20749780992

Committed 06 Jan 2026 01:29PM UTC coverage: 82.195% (+0.04%) from 82.156%

Build # 20749780992

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Commit Message

Fix a bug in rotational periodic boundary conditions (#3692)

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

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76.95

/src/boundary_condition.cpp

#include "openmc/boundary_condition.h"

#include <exception>

#include <fmt/core.h>

#include "openmc/constants.h"
#include "openmc/error.h"
#include "openmc/random_ray/random_ray.h"
#include "openmc/surface.h"

namespace openmc {

//==============================================================================
// VacuumBC implementation
//==============================================================================

void VacuumBC::handle_particle(Particle& p, const Surface& surf) const
{
  // Random ray and Monte Carlo need different treatments at vacuum BCs
  if (settings::solver_type == SolverType::RANDOM_RAY) {
    // Reflect ray off of the surface
    ReflectiveBC().handle_particle(p, surf);

    // Set ray's angular flux spectrum to vacuum conditions (zero)
    RandomRay* r = static_cast<RandomRay*>(&p);
    std::fill(r->angular_flux_.begin(), r->angular_flux_.end(), 0.0);

  } else {
    p.cross_vacuum_bc(surf);
  }
}

//==============================================================================
// ReflectiveBC implementation
//==============================================================================

void ReflectiveBC::handle_particle(Particle& p, const Surface& surf) const
{
  Direction u = surf.reflect(p.r(), p.u(), &p);
  u /= u.norm();

  // Handle the effects of the surface albedo on the particle's weight.
  BoundaryCondition::handle_albedo(p, surf);

  p.cross_reflective_bc(surf, u);
}

//==============================================================================
// WhiteBC implementation
//==============================================================================

void WhiteBC::handle_particle(Particle& p, const Surface& surf) const
{
  Direction u = surf.diffuse_reflect(p.r(), p.u(), p.current_seed());
  u /= u.norm();

  // Handle the effects of the surface albedo on the particle's weight.
  BoundaryCondition::handle_albedo(p, surf);

  p.cross_reflective_bc(surf, u);
}

//==============================================================================
// TranslationalPeriodicBC implementation
//==============================================================================

TranslationalPeriodicBC::TranslationalPeriodicBC(int i_surf, int j_surf)
  : PeriodicBC(i_surf, j_surf)
{
  Surface& surf1 {*model::surfaces[i_surf_]};
  Surface& surf2 {*model::surfaces[j_surf_]};

  // Make sure the first surface has an appropriate type.
  if (const auto* ptr = dynamic_cast<const SurfaceXPlane*>(&surf1)) {
  } else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf1)) {
  } else if (const auto* ptr = dynamic_cast<const SurfaceZPlane*>(&surf1)) {
  } else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf1)) {
  } else {
    throw std::invalid_argument(fmt::format(
      "Surface {} is an invalid type for "
      "translational periodic BCs. Only planes are supported for these BCs.",
      surf1.id_));
  }

  // Make sure the second surface has an appropriate type.
  if (const auto* ptr = dynamic_cast<const SurfaceXPlane*>(&surf2)) {
  } else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf2)) {
  } else if (const auto* ptr = dynamic_cast<const SurfaceZPlane*>(&surf2)) {
  } else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf2)) {
  } else {
    throw std::invalid_argument(fmt::format(
      "Surface {} is an invalid type for "
      "translational periodic BCs. Only planes are supported for these BCs.",
      surf2.id_));
  }

  // Compute the distance from the first surface to the origin.  Check the
  // surface evaluate function to decide if the distance is positive, negative,
  // or zero.
  Position origin {0, 0, 0};
  Direction u = surf1.normal(origin);
  double d1;
  double e1 = surf1.evaluate(origin);
  if (e1 > FP_COINCIDENT) {
    d1 = -surf1.distance(origin, -u, false);
  } else if (e1 < -FP_COINCIDENT) {
    d1 = surf1.distance(origin, u, false);
  } else {
    d1 = 0.0;
  }

  // Compute the distance from the second surface to the origin.
  double d2;
  double e2 = surf2.evaluate(origin);
  if (e2 > FP_COINCIDENT) {
    d2 = -surf2.distance(origin, -u, false);
  } else if (e2 < -FP_COINCIDENT) {
    d2 = surf2.distance(origin, u, false);
  } else {
    d2 = 0.0;
  }

  // Set the translation vector; it's length is the difference in the two
  // distances.
  translation_ = u * (d2 - d1);
}

void TranslationalPeriodicBC::handle_particle(
  Particle& p, const Surface& surf) const
{
  int i_particle_surf = p.surface_index();

