From ba26d0df1bebfb0ba569362ee70d17cf78def713 Mon Sep 17 00:00:00 2001 From: GuySten Date: Thu, 5 Mar 2026 23:23:57 +0200 Subject: [PATCH 01/46] initial implementation of hexagonal grid --- include/openmc/mesh.h | 66 +++++++++- src/mesh.cpp | 282 +++++++++++++++++++++++++++++++++++++++++- 2 files changed, 338 insertions(+), 10 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 0d8189caa1d..17ebec83fdd 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -374,7 +374,11 @@ class StructuredMesh : public Mesh { //! //! \param[in] r Coordinate to get index for //! \param[in] i Direction index - virtual int get_index_in_direction(double r, int i) const = 0; + int get_index_in_direction(double r, int i) const + { + fatal_error("function is not implemented."); + return -1; + } //! Get the coordinate for the mesh grid boundary in the positive direction //! @@ -452,6 +456,7 @@ class StructuredMesh : public Mesh { // Data members std::array shape_; //!< Number of mesh elements in each dimension + int n_neighbors_ {-1}; protected: }; @@ -484,7 +489,7 @@ class RegularMesh : public StructuredMesh { RegularMesh(hid_t group); // Overridden methods - int get_index_in_direction(double r, int i) const override; + int get_index_in_direction(double r, int i) const; virtual std::string get_mesh_type() const override; @@ -537,7 +542,7 @@ class RectilinearMesh : public StructuredMesh { RectilinearMesh(hid_t group); // Overridden methods - int get_index_in_direction(double r, int i) const override; + int get_index_in_direction(double r, int i) const; virtual std::string get_mesh_type() const override; @@ -582,7 +587,7 @@ class CylindricalMesh : public PeriodicStructuredMesh { // Overridden methods virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; - int get_index_in_direction(double r, int i) const override; + int get_index_in_direction(double r, int i) const; virtual std::string get_mesh_type() const override; @@ -647,7 +652,7 @@ class SphericalMesh : public PeriodicStructuredMesh { // Overridden methods virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; - int get_index_in_direction(double r, int i) const override; + int get_index_in_direction(double r, int i) const; virtual std::string get_mesh_type() const override; @@ -706,6 +711,57 @@ class SphericalMesh : public PeriodicStructuredMesh { } }; +class HexagonalMesh : public PeriodicStructuredMesh { +public: + // Constructors + HexagonalMesh() = default; + HexagonalMesh(pugi::xml_node node); + HexagonalMesh(hid_t group); + + // Overridden methods + virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; + + virtual std::string get_mesh_type() const override; + + static const std::string mesh_type; + + Position sample_element(const MeshIndex& ijk, uint64_t* seed) const override; + + MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, + const Position& r0, const Direction& u, double l) const override; + + std::pair, vector> plot( + Position plot_ll, Position plot_ur) const override; + + void to_hdf5_inner(hid_t group) const override; + + int set_grid(); + + // Data members + int radius_; + double size_; + vector grid_; + Direction q_; + Direction r_; + Direction q_dual_; + Direction r_dual_; + +private: + enum class Orientation { + y, //!< Flat side of lattice parallel to y-axis + x //!< Flat side of lattice parallel to x-axis + }; + + Orientation orientation_ {Orientation::y}; + + StructuredMesh::MeshDistance find_z_crossing( + const Position& r, const Direction& u, double l, int shell) const; + + double volume(const MeshIndex& ijk) const override; + + int get_index_in_z_direction(double z) const; +}; + // Abstract class for unstructured meshes class UnstructuredMesh : public Mesh { diff --git a/src/mesh.cpp b/src/mesh.cpp index 5ab7ac3988b..578f8af5919 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -342,6 +342,8 @@ const std::unique_ptr& Mesh::create( model::meshes.push_back(make_unique(dataset)); } else if (mesh_type == SphericalMesh::mesh_type) { model::meshes.push_back(make_unique(dataset)); + } else if (mesh_type == HexagonalMesh::mesh_type) { + model::meshes.push_back(make_unique(dataset)); #ifdef OPENMC_DAGMC_ENABLED } else if (mesh_type == UnstructuredMesh::mesh_type && mesh_library == MOABMesh::mesh_lib_type) { @@ -1161,7 +1163,7 @@ void StructuredMesh::raytrace_mesh( Position global_r = r0; Position local_r = local_coords(r0); - const int n = n_dimension_; + const int n = n_neighbors_; // Flag if position is inside the mesh bool in_mesh; @@ -1304,7 +1306,7 @@ void StructuredMesh::surface_bins_crossed( void surface(const MeshIndex& ijk, int k, bool max, bool inward) const { int i_bin = - 4 * mesh->n_dimension_ * mesh->get_bin_from_indices(ijk) + 4 * k; + 4 * mesh->n_neighbors_ * mesh->get_bin_from_indices(ijk) + 4 * k; if (max) i_bin += 2; if (inward) @@ -1400,6 +1402,7 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node} tensor::Tensor shape = get_node_tensor(node, "dimension"); int n = n_dimension_ = shape.size(); + n_neighbors_ = n_dimension_; if (n != 1 && n != 2 && n != 3) { fatal_error("Mesh must be one, two, or three dimensions."); } @@ -1444,6 +1447,7 @@ RegularMesh::RegularMesh(hid_t group) : StructuredMesh {group} tensor::Tensor shape; read_dataset(group, "dimension", shape); int n = n_dimension_ = shape.size(); + n_neighbors_ = n_dimension_; if (n != 1 && n != 2 && n != 3) { fatal_error("Mesh must be one, two, or three dimensions."); } @@ -1623,6 +1627,7 @@ double RegularMesh::volume(const MeshIndex& ijk) const RectilinearMesh::RectilinearMesh(pugi::xml_node node) : StructuredMesh {node} { n_dimension_ = 3; + n_neighbors_ = n_dimension_; grid_[0] = get_node_array(node, "x_grid"); grid_[1] = get_node_array(node, "y_grid"); @@ -1636,6 +1641,7 @@ RectilinearMesh::RectilinearMesh(pugi::xml_node node) : StructuredMesh {node} RectilinearMesh::RectilinearMesh(hid_t group) : StructuredMesh {group} { n_dimension_ = 3; + n_neighbors_ = n_dimension_; read_dataset(group, "x_grid", grid_[0]); read_dataset(group, "y_grid", grid_[1]); @@ -1771,6 +1777,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { n_dimension_ = 3; + n_neighbors_ = n_dimension_; grid_[0] = get_node_array(node, "r_grid"); grid_[1] = get_node_array(node, "phi_grid"); grid_[2] = get_node_array(node, "z_grid"); @@ -1784,6 +1791,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) CylindricalMesh::CylindricalMesh(hid_t group) : PeriodicStructuredMesh {group} { n_dimension_ = 3; + n_neighbors_ = n_dimension_; read_dataset(group, "r_grid", grid_[0]); read_dataset(group, "phi_grid", grid_[1]); read_dataset(group, "z_grid", grid_[2]); @@ -2062,7 +2070,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { n_dimension_ = 3; - + n_neighbors_ = n_dimension_; grid_[0] = get_node_array(node, "r_grid"); grid_[1] = get_node_array(node, "theta_grid"); grid_[2] = get_node_array(node, "phi_grid"); @@ -2076,7 +2084,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) SphericalMesh::SphericalMesh(hid_t group) : PeriodicStructuredMesh {group} { n_dimension_ = 3; - + n_neighbors_ = n_dimension_; read_dataset(group, "r_grid", grid_[0]); read_dataset(group, "theta_grid", grid_[1]); read_dataset(group, "phi_grid", grid_[2]); @@ -2384,6 +2392,270 @@ double SphericalMesh::volume(const MeshIndex& ijk) const (std::cos(theta_i) - std::cos(theta_o)) * (phi_o - phi_i); } +//============================================================================== +// HexagonalMesh implementation +//============================================================================== + +HexagonalMesh::HexagonalMesh(pugi::xml_node node) + : PeriodicStructuredMesh {node} +{ + n_dimension_ = 3; + n_neighbors_ = 4; + grid_ = get_node_array(node, "grid"); + radius_ = std::stoi(get_node_value(node, "radius")); + size_ = std::stod(get_node_value(node, "size")); + origin_ = get_node_position(node, "origin"); + + // Read the orientation. Default to 'y'. + if (check_for_node(node, "orientation")) { + std::string orientation = get_node_value(node, "orientation"); + if (orientation == "x") { + orientation_ = Orientation::x; + } else if (orientation != "y") { + fatal_error("Unrecognized orientation '" + orientation + "'"); + } + } + + if (int err = set_grid()) { + fatal_error(openmc_err_msg); + } +} + +HexagonalMesh::HexagonalMesh(hid_t group) : PeriodicStructuredMesh {group} +{ + n_dimension_ = 3; + n_neighbors_ = 4; + read_dataset(group, "grid", grid_); + read_attribute(group, "radius", radius_); + read_attribute(group, "size", size_); + read_dataset(group, "origin", origin_); + + if (attribute_exists(group, "orientation")) { + std::string orientation; + read_attribute(group, "orientation", orientation); + if (orientation == "x") { + orientation_ = Orientation::x; + } else if (orientation != "y") { + fatal_error("Unrecognized orientation '" + orientation + "'"); + } + } + if (int err = set_grid()) { + fatal_error(openmc_err_msg); + } +} + +const std::string HexagonalMesh::mesh_type = "hexagonal"; + +std::string HexagonalMesh::get_mesh_type() const +{ + return