20278909785

Committed 16 Dec 2025 06:41PM UTC coverage: 81.834% (-0.09%) from 81.92%

Build # 20278909785

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Pull #3493

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Merge 9dc7c7a58 into bbfa18d72

Pull Request Pull Request #3493: Implement vector fitting to replace external `vectfit` package

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78.21

/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(i_surf, j_surf)
{
  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:
    // for a right handed coordinate system, z should be the independent axis
    // but this would cause the y-rotation case to be different than the other
    // two. using a left handed coordinate system and a negative rotation the
    // compute angle and rotation matrix behavior mimics that of the x and z
    // cases
    zero_axis_idx_ = 1; // y component of plane must be zero
    axis_1_idx_ = 0;    // x component independent
    axis_2_idx_ = 2;    // z 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."));
  }

  // Compute the surface normal vectors and make sure they are perpendicular
  // to the correct axis
  Direction norm1 = surf1.normal({0, 0, 0});
  Direction norm2 = 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_));
  }

  angle_ = compute_periodic_rotation(norm1[axis_2_idx_], norm1[axis_1_idx_],
    norm2[axis_2_idx_], norm2[axis_1_idx_]);

  // 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));
  }
}

double RotationalPeriodicBC::compute_periodic_rotation(
  double rise_1, double run_1, double rise_2, double run_2) const
{
  // Compute the BC rotation angle.  Here it is assumed that both surface
  // normal vectors point inwards---towards the valid geometry region.
  // Consequently, the rotation angle is not the difference between the two
  // normals, but is instead the difference between one normal and one
  // anti-normal.  (An incident ray on one surface must be an outgoing ray on
  // the other surface after rotation hence the anti-normal.)
  double theta1 = std::atan2(rise_1, run_1);
  double theta2 = std::atan2(rise_2, run_2) + PI;
  return theta2 - theta1;
}

void RotationalPeriodicBC::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 to figure out if a
  // forward or backward rotation is required.  Specify the other surface as
  // the particle's new surface.
  double theta;
  int new_surface;
  if (i_particle_surf == i_surf_) {
    theta = angle_;
    new_surface = p.surface() > 0 ? -(j_surf_ + 1) : j_surf_ + 1;
  } else if (i_particle_surf == j_surf_) {
    theta = -angle_;
    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.");
  }

