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openmc-dev / openmc / 28819286649

06 Jul 2026 07:57PM UTC coverage: 81.26% (-0.03%) from 81.289%
28819286649

Pull #3998

github

web-flow
Merge 9239c236e into 0c6b3fb83
Pull Request #3998: Tracks to vtk Function for Lost Particles

18189 of 26398 branches covered (68.9%)

Branch coverage included in aggregate %.

3 of 40 new or added lines in 1 file covered. (7.5%)

138 existing lines in 6 files now uncovered.

59396 of 69079 relevant lines covered (85.98%)

48606606.3 hits per line

Source File
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83.5
/src/geometry.cpp
1
#include "openmc/geometry.h"
2

3
#include <fmt/core.h>
4
#include <fmt/ostream.h>
5

6
#include "openmc/array.h"
7
#include "openmc/cell.h"
8
#include "openmc/constants.h"
9
#include "openmc/error.h"
10
#include "openmc/lattice.h"
11
#include "openmc/settings.h"
12
#include "openmc/simulation.h"
13
#include "openmc/string_utils.h"
14
#include "openmc/surface.h"
15

16
namespace openmc {
17

18
//==============================================================================
19
// Global variables
20
//==============================================================================
21

22
namespace model {
23

24
int root_universe {-1};
25
int n_coord_levels;
26

27
vector<int64_t> overlap_check_count;
28

29
vector<OverlapKey> overlap_keys;
30
std::unordered_map<OverlapKey, int, OverlapKeyHash> overlap_key_index;
31

32
} // namespace model
33

34
//==============================================================================
35
// Non-member functions
36
//==============================================================================
37

38
int check_cell_overlap(GeometryState& p, bool error)
1,442,100✔
39
{
40
  int n_coord = p.n_coord();
1,442,100✔
41

42
  // If no overlap found, return a nonphysical index
43
  int overlap_index = -1;
1,442,100✔
44

45
  // Loop through each coordinate level
46
  for (int j = 0; j < n_coord; j++) {
2,884,200✔
47
    Universe& univ = *model::universes[p.coord(j).universe()];
1,442,100✔
48

49
    // Loop through each cell on this level
50
    for (auto index_cell : univ.cells_) {
4,968,568✔
51
      Cell& c = *model::cells[index_cell];
3,920,488✔
52
      if (c.contains(p.coord(j).r(), p.coord(j).u(), p.surface())) {
3,920,488✔
53
#pragma omp atomic
759,036✔
54
        ++model::overlap_check_count[index_cell];
1,391,566✔
55
        if (index_cell != p.coord(j).cell()) {
1,391,566✔
56
          if (error) {
394,020!
UNCOV
57
            fatal_error(
×
UNCOV
58
              fmt::format("Overlapping cells detected: {}, {} on universe {}",
×
UNCOV
59
                c.id_, model::cells[p.coord(j).cell()]->id_, univ.id_));
×
60
          }
61

62
          // With no fatal error (plotter is calling), now adds overlaps and
63
          // ensures order does not matter when making overlap key
64
          int cell_a = model::cells[index_cell]->id_;
394,020!
65
          int cell_b = model::cells[p.coord(j).cell()]->id_;
394,020!
66
          int a = std::min(cell_a, cell_b);
394,020!
67
          int b = std::max(cell_a, cell_b);
394,020!
68
          OverlapKey key {univ.id_, a, b};
394,020✔
69
#pragma omp critical(overlap_key_update)
429,840✔
70
          {
394,020✔
71
            auto it = model::overlap_key_index.find(key);
394,020✔
72
            if (it != model::overlap_key_index.end()) {
394,020✔
73
              overlap_index = it->second; // already exists, reuse index
393,965✔
74
            } else {
75
              int idx = int(model::overlap_keys.size());
55✔
76
              model::overlap_keys.push_back(key);
55✔
77
              model::overlap_key_index[key] = idx;
55✔
78
              overlap_index = idx;
55✔
79
            }
80
          }
81
          break;
394,020✔
82
        }
83
      }
84
    }
85
  }
86
  return overlap_index;
1,442,100✔
87
}
88

89
//==============================================================================
90