mesh_type; +} + +StructuredMesh::MeshIndex HexagonalMesh::get_indices( + Position r, bool& in_mesh) const +{ + r = local_coords(r); + + double q = q_dual_.dot(r); + double r0 = r_dual_.dot(r); + double s = -q - r0; + + double q_r = std::round(q); + double r_r = std::round(r0); + double s_r = std::round(s); + std::array diff = { + std::abs(q - q_r), std::abs(r0 - r_r), std::abs(s - s_r)}; + auto max_it = std::max_element(diff.begin(), diff.end()); + int i = static_cast(std::distance(diff.begin(), max_it)); + + if (i == 0) + q_r = -s_r - r_r; + else if (i == 1) + r_r = -q_r - s_r; + + int z_i = get_index_in_z_direction(r.z); + int q_i = static_cast(q_r); + int r_i = static_cast(r_r); + int s_i = -q_i - r_i; + + MeshIndex ijk; + in_mesh = true; + + ijk[0] = q_i; + ijk[1] = r_i; + ijk[2] = z_i; + + if (std::max({std::abs(q_i), std::abs(r_i), std::abs(s_i)}) > radius_) + in_mesh = false; + if (ijk[2] < 1 || ijk[2] > grid_.size() - 1) + in_mesh = false; + + return ijk; +} + +Position HexagonalMesh::sample_element( + const MeshIndex& ijk, uint64_t* seed) const +{ + double q0 = ijk[0]; + double r0 = ijk[1]; + double z = uniform_distribution(grid_[ijk[2] - 1], grid_[ijk[2]], seed); + double q, r, s; + do { + double rad = std::cbrt(uniform_distribution(0.0, std::pow(size_, 3), seed)); + double phi = uniform_distribution(0.0, 2 * PI, seed); + double x = rad * std::cos(phi); + double y = rad * std::sin(phi); + q = q_dual_[0] * x + q_dual_[1] * y; + r = r_dual_[0] * x + r_dual_[1] * y; + s = -q - r; + } while (std::max({std::abs(q), std::abs(r), std::abs(s)}) > 1); + + return origin_ + size_ * ((q + q0) * q_ + (r + r0) * r_) + z; +} + +StructuredMesh::MeshDistance HexagonalMesh::find_z_crossing( + const Position& r, const Direction& u, double l, int shell) const +{ + MeshDistance d; + d.next_index = shell; + + // Direction of flight is within xy-plane. Will never intersect z. + if (std::abs(u.z) < FP_PRECISION) + return d; + + d.max_surface = (u.z > 0.0); + if (d.max_surface && (shell < grid_.size())) { + ++d.next_index; + d.distance = (grid_[shell] - r.z) / u.z; + } else if (!d.max_surface && (shell > 0)) { + --d.next_index; + d.distance = (grid_[shell - 1] - r.z) / u.z; + } + return d; +} + +StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( + const MeshIndex& ijk, int i, const Position& r0, const Direction& u, + double l) const +{ + auto r = local_coords(r0); + if (i == 3) + return find_z_crossing(r, u, l, ijk[2]); + r.z = 0.0; + + MeshDistance d; + Direction s_ = -q_ - r_; + Direction dir; + MeshIndex idx = {ijk[0], ijk[1], -ijk[0] - ijk[1]}; + MeshIndex offset = {0, 0, 0}; + double distance; + d.next_index = idx[i]; + if (i == 0) { + dir = 0.5 * (q_ - r_); + ++offset[0]; + --offset[1]; + } else if (i == 1) { + dir = 0.5 * (r_ - s_); + ++offset[1]; + --offset[2]; + } else { + dir = 0.5 * (s_ - q_); + ++offset[2]; + --offset[0]; + } + dir /= dir.norm(); + if (std::abs(u.dot(dir)) < FP_PRECISION) + return d; + d.max_surface = (u.dot(dir) > 0.0); + if (d.max_surface) { + distance = (idx[0] * q_ + idx[1] * r_ - r).norm() / u.dot(dir); + idx[0] += offset[0]; + idx[1] += offset[1]; + idx[2] += offset[2]; + } else { + idx[0] -= offset[0]; + idx[1] -= offset[1]; + idx[2] -= offset[2]; + distance = (idx[0] * q_ + idx[1] * r_ - r).norm() / u.dot(dir); + } + int radius = std::max({std::abs(idx[0]), std::abs(idx[1]), std::abs(idx[2])}); + if (d.max_surface && radius <= radius_) { + ++d.next_index; + d.distance = distance; + } else if (!d.max_surface && radius <= radius_) { + --d.next_index; + d.distance = distance; + } + return d; +} + +int HexagonalMesh::set_grid() +{ + + if (orientation_ == Orientation::y) { + q_ = {0.0, -1.0, 0.0}; + r_ = {0.5 * std::sqrt(3.0), 0.5, 0.0}; + q_dual_ = {1.0 / std::sqrt(3.0), 2.0 / std::sqrt(3.0), 0.0}; + r_dual_ = {-1.0, 0.0, 0.0}; + } else { + q_ = {-1.0, 0.0, 0.0}; + r_ = {0.5, 0.5 * std::sqrt(3.0), 0.0}; + q_dual_ = {2.0 / std::sqrt(3.0), 1.0 / std::sqrt(3.0), 0.0}; + r_dual_ = {0.0, -1.0, 0.0}; + } + + q_ *= size_; + r_ *= size_; + q_dual_ /= size_; + r_dual_ /= size_; + + if (grid_.size() < 2) { + set_errmsg("z- grid for hexagonal meshes " + "must each have at least 2 points"); + return OPENMC_E_INVALID_ARGUMENT; + } + if (std::adjacent_find(grid_.begin(), grid_.end(), std::greater_equal<>()) != + grid_.end()) { + set_errmsg("Values in z- grid for " + "hexagonal meshes must be sorted and unique."); + return OPENMC_E_INVALID_ARGUMENT; + } + return 0; +} + +int HexagonalMesh::get_index_in_z_direction(double