  // Figure out which of the two BC surfaces were struck then find the
  // particle's new location and surface.
  Position new_r;
  int new_surface;
  if (i_particle_surf == i_surf_) {
    new_r = p.r() + translation_;
    new_surface = p.surface() > 0 ? j_surf_ + 1 : -(j_surf_ + 1);
  } else if (i_particle_surf == j_surf_) {
    new_r = p.r() - translation_;
    new_surface = p.surface() > 0 ? i_surf_ + 1 : -(i_surf_ + 1);
  } else {
    throw std::runtime_error(
      "Called BoundaryCondition::handle_particle after "
      "hitting a surface, but that surface is not recognized by the BC.");
  }

  // Handle the effects of the surface albedo on the particle's weight.
  BoundaryCondition::handle_albedo(p, surf);

  // Pass the new location and surface to the particle.
  p.cross_periodic_bc(surf, new_r, p.u(), new_surface);
}

//==============================================================================
// RotationalPeriodicBC implementation
//==============================================================================

RotationalPeriodicBC::RotationalPeriodicBC(
  int i_surf, int j_surf, PeriodicAxis axis)
  : PeriodicBC(std::abs(i_surf) - 1, std::abs(j_surf) - 1)
{
  Surface& surf1 {*model::surfaces[i_surf_]};
  Surface& surf2 {*model::surfaces[j_surf_]};

  // below convention for right handed coordinate system
  switch (axis) {
  case x:
    zero_axis_idx_ = 0; // x component of plane must be zero
    axis_1_idx_ = 1;    // y component independent
    axis_2_idx_ = 2;    // z component dependent
    break;
  case y:
    zero_axis_idx_ = 1; // y component of plane must be zero
    axis_1_idx_ = 2;    // z component independent
    axis_2_idx_ = 0;    // x component dependent
    break;
  case z:
    zero_axis_idx_ = 2; // z component of plane must be zero
    axis_1_idx_ = 0;    // x component independent
    axis_2_idx_ = 1;    // y component dependent
    break;
  default:
    throw std::invalid_argument(
      fmt::format("You've specified an axis that is not x, y, or z."));
  }

  Direction ax = {0.0, 0.0, 0.0};
  ax[zero_axis_idx_] = 1.0;

  auto i_sign = std::copysign(1, i_surf);
  auto j_sign = -std::copysign(1, j_surf);

  // Compute the surface normal vectors and make sure they are perpendicular
  // to the correct axis
  Direction norm1 = i_sign * surf1.normal({0, 0, 0});
  Direction norm2 = j_sign * surf2.normal({0, 0, 0});
  // Make sure both surfaces intersect the origin
  if (std::abs(surf1.evaluate({0, 0, 0})) > FP_COINCIDENT) {
    throw std::invalid_argument(fmt::format(
      "Rotational periodic BCs are only "
      "supported for rotations about the origin, but surface {} does not "
      "intersect the origin.",
      surf1.id_));
  }
  if (std::abs(surf2.evaluate({0, 0, 0})) > FP_COINCIDENT) {
    throw std::invalid_argument(fmt::format(
      "Rotational periodic BCs are only "
      "supported for rotations about the origin, but surface {} does not "
      "intersect the origin.",
      surf2.id_));
  }

  // Compute the signed rotation angle about the periodic axis. Note that
  // (n1×n2)·a = |n1||n2|sin(θ) and n1·n2 = |n1||n2|cos(θ), where a is the axis
  // of rotation.
  auto c = norm1.cross(norm2);
  angle_ = std::atan2(c.dot(ax), norm1.dot(norm2));

  // If the normals point in the same general direction, the surface sense
  // should change when crossing the boundary
  flip_sense_ = (i_sign * j_sign > 0.0);

  // Warn the user if the angle does not evenly divide a circle
  double rem = std::abs(std::remainder((2 * PI / angle_), 1.0));
  if (rem > FP_REL_PRECISION && rem < 1 - FP_REL_PRECISION) {
    warning(fmt::format(
      "Rotational periodic BC specified with a rotation "
      "angle of {} degrees which does not evenly divide 360 degrees.",
      angle_ * 180 / PI));
  }
}

void RotationalPeriodicBC::handle_particle(
  Particle& p, const Surface& surf) const
{
  int new_surface = p.surface() > 0 ? -(j_surf_ + 1) : j_surf_ + 1;
  if (flip_sense_)
    new_surface = -new_surface;