91
int cell_instance_at_level(const GeometryState& p, int level)
2,147,483,647✔
92
{
93
  // throw error if the requested level is too deep for the geometry
94
  if (level > model::n_coord_levels) {
2,147,483,647!
UNCOV
95
    fatal_error(fmt::format("Cell instance at level {} requested, but only {} "
×
96
                            "levels exist in the geometry.",
97
      level, p.n_coord()));
98
  }
99

100
  // determine the cell instance
101
  Cell& c {*model::cells[p.coord(level).cell()]};
2,147,483,647!
102

103
  // quick exit if this cell doesn't have distribcell instances
104
  if (c.distribcell_index_ == C_NONE)
2,147,483,647!
105
    return C_NONE;
106

107
  // compute the cell's instance
108
  int instance = 0;
109
  for (int i = 0; i < level; i++) {
2,147,483,647✔
110
    const auto& c_i {*model::cells[p.coord(i).cell()]};
2,147,483,647✔
111
    if (c_i.type_ == Fill::UNIVERSE) {
2,147,483,647✔
112
      instance += c_i.offset_[c.distribcell_index_];
1,890,444,654✔
113
    } else if (c_i.type_ == Fill::LATTICE) {
1,299,917,330!
114
      instance += c_i.offset_[c.distribcell_index_];
1,299,917,330✔
115
      auto& lat {*model::lattices[p.coord(i + 1).lattice()]};
1,299,917,330✔
116
      const auto& i_xyz {p.coord(i + 1).lattice_index()};
1,299,917,330✔
117
      if (lat.are_valid_indices(i_xyz)) {
1,299,917,330✔
118
        instance += lat.offset(c.distribcell_index_, i_xyz);
1,295,033,363✔
119
      }
120
    }
121
  }
122
  return instance;
123
}
124

125
//==============================================================================
126

127
bool find_cell_inner(
2,147,483,647✔
128
  GeometryState& p, const NeighborList* neighbor_list, bool verbose)
129
{
130
  // Find which cell of this universe the particle is in.  Use the neighbor list
131
  // to shorten the search if one was provided.
132
  bool found = false;
2,147,483,647✔
133
  int32_t i_cell = C_NONE;
2,147,483,647✔
134
  if (neighbor_list) {
2,147,483,647✔
135
    for (auto it = neighbor_list->cbegin(); it != neighbor_list->cend(); ++it) {
2,147,483,647✔
136
      i_cell = *it;
2,147,483,647!
137

138
      // Make sure the search cell is in the same universe.
139
      int i_universe = p.lowest_coord().universe();
2,147,483,647!
140
      if (model::cells[i_cell]->universe_ != i_universe)
2,147,483,647!
UNCOV
141
        continue;
×
142

143
      // Check if this cell contains the particle.
144
      Position r {p.r_local()};
2,147,483,647✔
145
      Direction u {p.u_local()};
2,147,483,647✔
146
      auto surf = p.surface();
2,147,483,647✔
147
      if (model::cells[i_cell]->contains(r, u, surf)) {
2,147,483,647✔
148
        p.lowest_coord().cell() = i_cell;
2,147,483,647✔
149
        found = true;
2,147,483,647✔
150
        break;
2,147,483,647✔
151
      }
152
    }
153

154
    // If we're attempting a neighbor list search and fail, we
155
    // now know we should return false. This will trigger an
156
    // exhaustive search from neighbor_list_find_cell and make
157
    // the result from that be appended to the neighbor list.
158
    if (!found) {
2,147,483,647✔
159
      return found;
160
    }
161
  }
162

163
  // Check successively lower coordinate levels until finding material fill
164
  for (;; ++p.n_coord()) {
2,147,483,647✔
165
    // If we did not attempt to use neighbor lists, i_cell is still C_NONE.  In
166
    // that case, we should now do an exhaustive search to find the right value
167
    // of i_cell.
168
    //
169
    // Alternatively, neighbor list searches could have succeeded, but we found
170
    // that the fill of the neighbor cell was another universe. As such, in the
171
    // code below this conditional, we set i_cell back to C_NONE to indicate
172
    // that.
173
    if (i_cell == C_NONE) {
2,147,483,647✔
174
      int i_universe = p.lowest_coord().universe();
2,147,483,647✔
175
      const auto& univ {model::universes[i_universe]};
2,147,483,647✔
176
      found = univ->find_cell(p);
2,147,483,647✔
177
    }
178