z) const +{ + return lower_bound_index(grid_.begin(), grid_.end(), z) + 1; +} + +std::pair, vector> HexagonalMesh::plot( + Position plot_ll, Position plot_ur) const +{ + fatal_error("Plot of hexagonal Mesh not implemented"); + + // Figure out which axes lie in the plane of the plot. + array, 2> axis_lines; + return {axis_lines[0], axis_lines[1]}; +} + +void HexagonalMesh::to_hdf5_inner(hid_t mesh_group) const +{ + write_dataset(mesh_group, "grid", grid_); + if (orientation_ == Orientation::x) + write_attribute(mesh_group, "orientation", "x"); + write_attribute(mesh_group, "radius", radius_); + write_attribute(mesh_group, "size", size_); + write_dataset(mesh_group, "origin", origin_); +} + +double HexagonalMesh::volume(const MeshIndex& ijk) const +{ + double f = 1.5 * std::sqrt(3.0); + double z_i = grid_[ijk[2] - 1]; + double z_o = grid_[ijk[2]]; + return f * (z_o - z_i) * size_ * size_; +} + //============================================================================== // Helper functions for the C API //============================================================================== @@ -3803,7 +4075,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From e0dff5b302b6299661569e17aaa426a5c860cca3 Mon Sep 17 00:00:00 2001 From: GuySten Date: Fri, 6 Mar 2026 01:17:36 +0200 Subject: [PATCH 02/46] added python hexagonal grid --- openmc/mesh.py | 228 +++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 228 insertions(+) diff --git a/openmc/mesh.py b/openmc/mesh.py index 030a57218eb..5033e8bae04 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -300,6 +300,8 @@ def from_hdf5(cls, group: h5py.Group): return CylindricalMesh.from_hdf5(group, mesh_id, mesh_name) elif mesh_type == 'spherical': return SphericalMesh.from_hdf5(group, mesh_id, mesh_name) + elif mesh_type == 'hexagonal': + return HexagonalMesh.from_hdf5(group, mesh_id, mesh_name) elif mesh_type == 'unstructured': return UnstructuredMesh.from_hdf5(group, mesh_id, mesh_name) else: @@ -2533,6 +2535,232 @@ def get_indices_at_coords(self, coords: Sequence[float]) -> tuple: "get_indices_at_coords is not yet implemented for SphericalMesh" ) +class HexagonalMesh(StructuredMesh): + """A 3D hexagonal mesh + + Parameters + ---------- + z_grid : numpy.ndarray + 1-D array of mesh boundary points along the z-axis. + pitch : float + Radial pitch of the hexagonal mesh in cm. + num_rings : int + Number of radial ring positions in the xy-plane + orientation : {'x', 'y'} + The orientation of the lattice. The 'x' orientation means that each + lattice element has two faces that are perpendicular to the x-axis, + while the 'y' orientation means that each lattice element has two faces + that are perpendicular to the y-axis. By default, the orientation is + 'y'. + origin : numpy.ndarray + 1-D array of length 3 the (x,y,z) origin of the mesh in + cartesian coordinates + mesh_id : int + Unique identifier for the mesh + name : str + Name of the mesh + + Attributes + ---------- + id : int + Unique identifier for the mesh + name : str + Name of the mesh + z_grid : numpy.ndarray + 1-D array of mesh boundary points along the z-axis. + pitch : float + Radial pitch of the hexagonal mesh in cm. + num_rings : int + Number of radial ring positions in the xy-plane + orientation : {'x', 'y'} + The orientation of the lattice. The 'x' orientation means that each + lattice element has two faces that are perpendicular to the x-axis, + while the 'y' orientation means that each lattice element has two faces + that are perpendicular to the y-axis. By default, the orientation is + 'y'. + origin : numpy.ndarray + 1-D array of length 3 the (x,y,z) origin of the mesh in + cartesian coordinates + indices : Iterable of tuple + An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1), + (2, 1, 1), ...] + lower_left : numpy.ndarray + The lower-left corner of the structured mesh. If only two coordinate + are given, it is assumed that the mesh is an x-y mesh. + upper_right : numpy.ndarray + The upper-right corner of the structured mesh. If only two coordinate + are given, it is assumed that the mesh is an x-y mesh. + bounding_box : openmc.BoundingBox + Axis-aligned bounding box of the mesh as defined by the upper-right and + lower-left coordinates. + + """ + + def __init__( + self, + z_grid: Sequence[float], + pitch: float, + num_ring: int, + orientation: str = 'y', + origin: Sequence[float] = (0., 0., 0.), + mesh_id: int | None = None, + name: str = '', + ): + super().