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

  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	51,842,648✔
19	{
20	// Random ray and Monte Carlo need different treatments at vacuum BCs
21	if (settings::solver_type == SolverType::RANDOM_RAY) {	51,842,648✔
22	// Reflect ray off of the surface
23	ReflectiveBC().handle_particle(p, surf);	21,522,492✔
24
25	// Set ray's angular flux spectrum to vacuum conditions (zero)
26	RandomRay* r = static_cast<RandomRay*>(&p);	21,522,492✔
27	std::fill(r->angular_flux_.begin(), r->angular_flux_.end(), 0.0);	21,522,492✔
28
29	} else {
30	p.cross_vacuum_bc(surf);	30,320,156✔
31	}
32	}	51,842,648✔
33
34	//==============================================================================
35	// ReflectiveBC implementation
36	//==============================================================================
37
38	void ReflectiveBC::handle_particle(Particle& p, const Surface& surf) const	580,037,018✔
39	{
40	Direction u = surf.reflect(p.r(), p.u(), &p);	580,037,018✔
41	u /= u.norm();	580,037,018✔
42
43	// Handle the effects of the surface albedo on the particle's weight.
44	BoundaryCondition::handle_albedo(p, surf);	580,037,018✔
45
46	p.cross_reflective_bc(surf, u);	580,037,018✔
47	}	580,037,018✔
48
49	//==============================================================================
50	// WhiteBC implementation
51	//==============================================================================
52
53	void WhiteBC::handle_particle(Particle& p, const Surface& surf) const	915,590✔
54	{
55	Direction u = surf.diffuse_reflect(p.r(), p.u(), p.current_seed());	915,590✔
56	u /= u.norm();	915,590✔
57
58	// Handle the effects of the surface albedo on the particle's weight.
59	BoundaryCondition::handle_albedo(p, surf);	915,590✔
60
61	p.cross_reflective_bc(surf, u);	915,590✔
62	}	915,590✔
63
64	//==============================================================================
65	// TranslationalPeriodicBC implementation
66	//==============================================================================
67
68	TranslationalPeriodicBC::TranslationalPeriodicBC(int i_surf, int j_surf)	208✔
69	: PeriodicBC(i_surf, j_surf)	208✔
70	{
71	Surface& surf1 {*model::surfaces[i_surf_]};	208✔
72	Surface& surf2 {*model::surfaces[j_surf_]};	208✔
73
74	// Make sure the first surface has an appropriate type.
75	if (const auto* ptr = dynamic_cast<const SurfaceXPlane*>(&surf1)) {	208!
76	} else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf1)) {	160!
77	} else if (const auto* ptr = dynamic_cast<const SurfaceZPlane*>(&surf1)) {	140!
78	} else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf1)) {	56!
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)) {	208!
88	} else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf2)) {	160!
89	} else if (const auto* ptr = dynamic_cast<const SurfaceZPlane*>(&surf2)) {	140!
90	} else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf2)) {	84!
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};	208✔
102	Direction u = surf1.normal(origin);	208✔
103	double d1;
104	double e1 = surf1.evaluate(origin);	208✔
105	if (e1 > FP_COINCIDENT) {	208✔
106	d1 = -surf1.distance(origin, -u, false);	124✔
107	} else if (e1 < -FP_COINCIDENT) {	84!
108	d1 = surf1.distance(origin, u, false);	84✔
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);	208✔
116	if (e2 > FP_COINCIDENT) {	208✔
117	d2 = -surf2.distance(origin, -u, false);	84✔
118	} else if (e2 < -FP_COINCIDENT) {	124!
119	d2 = surf2.distance(origin, u, false);	124✔
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);	208✔
127	}	208✔
128
129	void TranslationalPeriodicBC::handle_particle(	269,528✔
130	Particle& p, const Surface& surf) const
131	{
132	int i_particle_surf = p.surface_index();	269,528✔
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;	269,528✔
137	int new_surface;
138	if (i_particle_surf == i_surf_) {	269,528✔
139	new_r = p.r() + translation_;	133,540✔
140	new_surface = p.surface() > 0 ? j_surf_ + 1 : -(j_surf_ + 1);	133,540✔
141	} else if (i_particle_surf == j_surf_) {	135,988!
142	new_r = p.r() - translation_;	135,988✔
143	new_surface = p.surface() > 0 ? i_surf_ + 1 : -(i_surf_ + 1);	135,988✔
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);	269,528✔
152
153	// Pass the new location and surface to the particle.
154	p.cross_periodic_bc(surf, new_r, p.u(), new_surface);	269,528✔
155	}	269,528✔
156
157	//==============================================================================
158	// RotationalPeriodicBC implementation
159	//==============================================================================
160
161	RotationalPeriodicBC::RotationalPeriodicBC(	112✔
162	int i_surf, int j_surf, PeriodicAxis axis)	112✔
163	: PeriodicBC(i_surf, j_surf)	112✔
164	{
165	Surface& surf1 {*model::surfaces[i_surf_]};	112✔
166	Surface& surf2 {*model::surfaces[j_surf_]};	112✔
167
168	// below convention for right handed coordinate system
169	switch (axis) {	112!
170	case x:	28✔
171	zero_axis_idx_ = 0; // x component of plane must be zero	28✔
172	axis_1_idx_ = 1; // y component independent	28✔
173	axis_2_idx_ = 2; // z component dependent	28✔