179
    if (!found) {
2,147,483,647✔
180
      return found;
181
    }
182
    i_cell = p.lowest_coord().cell();
2,147,483,647!
183

184
    // Announce the cell that the particle is entering.
185
    if (found && verbose) {
2,147,483,647!
UNCOV
186
      auto msg = fmt::format("    Entering cell {}", model::cells[i_cell]->id_);
×
UNCOV
187
      write_message(msg, 1);
×
UNCOV
188
    }
×
189

190
    Cell& c {*model::cells[i_cell]};
2,147,483,647✔
191
    if (c.type_ == Fill::MATERIAL) {
2,147,483,647✔
192
      // Found a material cell which means this is the lowest coord level.
193

194
      p.cell_instance() = 0;
2,147,483,647✔
195
      // Find the distribcell instance number.
196
      if (c.distribcell_index_ >= 0) {
2,147,483,647✔
197
        p.cell_instance() = cell_instance_at_level(p, p.n_coord() - 1);
2,147,483,647✔
198
      }
199

200
      // Set the material, temperature and density multiplier.
201
      p.material_last() = p.material();
2,147,483,647✔
202
      p.material() = c.material(p.cell_instance());
2,147,483,647✔
203
      p.sqrtkT_last() = p.sqrtkT();
2,147,483,647✔
204
      p.sqrtkT() = c.sqrtkT(p.cell_instance());
2,147,483,647✔
205
      p.density_mult_last() = p.density_mult();
2,147,483,647✔
206
      p.density_mult() = c.density_mult(p.cell_instance());
2,147,483,647✔
207

208
      return true;
2,147,483,647✔
209

210
    } else if (c.type_ == Fill::UNIVERSE) {
1,154,034,498✔
211
      //========================================================================
212
      //! Found a lower universe, update this coord level then search the next.
213

214
      // Set the lower coordinate level universe.
215
      auto& coord {p.coord(p.n_coord())};
1,001,660,078✔
216
      coord.universe() = c.fill_;
1,001,660,078✔
217

218
      // Set the position and direction.
219
      coord.r() = p.r_local();
1,001,660,078✔
220
      coord.u() = p.u_local();
1,001,660,078✔
221

222
      // Apply translation.
223
      coord.r() -= c.translation_;
1,001,660,078✔
224

225
      // Apply rotation.
226
      if (!c.rotation_.empty()) {
1,001,660,078✔
227
        coord.rotate(c.rotation_);
66,157,597✔
228
      }
229

230
    } else if (c.type_ == Fill::LATTICE) {
152,374,420!
231
      //========================================================================
232
      //! Found a lower lattice, update this coord level then search the next.
233

234
      Lattice& lat {*model::lattices[c.fill_]};
152,374,420✔
235

236
      // Set the position and direction.
237
      auto& coord {p.coord(p.n_coord())};
152,374,420✔
238
      coord.r() = p.r_local();
152,374,420✔
239
      coord.u() = p.u_local();
152,374,420✔
240

241
      // Apply translation.
242
      coord.r() -= c.translation_;
152,374,420✔
243

244
      // Apply rotation.
245
      if (!c.rotation_.empty()) {
152,374,420✔
246
        coord.rotate(c.rotation_);
358,336✔
247
      }
248

249
      // Determine lattice indices.
250
      auto& i_xyz {coord.lattice_index()};
152,374,420✔
251
      lat.get_indices(coord.r(), coord.u(), i_xyz);
152,374,420✔
252

253
      // Get local position in appropriate lattice cell
254
      coord.r() = lat.get_local_position(coord.r(), i_xyz);
152,374,420✔
255

256
      // Set lattice indices.
257
      coord.lattice() = c.fill_;
152,374,420✔
258