__init__(mesh_id, name) + + self.z_grid = z_grid + self.pitch = pitch + self.num_ring = num_ring + self.orientation = orientation + self.origin = origin + + @property + def _axis_labels(self): + return ('r', 'i', 'z') + + @property + def origin(self): + return self._origin + + @origin.setter + def origin(self, coords): + cv.check_type('mesh origin', coords, Iterable, Real) + cv.check_length("mesh origin", coords, 3) + self._origin = np.asarray(coords, dtype=float) + + @property + def z_grid(self): + return self._z_grid + + @z_grid.setter + def z_grid(self, grid): + cv.check_type('mesh z_grid', grid, Iterable, Real) + cv.check_length('mesh z_grid', grid, 2) + cv.check_increasing('mesh z_grid', grid) + self._z_grid = np.asarray(grid, dtype=float) + + @property + def pitch(self): + return self._pitch + + @pitch.setter + def pitch(self, pitch): + cv.check_type('mesh radial pitch', pitch, Real) + cv.check_greater_than('mesh radial pitch', pitch, 0.0) + self._pitch = pitch + + @property + def num_rings(self): + return self._num_rings + + @num_rings.setter + def num_rings(self, num_rings): + cv.check_type('mesh num_rings', num_rings, Integral) + cv.check_greater_than('mesh num_rings', num_rings, 0) + self._num_rings = num_rings + + @property + def orientation(self): + return self._orientation + + @orientation.setter + def orientation(self, orientation): + cv.check_value('orientation', orientation.lower(), ('x', 'y')) + self._orientation = orientation.lower() + + @property + def indices(self): + return [(r, i, z) for z in range(self.z_grid.size() - 1) + for r in range(self.num_rings) + for i in range(max(6*(self.num_rings - 1 - r), 1))] + + def __repr__(self): + fmt = '{0: <16}{1}{2}\n' + string = super().__repr__() + string += fmt.format('\tOrigin', '=\t', self.origin) + string += fmt.format('\tPitch', '=\t', self.pitch) + string += fmt.format('\tN rings', '=\t', self.num_rings) + string += fmt.format('\tOrientation', '=\t', self.orientation) + z_grid_str = str(self._z_grid) if self._z_grid is None else len(self._z_grid) + string += fmt.format('\tN Z pnts:', '=\t', z_grid_str) + if self._z_grid is not None: + string += fmt.format('\tZ Min:', '=\t', self._z_grid[0]) + string += fmt.format('\tZ Max:', '=\t', self._z_grid[-1]) + return string + + @classmethod + def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str): + # Read and assign mesh properties + mesh = cls( + z_grid = group['grid'][()], + pitch = np.sqrt(3)*group['size'][()], + num_rings = group['radius'][()], + mesh_id=mesh_id, + name=name + ) + if 'origin' in group: + mesh.origin = group['origin'][()] + if 'orientation' in group: + mesh.orientation = group['orientation'][()] + + return mesh + + def to_xml_element(self): + """Return XML representation of the mesh + + Returns + ------- + element : lxml.etree._Element + XML element containing mesh data + + """ + + element = super().to_xml_element() + element.set("type", "hexagonal") + element.set("size", str(self.pitch/np.sqrt(3))) + element.set("radius", str(self.num_rings)) + element.set("orientation", str(self.orientation)) + + subelement = ET.SubElement(element, "grid") + subelement.text = ' '.join(map(str, self.z_grid)) + + subelement = ET.SubElement(element, "origin") + subelement.text = ' '.join(map(str, self.origin)) + + return element + + @classmethod + def from_xml_element(cls, elem: ET.Element): + """Generate a spherical mesh from an XML element + + Parameters + ---------- + elem : lxml.etree._Element + XML element + + Returns + ------- + openmc.SphericalMesh + Spherical mesh object + + """ + mesh_id = int(get_text(elem, 'id')) + mesh = cls( + mesh_id=mesh_id, + z_grid = get_elem_list(elem, "grid", float), + pitch = float(get_text(elem, "size"))*np.sqrt(3), + num_rings = int(get_text(elem, "radius")), + orientation = get_text(elem, "orientation"), + origin = get_elem_list(elem, "origin", float) or [0., 0., 0.], + ) + + return mesh + + def get_indices_at_coords(self, coords: Sequence[float]) -> tuple: + raise NotImplementedError( + "get_indices_at_coords is not yet implemented for SphericalMesh" + ) + def require_statepoint_data(func): @wraps(func) From 4b008eba7551f68b51b78c51609ae287a8f9a0f7 Mon Sep 17 00:00:00 2001 From: GuySten <62616591+GuySten@users.noreply.github.com> Date: Fri, 6 Mar 2026 01:34:49 +0200 Subject: [PATCH 03/46] Fix indentation in local elements loop --- src/mesh.