert(banktype, "event_mt", HOFFSET(CollisionTrackSite, event_mt),	149✔
51	H5T_NATIVE_INT);	149✔
52	H5Tinsert(banktype, "delayed_group",	149✔
53	HOFFSET(CollisionTrackSite, delayed_group), H5T_NATIVE_INT);	149✔
54	H5Tinsert(	149✔
55	banktype, "cell_id", HOFFSET(CollisionTrackSite, cell_id), H5T_NATIVE_INT);	149✔
56	H5Tinsert(banktype, "nuclide_id", HOFFSET(CollisionTrackSite, nuclide_id),	149✔
57	H5T_NATIVE_INT);	149✔
58	H5Tinsert(banktype, "material_id", HOFFSET(CollisionTrackSite, material_id),	149✔
59	H5T_NATIVE_INT);	149✔
60	H5Tinsert(banktype, "universe_id", HOFFSET(CollisionTrackSite, universe_id),	149✔
61	H5T_NATIVE_INT);	149✔
62	H5Tinsert(banktype, "n_collision", HOFFSET(CollisionTrackSite, n_collision),	149✔
63	H5T_NATIVE_INT);	149✔
64	H5Tinsert(banktype, "particle", HOFFSET(CollisionTrackSite, particle),	149✔
65	H5T_NATIVE_INT);	149✔
66	H5Tinsert(banktype, "parent_id", HOFFSET(CollisionTrackSite, parent_id),	149✔
67	H5T_NATIVE_INT64);	149✔
68	H5Tinsert(banktype, "progeny_id", HOFFSET(CollisionTrackSite, progeny_id),	149✔
69	H5T_NATIVE_INT64);	149✔
70	H5Tclose(postype);	149✔
71	return banktype;	149✔
72	}
73
74	void write_collision_track_bank(hid_t group_id,	149✔
75	openmc::span<CollisionTrackSite> collision_track_bank,
76	const openmc::vector<int64_t>& bank_index)
77	{
78	hid_t banktype = h5_collision_track_banktype();	149✔
79	#ifdef OPENMC_MPI
80	write_bank_dataset("collision_track_bank", group_id, collision_track_bank,	72✔
81	bank_index, banktype, banktype, mpi::collision_track_site);
82	#else
83	write_bank_dataset("collision_track_bank", group_id, collision_track_bank,	77✔
84	bank_index, banktype, banktype);
85	#endif
86
87	H5Tclose(banktype);	149✔
88	}	149✔
89
90	void write_h5_collision_track(const char* filename,	149✔
91	openmc::span<CollisionTrackSite> collision_track_bank,
92	const openmc::vector<int64_t>& bank_index)
93	{
94	#ifdef PHDF5
95	bool parallel = true;	72✔
96	#else
97	bool parallel = false;	77✔
98	#endif
99
100	if (!filename)	149!
101	fatal_error("write_h5_collision_track filename needs a nonempty name.");	×
102
103	std::string filename_(filename);	149✔
104	const auto extension = get_file_extension(filename_);	149✔
105	if (extension.empty()) {	149!
106	filename_.append(".h5");	×
107	} else if (extension != "h5") {	149!
108	warning("write_h5_collision_track was passed a file extension differing "	×
109	"from .h5, but an hdf5 file will be written.");
110	}
111
112	hid_t file_id;	149✔
113	if (mpi::master \|\| parallel) {	149!
114	file_id = file_open(filename_.c_str(), 'w', true);	149✔
115
116	// Write filetype and version info
117	write_attribute(file_id, "filetype", "collision_track");	149✔
118	write_attribute(file_id, "version", VERSION_COLLISION_TRACK);	149✔
119	}
120
121	write_collision_track_bank(file_id, collision_track_bank, bank_index);	149✔
122
123	if (mpi::master \|\| parallel)	149!
124	file_close(file_id);	149✔
125	}	149✔
126
127	} // namespace
128
129	bool should_record_event(int id_cell, int mt_event, const std::string& nuclide,	728,673✔
130	int id_universe, int id_material, double energy_loss)
131	{
132	auto matches_filter = [](const auto& filter_set, const auto& value) {	97,872✔
133	return filter_set.empty() \|\| filter_set.count(value) > 0;	128,749✔
134	};
135
136	const auto& cfg = settings::collision_track_config;	728,673✔
137	return simulation::current_batch > settings::n_inactive &&	1,368,103✔
138	!simulation::collision_track_bank.full() &&	639,430✔
139	matches_filter(cfg.cell_ids, id_cell) &&	26,885✔
140	matches_filter(cfg.mt_numbers, mt_event) &&	20,714✔
141	matches_filter(cfg.universe_ids, id_universe) &&	17,568!