259
      // Set the lower coordinate level universe.
260
      if (lat.are_valid_indices(i_xyz)) {
152,374,420✔
261
        coord.universe() = lat[i_xyz];
147,490,453✔
262
      } else {
263
        if (lat.outer_ != NO_OUTER_UNIVERSE) {
4,883,967!
264
          coord.universe() = lat.outer_;
4,883,967✔
265
        } else {
UNCOV
266
          p.mark_as_lost(fmt::format(
×
267
            "Particle {} left lattice {}, but it has no outer definition.",
UNCOV
268
            p.id(), lat.id_));
×
269
        }
270
      }
271
    }
272
    i_cell = C_NONE; // trip non-neighbor cell search at next iteration
1,154,034,498✔
273
    found = false;
1,154,034,498✔
274
  }
275

276
  return found;
277
}
278

279
//==============================================================================
280

281
bool neighbor_list_find_cell(GeometryState& p, bool verbose)
2,147,483,647✔
282
{
283

284
  // Reset all the deeper coordinate levels.
285
  for (int i = p.n_coord(); i < model::n_coord_levels; i++) {
2,147,483,647✔
286
    p.coord(i).reset();
1,923,259,196✔
287
  }
288

289
  // Get the cell this particle was in previously.
290
  auto coord_lvl = p.n_coord() - 1;
2,147,483,647✔
291
  auto i_cell = p.coord(coord_lvl).cell();
2,147,483,647✔
292
  Cell& c {*model::cells[i_cell]};
2,147,483,647✔
293

294
  // Search for the particle in that cell's neighbor list.  Return if we
295
  // found the particle.
296
  bool found = find_cell_inner(p, &c.neighbors_, verbose);
2,147,483,647✔
297
  if (found)
2,147,483,647✔
298
    return found;
299

300
  // The particle could not be found in the neighbor list.  Try searching all
301
  // cells in this universe, and update the neighbor list if we find a new
302
  // neighboring cell.
303
  found = find_cell_inner(p, nullptr, verbose);
1,602,605✔
304
  if (found)
1,602,605✔
305
    c.neighbors_.push_back(p.coord(coord_lvl).cell());
30,868✔
306
  return found;
307
}
308

309
bool exhaustive_find_cell(GeometryState& p, bool verbose)
1,373,993,853✔
310
{
311
  int i_universe = p.lowest_coord().universe();
1,373,993,853✔
312
  if (i_universe == C_NONE) {
1,373,993,853✔
313
    p.coord(0).universe() = model::root_universe;
352,387,463✔
314
    p.n_coord() = 1;
352,387,463✔
315
    i_universe = model::root_universe;
352,387,463✔
316
  }
317
  // Reset all the deeper coordinate levels.
318
  for (int i = p.n_coord(); i < model::n_coord_levels; i++) {
1,462,043,297✔
319
    p.coord(i).reset();
88,049,444✔
320
  }
321
  return find_cell_inner(p, nullptr, verbose);
1,373,993,853✔
322
}
323

324
//==============================================================================
325

326
void cross_lattice(GeometryState& p, const BoundaryInfo& boundary, bool verbose)
801,517,786✔
327
{
328
  auto& coord {p.lowest_coord()};
801,517,786!
329
  auto& lat {*model::lattices[coord.lattice()]};
801,517,786!
330

331
  if (verbose) {
801,517,786!
UNCOV
332
    write_message(
×
UNCOV
333
      fmt::format("    Crossing lattice {}. Current position ({},{},{}). r={}",
×
UNCOV
334
        lat.id_, coord.lattice_index()[0], coord.lattice_index()[1],
×
335
        coord.lattice_index()[2], p.r()),
×
336
      1);
337
  }
338

339
  // Set the lattice indices.
340
  coord.lattice_index()[0] += boundary.lattice_translation()[0];
801,517,786✔
341
  coord.lattice_index()[1] += boundary.lattice_translation()[1];
801,517,786✔
342
  coord.lattice_index()[2] += boundary.lattice_translation()[2];
801,517,786✔
343

344
  // Set the new coordinate position.
345
  const auto& upper_coord {p.coord(p.n_coord() - 2)};
801,517,786✔
346
  const auto& cell {model::cells[upper_coord.cell()]};
801,517,786✔
347
  Position r = upper_coord.r();
801,517,786✔
348
  r -= cell->translation_;
801,517,786✔
349
  if (!cell->rotation_.empty()) {
801,517,786✔
350
    r = r.rotate(cell->rotation_);
471,647✔
351
  }
352
  p.r_local() = lat.get_local_position(r, coord.lattice_index());
801,517,786✔
353