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 578f8af5919..b10e9d03ef8 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -4075,7 +4075,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From 5035d051dfb702680f5c11fe088a3ddf4d9c3fcc Mon Sep 17 00:00:00 2001 From: GuySten Date: Fri, 6 Mar 2026 08:07:39 +0200 Subject: [PATCH 04/46] fix virtual method --- include/openmc/mesh.h | 20 +++++++++++--------- 1 file changed, 11 insertions(+), 9 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 17ebec83fdd..ad6a1553d81 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -374,11 +374,7 @@ class StructuredMesh : public Mesh { //! //! \param[in] r Coordinate to get index for //! \param[in] i Direction index - int get_index_in_direction(double r, int i) const - { - fatal_error("function is not implemented."); - return -1; - } + virtual int get_index_in_direction(double r, int i) const = 0; //! Get the coordinate for the mesh grid boundary in the positive direction //! @@ -489,7 +485,7 @@ class RegularMesh : public StructuredMesh { RegularMesh(hid_t group); // Overridden methods - int get_index_in_direction(double r, int i) const; + int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; @@ -542,7 +538,7 @@ class RectilinearMesh : public StructuredMesh { RectilinearMesh(hid_t group); // Overridden methods - int get_index_in_direction(double r, int i) const; + int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; @@ -587,7 +583,7 @@ class CylindricalMesh : public PeriodicStructuredMesh { // Overridden methods virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; - int get_index_in_direction(double r, int i) const; + int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; @@ -652,7 +648,7 @@ class SphericalMesh : public PeriodicStructuredMesh { // Overridden methods virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; - int get_index_in_direction(double r, int i) const; + int get_index_in_direction(double r, int i) const override; virtual std::string get_mesh_type() const override; @@ -759,6 +755,12 @@ class HexagonalMesh : public PeriodicStructuredMesh { double volume(const MeshIndex& ijk) const override; + int get_index_in_direction(double r, int i) const override + { + fatal_error("This function is not implemented"); + return -1; + } + int get_index_in_z_direction(double z) const; }; From 31351c769e3fc3c0542f1c5eaef994a43a118409 Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 13:01:53 +0200 Subject: [PATCH 05/46] restructured code --- include/openmc/mesh.h | 5 ++++- src/mesh.cpp | 16 +++------------- 2 files changed, 7 insertions(+), 14 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index ad6a1553d81..fefa14979be 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -327,6 +327,8 @@ class StructuredMesh : public Mesh { int n_surface_bins() const override; + virtual int n_neighbors() const { return n_dimension_; } + void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; @@ -452,7 +454,6 @@ class StructuredMesh : public Mesh { // Data members std::array shape_; //!< Number of mesh elements in each dimension - int n_neighbors_ {-1}; protected: }; @@ -721,6 +722,8 @@ class HexagonalMesh : public PeriodicStructuredMesh { static const std::string mesh_type; + virtual int n_neighbors() const override { return 4; } + Position sample_element(const MeshIndex& ijk, uint64_t* seed) const override; MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, diff --git a/src/mesh.cpp b/src/mesh.cpp index b10e9d03ef8..83f7841a31d 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -1163,7 +1163,7 @@ void StructuredMesh::raytrace_mesh( Position global_r = r0; Position local_r = local_coords(r0); - const int n = n_neighbors_; + const int n = n_neighbors(); // Flag if position is inside the mesh bool in_mesh; @@ -1306,7 +1306,7 @@ void StructuredMesh::surface_bins_crossed( void surface(const MeshIndex& ijk, int k, bool max, bool inward) const { int i_bin = - 4 * mesh->n_neighbors_ * mesh->get_bin_from_indices(ijk) + 4 * k; + 4 * mesh->n_neighbors() * mesh->get_bin_from_indices(ijk) + 4 * k; if (max) i_bin += 2; if (inward) @@ -1402,7 +1402,6 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node} tensor::Tensor shape = get_node_tensor(node, "dimension"); int n = n_dimension_ = shape.size(); - n_neighbors_ = n_dimension_; if (n != 1 && n != 2 && n != 3) { fatal_error("Mesh must be one, two, or three dimensions."); } @@ -1447,7 +1446,6 @@ RegularMesh::RegularMesh(hid_t group) : StructuredMesh {group} tensor::Tensor shape; read_dataset(group, "dimension", shape); int n = n_dimension_ = shape.size(); - n_neighbors_ = n_dimension_; if (n != 1 && n != 2 && n != 3) { fatal_error("Mesh