  // Rotate the particle's position and direction.
  Position r = p.r();
  Direction u = p.u();
  double cos_theta = std::cos(angle_);
  double sin_theta = std::sin(angle_);

  Position new_r;
  new_r[zero_axis_idx_] = r[zero_axis_idx_];
  new_r[axis_1_idx_] = cos_theta * r[axis_1_idx_] - sin_theta * r[axis_2_idx_];
  new_r[axis_2_idx_] = sin_theta * r[axis_1_idx_] + cos_theta * r[axis_2_idx_];

  Direction new_u;
  new_u[zero_axis_idx_] = u[zero_axis_idx_];
  new_u[axis_1_idx_] = cos_theta * u[axis_1_idx_] - sin_theta * u[axis_2_idx_];
  new_u[axis_2_idx_] = sin_theta * u[axis_1_idx_] + cos_theta * u[axis_2_idx_];

  // Handle the effects of the surface albedo on the particle's weight.
  BoundaryCondition::handle_albedo(p, surf);

  // Pass the new location, direction, and surface to the particle.
  p.cross_periodic_bc(surf, new_r, new_u, new_surface);
}

} // namespace openmc

1	#include "openmc/boundary_condition.h"
2
3	#include <exception>
4
5	#include <fmt/core.h>
6
7	#include "openmc/constants.h"
8	#include "openmc/error.h"
9	#include "openmc/random_ray/random_ray.h"
10	#include "openmc/surface.h"
11
12	namespace openmc {
13
14	//==============================================================================
15	// VacuumBC implementation
16	//==============================================================================
17
18	void VacuumBC::handle_particle(Particle& p, const Surface& surf) const	57,690,197✔
19	{
20	// Random ray and Monte Carlo need different treatments at vacuum BCs
21	if (settings::solver_type == SolverType::RANDOM_RAY) {	57,690,197✔
22	// Reflect ray off of the surface
23	ReflectiveBC().handle_particle(p, surf);	23,673,129✔
24
25	// Set ray's angular flux spectrum to vacuum conditions (zero)
26	RandomRay* r = static_cast<RandomRay*>(&p);	23,673,129✔
27	std::fill(r->angular_flux_.begin(), r->angular_flux_.end(), 0.0);	23,673,129✔
28
29	} else {
30	p.cross_vacuum_bc(surf);	34,017,068✔
31	}
32	}	57,690,197✔
33
34	//==============================================================================
35	// ReflectiveBC implementation
36	//==============================================================================
37
38	void ReflectiveBC::handle_particle(Particle& p, const Surface& surf) const	638,431,299✔
39	{
40	Direction u = surf.reflect(p.r(), p.u(), &p);	638,431,299✔
41	u /= u.norm();	638,431,299✔
42
43	// Handle the effects of the surface albedo on the particle's weight.
44	BoundaryCondition::handle_albedo(p, surf);	638,431,299✔
45
46	p.cross_reflective_bc(surf, u);	638,431,299✔
47	}	638,431,299✔
48
49	//==============================================================================
50	// WhiteBC implementation
51	//==============================================================================
52
53	void WhiteBC::handle_particle(Particle& p, const Surface& surf) const	1,007,149✔
54	{
55	Direction u = surf.diffuse_reflect(p.r(), p.u(), p.current_seed());	1,007,149✔
56	u /= u.norm();	1,007,149✔
57
58	// Handle the effects of the surface albedo on the particle's weight.
59	BoundaryCondition::handle_albedo(p, surf);	1,007,149✔
60
61	p.cross_reflective_bc(surf, u);	1,007,149✔
62	}	1,007,149✔
63
64	//==============================================================================
65	// TranslationalPeriodicBC implementation
66	//==============================================================================
67
68	TranslationalPeriodicBC::TranslationalPeriodicBC(int i_surf, int j_surf)	234✔
69	: PeriodicBC(i_surf, j_surf)	234✔
70	{
71	Surface& surf1 {*model::surfaces[i_surf_]};	234✔
72	Surface& surf2 {*model::surfaces[j_surf_]};	234✔
73
74	// Make sure the first surface has an appropriate type.
75	if (const auto* ptr = dynamic_cast<const SurfaceXPlane*>(&surf1)) {	234!
76	} else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf1)) {	180!