142	matches_filter(cfg.material_ids, id_material) &&	32,705✔
143	matches_filter(cfg.nuclides, nuclide) &&	743,810✔
144	(cfg.deposited_energy_threshold == 0 \|\|	12,255✔
145	cfg.deposited_energy_threshold < energy_loss);	728,673✔
146	}
147
148	void collision_track_reserve_bank()	160✔
149	{
150	simulation::collision_track_bank.reserve(	160✔
151	settings::collision_track_config.max_collisions);
152	}	160✔
153
154	void collision_track_flush_bank()	580✔
155	{
156	const auto& cfg = settings::collision_track_config;	580✔
157	if (simulation::ct_current_file > cfg.max_files)	580!
158	return;	420✔
159
160	bool last_batch = (simulation::current_batch == settings::n_batches);	580✔
161	if (!simulation::collision_track_bank.full() && !last_batch)	580✔
162	return;
163
164	auto size = simulation::collision_track_bank.size();	160✔
165	if (size == 0 && !last_batch)	160!
166	return;
167
168	auto collision_track_work_index = mpi::calculate_parallel_index_vector(size);	160✔
169	openmc::span<CollisionTrackSite> collisiontrackbankspan(	160✔
170	simulation::collision_track_bank.begin(), size);	160✔
171
172	std::string ext = cfg.mcpl_write ? "mcpl" : "h5";	309✔
173	auto filename = fmt::format("{}collision_track.{}.{}", settings::path_output,	160✔
174	simulation::ct_current_file, ext);	160✔
175
176	if (cfg.max_files == 1 \|\| (simulation::ct_current_file == 1 && last_batch)) {	160!
177	filename = settings::path_output + "collision_track." + ext;	160✔
178	}
179	write_message("Creating {}...", filename, 4);	160✔
180
181	if (cfg.mcpl_write) {	160✔
182	write_mcpl_collision_track(	11✔
183	filename.c_str(), collisiontrackbankspan, collision_track_work_index);
184	} else {
185	write_h5_collision_track(	149✔
186	filename.c_str(), collisiontrackbankspan, collision_track_work_index);
187	}
188
189	simulation::collision_track_bank.clear();	160✔
190	if (!last_batch && cfg.max_files >= 1) {	160!
UNCOV 191	collision_track_reserve_bank();	×
192	}
193	++simulation::ct_current_file;	160✔
194	}	160✔
195
196	void collision_track_record(Particle& particle)	728,673✔
197	{
198	int cell_index = particle.lowest_coord().cell();	728,673!
199	if (cell_index == C_NONE)	728,673!
200	return;	720,092✔
201
202	int cell_id = model::cells[cell_index]->id_;	728,673✔
203	std::string nuclide {};	728,673✔
204	int nuclide_id = 0;	728,673✔
205	if (particle.event_nuclide() != NUCLIDE_NONE) {	728,673✔
206	const auto* nuclide_ptr = data::nuclides[particle.event_nuclide()].get();	727,991✔
207	nuclide = nuclide_ptr->name_;	727,991✔
208	nuclide_id = nuclide_ptr->particle_type().pdg_number();	727,991✔
209	}
210	int universe_id = model::universes[particle.lowest_coord().universe()]->id_;	728,673!
211	double delta_E = particle.E_last() - particle.E();	728,673✔
212	int material_index = particle.material();	728,673✔
213	if (material_index == C_NONE)	728,673!
214	return;
215
216	int material_id = model::materials[material_index]->id_;	728,673✔
217
218	if (!should_record_event(cell_id, particle.event_mt(), nuclide, universe_id,	728,673✔
219	material_id, delta_E))
220	return;
221
222	CollisionTrackSite site;	8,581✔
223	site.r = particle.r();	8,581✔
224	site.u = particle.u();	8,581✔
225	site.E = particle.E_last();	8,581✔
226	site.dE = delta_E;	8,581✔
227	site.time = particle.time();	8,581✔
228	site.wgt = particle.wgt();	8,581✔
229	site.event_mt = particle.event_mt();	8,581✔
230	site.delayed_group = particle.delayed_group();	8,581✔
231	site.cell_id = cell_id;	8,581✔
232	site.nuclide_id = nuclide_id;	8,581✔
233	site.material_id = material_id;	8,581✔
234	site.universe_id = universe_id;	8,581✔
235	site.n_collision = particle.n_collision();	8,581✔
236	site.particle = particle.type();	8,581✔
237	site.parent_id = particle.id();	8,581✔
238	site.progeny_id = particle.n_progeny();	8,581✔
239	simulation::collision_track_bank.thread_safe_append(site);	8,581✔
240	}	728,673✔
241
242	} // namespace openmc

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