must be one, two, or three dimensions."); } @@ -1627,7 +1625,6 @@ double RegularMesh::volume(const MeshIndex& ijk) const RectilinearMesh::RectilinearMesh(pugi::xml_node node) : StructuredMesh {node} { n_dimension_ = 3; - n_neighbors_ = n_dimension_; grid_[0] = get_node_array(node, "x_grid"); grid_[1] = get_node_array(node, "y_grid"); @@ -1641,7 +1638,6 @@ RectilinearMesh::RectilinearMesh(pugi::xml_node node) : StructuredMesh {node} RectilinearMesh::RectilinearMesh(hid_t group) : StructuredMesh {group} { n_dimension_ = 3; - n_neighbors_ = n_dimension_; read_dataset(group, "x_grid", grid_[0]); read_dataset(group, "y_grid", grid_[1]); @@ -1777,7 +1773,6 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { n_dimension_ = 3; - n_neighbors_ = n_dimension_; grid_[0] = get_node_array(node, "r_grid"); grid_[1] = get_node_array(node, "phi_grid"); grid_[2] = get_node_array(node, "z_grid"); @@ -1791,7 +1786,6 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) CylindricalMesh::CylindricalMesh(hid_t group) : PeriodicStructuredMesh {group} { n_dimension_ = 3; - n_neighbors_ = n_dimension_; read_dataset(group, "r_grid", grid_[0]); read_dataset(group, "phi_grid", grid_[1]); read_dataset(group, "z_grid", grid_[2]); @@ -2070,7 +2064,6 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { n_dimension_ = 3; - n_neighbors_ = n_dimension_; grid_[0] = get_node_array(node, "r_grid"); grid_[1] = get_node_array(node, "theta_grid"); grid_[2] = get_node_array(node, "phi_grid"); @@ -2084,7 +2077,6 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) SphericalMesh::SphericalMesh(hid_t group) : PeriodicStructuredMesh {group} { n_dimension_ = 3; - n_neighbors_ = n_dimension_; read_dataset(group, "r_grid", grid_[0]); read_dataset(group, "theta_grid", grid_[1]); read_dataset(group, "phi_grid", grid_[2]); @@ -2400,7 +2392,6 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { n_dimension_ = 3; - n_neighbors_ = 4; grid_ = get_node_array(node, "grid"); radius_ = std::stoi(get_node_value(node, "radius")); size_ = std::stod(get_node_value(node, "size")); @@ -2424,7 +2415,6 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) HexagonalMesh::HexagonalMesh(hid_t group) : PeriodicStructuredMesh {group} { n_dimension_ = 3; - n_neighbors_ = 4; read_dataset(group, "grid", grid_); read_attribute(group, "radius", radius_); read_attribute(group, "size", size_); @@ -4075,7 +4065,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From 074d81ede66b8910671e26fb36c7278535c979e3 Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 16:39:43 +0200 Subject: [PATCH 06/46] wip --- include/openmc/mesh.h | 10 +++-- openmc/mesh.py | 27 +++++++---- src/mesh.cpp | 45 +++++++++++++++++++ src/tallies/tally_scoring.cpp | 9 ++-- .../filter_mesh/inputs_true.dat | 24 +++++----- .../filter_mesh/results_true.dat | 2 +- tests/regression_tests/filter_mesh/test.py | 8 +++- 7 files changed, 95 insertions(+), 30 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index fefa14979be..f80f6e171ac 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -716,13 +716,17 @@ class HexagonalMesh : public PeriodicStructuredMesh { HexagonalMesh(hid_t group); // Overridden methods - virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; + int get_bin(Position r) const override; - virtual std::string get_mesh_type() const override; + MeshIndex get_indices(Position r, bool& in_mesh) const override; + + int get_bin_from_indices(const MeshIndex& ijk) const override; + + std::string get_mesh_type() const override; static const std::string mesh_type; - virtual int n_neighbors() const override { return 4; } + int n_neighbors() const override { return 4; } Position sample_element(const MeshIndex& ijk, uint64_t* seed) const override; diff --git a/openmc/mesh.py b/openmc/mesh.py index 5033e8bae04..463d5ed050d 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -544,11 +544,6 @@ def n_dimension(self): def _axis_labels(self): pass - @property - @abstractmethod - def _grids(self): - pass - @abstractmethod def get_indices_at_coords(self, coords: Sequence[float]) -> tuple: pass @@ -2600,7 +2595,7 @@ def __init__( self, z_grid: Sequence[float], pitch: float, - num_ring: int, + num_rings: int, orientation: str = 'y', origin: Sequence[float] = (0., 0., 0.), mesh_id: int | None = None, @@ -2610,7 +2605,7 @@ def __init__( self.z_grid = z_grid self.pitch = pitch - self.num_ring = num_ring + self.num_rings = num_rings self.orientation = orientation self.origin = origin @@ -2649,6 +2644,22 @@ def