354
  if (!lat.are_valid_indices(coord.lattice_index())) {
801,517,786✔
355
    // The particle is outside the lattice.  Search for it from the base coords.
356
    p.n_coord() = 1;
3,714,425✔
357
    bool found = exhaustive_find_cell(p);
3,714,425✔
358

359
    if (!found) {
3,714,425!
UNCOV
360
      p.mark_as_lost(fmt::format("Particle {} could not be located after "
×
361
                                 "crossing a boundary of lattice {}",
UNCOV
362
        p.id(), lat.id_));
×
363
    }
364

365
  } else {
366
    // Find cell in next lattice element.
367
    p.lowest_coord().universe() = lat[coord.lattice_index()];
797,803,361✔
368
    bool found = exhaustive_find_cell(p);
797,803,361✔
369

370
    if (!found) {
797,803,361!
371
      // A particle crossing the corner of a lattice tile may not be found.  In
372
      // this case, search for it from the base coords.
UNCOV
373
      p.n_coord() = 1;
×
UNCOV
374
      bool found = exhaustive_find_cell(p);
×
UNCOV
375
      if (!found) {
×
UNCOV
376
        p.mark_as_lost(fmt::format("Particle {} could not be located after "
×
377
                                   "crossing a boundary of lattice {}",
UNCOV
378
          p.id(), lat.id_));
×
379
      }
380
    }
381
  }
382
}
801,517,786✔
383

384
//==============================================================================
385

386
BoundaryInfo distance_to_boundary(GeometryState& p)
2,147,483,647✔
387
{
388
  BoundaryInfo info;
2,147,483,647✔
389
  double d_lat = INFINITY;
2,147,483,647✔
390
  double d_surf = INFINITY;
2,147,483,647✔
391
  int32_t level_surf_cross;
2,147,483,647✔
392
  array<int, 3> level_lat_trans {};
2,147,483,647✔
393

394
  // Loop over each coordinate level.
395
  for (int i = 0; i < p.n_coord(); i++) {
2,147,483,647✔
396
    const auto& coord {p.coord(i)};
2,147,483,647✔
397
    const Position& r {coord.r()};
2,147,483,647✔
398
    const Direction& u {coord.u()};
2,147,483,647✔
399
    Cell& c {*model::cells[coord.cell()]};
2,147,483,647✔
400

401
    // Find the oncoming surface in this cell and the distance to it.
402
    auto surface_distance = c.distance(r, u, p.surface(), &p);
2,147,483,647✔
403
    d_surf = surface_distance.first;
2,147,483,647✔
404
    level_surf_cross = surface_distance.second;
2,147,483,647✔
405

406
    // Find the distance to the next lattice tile crossing.
407
    if (coord.lattice() != C_NONE) {
2,147,483,647✔
408
      auto& lat {*model::lattices[coord.lattice()]};
1,386,026,064!
409
      // TODO: refactor so both lattice use the same position argument (which
410
      // also means the lat.type attribute can be removed)
411
      std::pair<double, array<int, 3>> lattice_distance;
1,386,026,064✔
412
      switch (lat.type_) {
1,386,026,064!
413
      case LatticeType::rect:
1,300,522,767✔
414
        lattice_distance = lat.distance(r, u, coord.lattice_index());
1,300,522,767✔
415
        break;
1,300,522,767✔
416
      case LatticeType::hex:
85,503,297✔
417
        auto& cell_above {model::cells[p.coord(i - 1).cell()]};
85,503,297✔
418
        Position r_hex {p.coord(i - 1).r()};
85,503,297✔
419
        r_hex -= cell_above->translation_;
85,503,297✔
420
        if (coord.rotated()) {
85,503,297✔
421
          r_hex = r_hex.rotate(cell_above->rotation_);
701,954✔
422
        }
423
        r_hex.z = coord.r().z;
85,503,297✔
424
        lattice_distance = lat.distance(r_hex, u, coord.lattice_index());
85,503,297✔
425
        break;
85,503,297✔
426
      }
427
      d_lat = lattice_distance.first;
1,386,026,064✔
428
      level_lat_trans = lattice_distance.second;
1,386,026,064✔
429