174	break;	28✔
175	case y:	28✔
176	// for a right handed coordinate system, z should be the independent axis
177	// but this would cause the y-rotation case to be different than the other
178	// two. using a left handed coordinate system and a negative rotation the
179	// compute angle and rotation matrix behavior mimics that of the x and z
180	// cases
181	zero_axis_idx_ = 1; // y component of plane must be zero	28✔
182	axis_1_idx_ = 0; // x component independent	28✔
183	axis_2_idx_ = 2; // z component dependent	28✔
184	break;	28✔
185	case z:	56✔
186	zero_axis_idx_ = 2; // z component of plane must be zero	56✔
187	axis_1_idx_ = 0; // x component independent	56✔
188	axis_2_idx_ = 1; // y component dependent	56✔
189	break;	56✔
UNCOV 190	default:	×
UNCOV 191	throw std::invalid_argument(	×
192	fmt::format("You've specified an axis that is not x, y, or z."));	×
193	}
194
195	// Compute the surface normal vectors and make sure they are perpendicular
196	// to the correct axis
197	Direction norm1 = surf1.normal({0, 0, 0});	112✔
198	Direction norm2 = surf2.normal({0, 0, 0});	112✔
199	// Make sure both surfaces intersect the origin
200	if (std::abs(surf1.evaluate({0, 0, 0})) > FP_COINCIDENT) {	112!
UNCOV 201	throw std::invalid_argument(fmt::format(	×
202	"Rotational periodic BCs are only "
203	"supported for rotations about the origin, but surface {} does not "
204	"intersect the origin.",
UNCOV 205	surf1.id_));	×
206	}
207	if (std::abs(surf2.evaluate({0, 0, 0})) > FP_COINCIDENT) {	112!
208	throw std::invalid_argument(fmt::format(	×
209	"Rotational periodic BCs are only "
210	"supported for rotations about the origin, but surface {} does not "
211	"intersect the origin.",
UNCOV 212	surf2.id_));	×
213	}
214
215	angle_ = compute_periodic_rotation(norm1[axis_2_idx_], norm1[axis_1_idx_],	112✔
216	norm2[axis_2_idx_], norm2[axis_1_idx_]);	112✔
217
218	// Warn the user if the angle does not evenly divide a circle
219	double rem = std::abs(std::remainder((2 * PI / angle_), 1.0));	112✔
220	if (rem > FP_REL_PRECISION && rem < 1 - FP_REL_PRECISION) {	112!
221	warning(fmt::format(	84✔
222	"Rotational periodic BC specified with a rotation "
223	"angle of {} degrees which does not evenly divide 360 degrees.",
224	angle_ * 180 / PI));	168✔
225	}
226	}	112✔
227
228	double RotationalPeriodicBC::compute_periodic_rotation(	112✔
229	double rise_1, double run_1, double rise_2, double run_2) const
230	{
231	// Compute the BC rotation angle. Here it is assumed that both surface
232	// normal vectors point inwards---towards the valid geometry region.
233	// Consequently, the rotation angle is not the difference between the two
234	// normals, but is instead the difference between one normal and one
235	// anti-normal. (An incident ray on one surface must be an outgoing ray on
236	// the other surface after rotation hence the anti-normal.)
237	double theta1 = std::atan2(rise_1, run_1);	112✔
238	double theta2 = std::atan2(rise_2, run_2) + PI;	112✔
239	return theta2 - theta1;	112✔
240	}
241
242	void RotationalPeriodicBC::handle_particle(	463,760✔
243	Particle& p, const Surface& surf) const
244	{
245	int i_particle_surf = p.surface_index();	463,760✔
246
247	// Figure out which of the two BC surfaces were struck to figure out if a
248	// forward or backward rotation is required. Specify the other surface as
249	// the particle's new surface.
250	double theta;
251	int new_surface;
252	if (i_particle_surf == i_surf_) {	463,760✔
253	theta = angle_;	232,600✔
254	new_surface = p.surface() > 0 ? -(j_surf_ + 1) : j_surf_ + 1;	232,600!
255	} else if (i_particle_surf == j_surf_) {	231,160!
256	theta = -angle_;	231,160✔
257	new_surface = p.surface() > 0 ? -(i_surf_ + 1) : i_surf_ + 1;	231,160!
258	} else {
UNCOV 259	throw std::runtime_error(	×
260	"Called BoundaryCondition::handle_particle after "
UNCOV 261	"hitting a surface, but that surface is not recognized by the BC.");	×
262	}
263
264	// Rotate the particle's position and direction about the z-axis.
265	Position r = p.r();	463,760✔
266	Direction u = p.u();	463,760✔
267	double cos_theta = std::cos(theta);	463,760✔
268	double sin_theta = std::sin(theta);	463,760✔
269
270	Position new_r;	463,760✔
271	new_r[zero_axis_idx_] = r[zero_axis_idx_];	463,760✔
272	new_r[axis_1_idx_] = cos_theta * r[axis_1_idx_] - sin_theta * r[axis_2_idx_];	463,760✔
273	new_r[axis_2_idx_] = sin_theta * r[axis_1_idx_] + cos_theta * r[axis_2_idx_];	463,760✔
274
275	Direction new_u;	463,760✔
276	new_u[zero_axis_idx_] = u[zero_axis_idx_];	463,760✔
277	new_u[axis_1_idx_] = cos_theta * u[axis_1_idx_] - sin_theta * u[axis_2_idx_];	463,760✔
278	new_u[axis_2_idx_] = sin_theta * u[axis_1_idx_] + cos_theta * u[axis_2_idx_];	463,760✔
279
280	// Handle the effects of the surface albedo on the particle's weight.
281	BoundaryCondition::handle_albedo(p, surf);	463,760✔
282
283	// Pass the new location, direction, and surface to the particle.
284	p.cross_periodic_bc(surf, new_r, new_u, new_surface);	463,760✔
285	}	463,760✔
286
287	} // namespace openmc

openmc-dev / openmc / 20278909785

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