77	} else if (const auto* ptr = dynamic_cast<const SurfaceZPlane*>(&surf1)) {	158!
78	} else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf1)) {	64!
79	} else {
80	throw std::invalid_argument(fmt::format(	×
81	"Surface {} is an invalid type for "
82	"translational periodic BCs. Only planes are supported for these BCs.",
83	surf1.id_));	×
84	}
85
86	// Make sure the second surface has an appropriate type.
87	if (const auto* ptr = dynamic_cast<const SurfaceXPlane*>(&surf2)) {	234!
88	} else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf2)) {	180!
89	} else if (const auto* ptr = dynamic_cast<const SurfaceZPlane*>(&surf2)) {	158!
90	} else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf2)) {	96!
91	} else {
92	throw std::invalid_argument(fmt::format(	×
93	"Surface {} is an invalid type for "
94	"translational periodic BCs. Only planes are supported for these BCs.",
95	surf2.id_));	×
96	}
97
98	// Compute the distance from the first surface to the origin. Check the
99	// surface evaluate function to decide if the distance is positive, negative,
100	// or zero.
101	Position origin {0, 0, 0};	234✔
102	Direction u = surf1.normal(origin);	234✔
103	double d1;
104	double e1 = surf1.evaluate(origin);	234✔
105	if (e1 > FP_COINCIDENT) {	234✔
106	d1 = -surf1.distance(origin, -u, false);	138✔
107	} else if (e1 < -FP_COINCIDENT) {	96!
108	d1 = surf1.distance(origin, u, false);	96✔
109	} else {
110	d1 = 0.0;	×
111	}
112
113	// Compute the distance from the second surface to the origin.
114	double d2;
115	double e2 = surf2.evaluate(origin);	234✔
116	if (e2 > FP_COINCIDENT) {	234✔
117	d2 = -surf2.distance(origin, -u, false);	96✔
118	} else if (e2 < -FP_COINCIDENT) {	138!
119	d2 = surf2.distance(origin, u, false);	138✔
120	} else {
121	d2 = 0.0;	×
122	}
123
124	// Set the translation vector; it's length is the difference in the two
125	// distances.
126	translation_ = u * (d2 - d1);	234✔
127	}	234✔
128
129	void TranslationalPeriodicBC::handle_particle(	296,797✔
130	Particle& p, const Surface& surf) const
131	{
132	int i_particle_surf = p.surface_index();	296,797✔
133
134	// Figure out which of the two BC surfaces were struck then find the
135	// particle's new location and surface.
136	Position new_r;	296,797✔
137	int new_surface;
138	if (i_particle_surf == i_surf_) {	296,797✔
139	new_r = p.r() + translation_;	147,047✔
140	new_surface = p.surface() > 0 ? j_surf_ + 1 : -(j_surf_ + 1);	147,047✔
141	} else if (i_particle_surf == j_surf_) {	149,750!
142	new_r = p.r() - translation_;	149,750✔
143	new_surface = p.surface() > 0 ? i_surf_ + 1 : -(i_surf_ + 1);	149,750✔
144	} else {
145	throw std::runtime_error(	×
146	"Called BoundaryCondition::handle_particle after "
147	"hitting a surface, but that surface is not recognized by the BC.");	×
148	}
149
150	// Handle the effects of the surface albedo on the particle's weight.
151	BoundaryCondition::handle_albedo(p, surf);	296,797✔
152
153	// Pass the new location and surface to the particle.
154	p.cross_periodic_bc(surf, new_r, p.u(), new_surface);	296,797✔
155	}	296,797✔
156
157	//==============================================================================
158	// RotationalPeriodicBC implementation
159	//==============================================================================
160
161	RotationalPeriodicBC::RotationalPeriodicBC(	334✔
162	int i_surf, int j_surf, PeriodicAxis axis)	334✔
163	: PeriodicBC(std::abs(i_surf) - 1, std::abs(j_surf) - 1)	334✔
164	{
165	Surface& surf1 {*model::surfaces[i_surf_]};	334✔
166	Surface& surf2 {*model::surfaces[j_surf_]};	334✔
167
168	// below convention for right handed coordinate system
169	switch (axis) {	334!
170	case x:	32✔
171	zero_axis_idx_ = 0; // x component of plane must be zero	32✔
172	axis_1_idx_ = 1; // y component independent	32✔
173	axis_2_idx_ = 2; // z component dependent	32✔
174	break;	32✔
175	case y:	32✔