430
      if (d_lat < 0) {
1,386,026,064!
UNCOV
431
        p.mark_as_lost(fmt::format("Particle {} had a negative distance "
×
432
                                   "to a lattice boundary.",
UNCOV
433
          p.id()));
×
434
      }
435
    }
436

437
    // If the boundary on this coordinate level is coincident with a boundary on
438
    // a higher level then we need to make sure that the higher level boundary
439
    // is selected.  This logic must consider floating point precision.
440
    double& d = info.distance();
2,147,483,647✔
441
    if (d_surf < d_lat - FP_COINCIDENT) {
2,147,483,647✔
442
      if (d == INFINITY || (d - d_surf) / d >= FP_REL_PRECISION) {
2,147,483,647✔
443
        // Update closest distance
444
        d = d_surf;
2,147,483,647✔
445

446
        // If the cell is not simple, it is possible that both the negative and
447
        // positive half-space were given in the region specification. Thus, we
448
        // have to explicitly check which half-space the particle would be
449
        // traveling into if the surface is crossed
450
        if (c.is_simple() || d == INFTY) {
2,147,483,647✔
451
          info.surface() = level_surf_cross;
2,147,483,647✔
452
        } else {
453
          Position r_hit = r + d_surf * u;
22,141,426✔
454
          Surface& surf {*model::surfaces[std::abs(level_surf_cross) - 1]};
22,141,426✔
455
          Direction norm = surf.normal(r_hit);
22,141,426✔
456
          if (u.dot(norm) > 0) {
22,141,426✔
457
            info.surface() = std::abs(level_surf_cross);
11,069,060✔
458
          } else {
459
            info.surface() = -std::abs(level_surf_cross);
11,072,366✔
460
          }
461
        }
462

463
        info.lattice_translation()[0] = 0;
2,147,483,647✔
464
        info.lattice_translation()[1] = 0;
2,147,483,647✔
465
        info.lattice_translation()[2] = 0;
2,147,483,647✔
466
        info.coord_level() = i + 1;
2,147,483,647✔
467
      }
468
    } else {
469
      if (d == INFINITY || (d - d_lat) / d >= FP_REL_PRECISION) {
1,151,490,084!
470
        d = d_lat;
942,562,620✔
471
        info.surface() = SURFACE_NONE;
942,562,620✔
472
        info.lattice_translation() = level_lat_trans;
942,562,620✔
473
        info.coord_level() = i + 1;
942,562,620✔
474
      }
475
    }
476
  }
477
  return info;
2,147,483,647✔
478
}
479

480
//==============================================================================
481
// C API
482
//==============================================================================
483

484
extern "C" int openmc_find_cell(
600,308✔
485
  const double* xyz, int32_t* index, int32_t* instance)
486
{
487
  GeometryState geom_state;
600,308✔
488

489
  geom_state.r() = Position {xyz};
600,308✔
490
  geom_state.u() = {0.0, 0.0, 1.0};
600,308✔
491

492
  if (!exhaustive_find_cell(geom_state)) {
600,308✔
493
    set_errmsg(
11✔
494
      fmt::format("Could not find cell at position {}.", geom_state.r()));
11✔
495
    return OPENMC_E_GEOMETRY;
11✔
496
  }
497

498
  *index = geom_state.lowest_coord().cell();
600,297✔
499
  *instance = geom_state.cell_instance();
600,297✔
500
  return 0;
600,297✔
501
}
600,308✔
502

503
extern "C" int openmc_global_bounding_box(double* llc, double* urc)
11✔
504
{
505
  auto bbox = model::universes.at(model::root_universe)->bounding_box();
11✔
506

507
  // set lower left corner values
508
  llc[0] = bbox.min.x;
11✔
509
  llc[1] = bbox.min.y;
11✔
510
  llc[2] = bbox.min.z;
11✔
511

512
  // set upper right corner values
513
  urc[0] = bbox.max.x;
11✔
514
  urc[1] = bbox.max.y;
11✔
515
  urc[2] = bbox.max.z;
11✔
516

517
  return 0;
11✔
518
}
519

520
} // namespace openmc
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