176	zero_axis_idx_ = 1; // y component of plane must be zero	32✔
177	axis_1_idx_ = 2; // z component independent	32✔
178	axis_2_idx_ = 0; // x component dependent	32✔
179	break;	32✔
180	case z:	270✔
181	zero_axis_idx_ = 2; // z component of plane must be zero	270✔
182	axis_1_idx_ = 0; // x component independent	270✔
183	axis_2_idx_ = 1; // y component dependent	270✔
184	break;	270✔
185	default:	×
186	throw std::invalid_argument(	×
187	fmt::format("You've specified an axis that is not x, y, or z."));	×
188	}
189
190	Direction ax = {0.0, 0.0, 0.0};	334✔
191	ax[zero_axis_idx_] = 1.0;	334✔
192
193	auto i_sign = std::copysign(1, i_surf);	334✔
194	auto j_sign = -std::copysign(1, j_surf);	334✔
195
196	// Compute the surface normal vectors and make sure they are perpendicular
197	// to the correct axis
198	Direction norm1 = i_sign * surf1.normal({0, 0, 0});	334✔
199	Direction norm2 = j_sign * surf2.normal({0, 0, 0});	334✔
200	// Make sure both surfaces intersect the origin
201	if (std::abs(surf1.evaluate({0, 0, 0})) > FP_COINCIDENT) {	334!
202	throw std::invalid_argument(fmt::format(	×
203	"Rotational periodic BCs are only "
204	"supported for rotations about the origin, but surface {} does not "
205	"intersect the origin.",
206	surf1.id_));	×
207	}
208	if (std::abs(surf2.evaluate({0, 0, 0})) > FP_COINCIDENT) {	334!
209	throw std::invalid_argument(fmt::format(	×
210	"Rotational periodic BCs are only "
211	"supported for rotations about the origin, but surface {} does not "
212	"intersect the origin.",
213	surf2.id_));	×
214	}
215
216	// Compute the signed rotation angle about the periodic axis. Note that
217	// (n1×n2)·a = \|n1\|\|n2\|sin(θ) and n1·n2 = \|n1\|\|n2\|cos(θ), where a is the axis
218	// of rotation.
219	auto c = norm1.cross(norm2);	334✔
220	angle_ = std::atan2(c.dot(ax), norm1.dot(norm2));	334✔
221
222	// If the normals point in the same general direction, the surface sense
223	// should change when crossing the boundary
224	flip_sense_ = (i_sign * j_sign > 0.0);	334✔
225
226	// Warn the user if the angle does not evenly divide a circle
227	double rem = std::abs(std::remainder((2 * PI / angle_), 1.0));	334✔
228	if (rem > FP_REL_PRECISION && rem < 1 - FP_REL_PRECISION) {	334!
UNCOV 229	warning(fmt::format(	×
230	"Rotational periodic BC specified with a rotation "
231	"angle of {} degrees which does not evenly divide 360 degrees.",
UNCOV 232	angle_ * 180 / PI));	×
233	}
234	}	334✔
235
236	void RotationalPeriodicBC::handle_particle(	1,952,382✔
237	Particle& p, const Surface& surf) const
238	{
239	int new_surface = p.surface() > 0 ? -(j_surf_ + 1) : j_surf_ + 1;	1,952,382✔
240	if (flip_sense_)	1,952,382✔
241	new_surface = -new_surface;	797,517✔
242
243	// Rotate the particle's position and direction.
244	Position r = p.r();	1,952,382✔
245	Direction u = p.u();	1,952,382✔
246	double cos_theta = std::cos(angle_);	1,952,382✔
247	double sin_theta = std::sin(angle_);	1,952,382✔
248
249	Position new_r;	1,952,382✔
250	new_r[zero_axis_idx_] = r[zero_axis_idx_];	1,952,382✔
251	new_r[axis_1_idx_] = cos_theta * r[axis_1_idx_] - sin_theta * r[axis_2_idx_];	1,952,382✔
252	new_r[axis_2_idx_] = sin_theta * r[axis_1_idx_] + cos_theta * r[axis_2_idx_];	1,952,382✔
253
254	Direction new_u;	1,952,382✔
255	new_u[zero_axis_idx_] = u[zero_axis_idx_];	1,952,382✔
256	new_u[axis_1_idx_] = cos_theta * u[axis_1_idx_] - sin_theta * u[axis_2_idx_];	1,952,382✔
257	new_u[axis_2_idx_] = sin_theta * u[axis_1_idx_] + cos_theta * u[axis_2_idx_];	1,952,382✔
258
259	// Handle the effects of the surface albedo on the particle's weight.
260	BoundaryCondition::handle_albedo(p, surf);	1,952,382✔
261
262	// Pass the new location, direction, and surface to the particle.
263	p.cross_periodic_bc(surf, new_r, new_u, new_surface);	1,952,382✔
264	}	1,952,382✔
265
266	} // namespace openmc

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