pitch(self, pitch): cv.check_greater_than('mesh radial pitch', pitch, 0.0) self._pitch = pitch + @property + def n_dimension(self): + return 3 + + @property + def dimension(self): + return + + @property + def lower_left(self): + return + + @property + def upper_right(self): + return + @property def num_rings(self): return self._num_rings @@ -2670,7 +2681,7 @@ def orientation(self, orientation): @property def indices(self): - return [(r, i, z) for z in range(self.z_grid.size() - 1) + return [(r, i, z) for z in range(self.z_grid.size - 1) for r in range(self.num_rings) for i in range(max(6*(self.num_rings - 1 - r), 1))] diff --git a/src/mesh.cpp b/src/mesh.cpp index 83f7841a31d..71e2d15795b 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2441,6 +2441,49 @@ std::string HexagonalMesh::get_mesh_type() const return mesh_type; } +int HexagonalMesh::get_bin(Position r) const +{ + // Determine indices + bool in_mesh; + MeshIndex ijk = get_indices(r, in_mesh); + if (!in_mesh) + return -1; + + // Convert indices to bin + return get_bin_from_indices(ijk); +} + +int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const +{ + int r = ijk[0]; + int q = ijk[1]; + int s = -r - q; + int k = ijk[2]; + int rad = std::max({std::abs(r), std::abs(q), std::abs(s)}); + int offset = 3 * (radius_ * (radius_ + 1) - rad * (rad + 1)); + int side, pos; + if ((q == rad) && (s == -rad)) { + side = 0; + pos = r; + } else if ((s == -rad) && (r == rad)) { + side = 1; + pos = -q; + } else if ((r == rad) && (q == -rad)) { + side = 2; + pos = -s; + } else if ((q == -rad) && (s == rad)) { + side = 3; + pos = -r; + } else if ((s == rad) && (r == -rad)) { + side = 4; + pos = q; + } else { + side = 5; + pos = s; + } + return (k - 1) * (grid_.size() - 1) + offset + side * rad + pos; +} + StructuredMesh::MeshIndex HexagonalMesh::get_indices( Position r, bool& in_mesh) const { @@ -2712,6 +2755,8 @@ extern "C" int openmc_extend_meshes( model::meshes.push_back(make_unique()); } else if (SphericalMesh::mesh_type == type) { model::meshes.push_back(make_unique()); + } else if (HexagonalMesh::mesh_type == type) { + model::meshes.push_back(make_unique()); } else { throw std::runtime_error {"Unknown mesh type: " + std::string(type)}; } diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp index 4210b034a96..18edccc908f 100644 --- a/src/tallies/tally_scoring.cpp +++ b/src/tallies/tally_scoring.cpp @@ -1099,7 +1099,8 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index, apply_derivative_to_score( p, i_tally, i_nuclide, atom_density, score_bin, score); -// Update tally results + // Update tally results + write_message(2, "fi {} si {}", filter_index, score_index); #pragma omp atomic tally.results_(filter_index, score_index, TallyResult::VALUE) += score * filter_weight; @@ -2636,7 +2637,7 @@ void score_meshsurface_tally(Particle& p, const vector& tallies) // for a further scoring function. double score = current * filter_weight; for (auto score_index = 0; score_index < tally.scores_.size(); - ++score_index) { + ++score_index) { #pragma omp atomic tally.results_(filter_index, score_index, TallyResult::VALUE) += score; } @@ -2690,7 +2691,7 @@ void score_surface_tally( // Loop over scores. for (auto score_index = 0; score_index < tally.scores_.size(); - ++score_index) { + ++score_index) { auto score_bin = tally.scores_[score_index]; double score; if (score_bin == SCORE_CURRENT) { @@ -2769,7 +2770,7 @@ void score_pulse_height_tally(Particle& p, const vector& tallies) // Loop over scores. for (auto score_index = 0; score_index < tally.scores_.size(); - ++score_index) { + ++score_index) { #pragma omp atomic tally.results_(filter_index, score_index, TallyResult::VALUE) += filter_weight; diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat index 10f70a720f2..6ec95e592db 100644 --- a/tests/regression_tests/filter_mesh/inputs_true.dat +++ b/tests/regression_tests/filter_mesh/inputs_true.dat @@ -66,37 +66,37 @@ 1 - + 1 2 - + 2 3 - + 3 4 - + 4 5 - + 5 6 - + 6 @@ -104,7 +104,7 @@ total - 7 + 8 current @@ -112,7 +112,7 @@ total - 8 + 9 current @@ -120,7 +120,7 @@ total - 9 + 10 current @@ -128,7 +128,7 @@ total - 10 + 11 current @@ -136,7 +136,7 @@ total - 11 + 12 current @@ -144,7 +144,7 @@ total - 12 + 13 current diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat index 34e99c17e24..6224d046ce7 100644 --- a/tests/regression_tests/filter_mesh/results_true.dat +++ b/tests/regression_tests/filter_mesh/results_true.dat @@ -1 +1 @@ -e07ed2bc8893c69721abf61b123336f1f6128a3bee6ec63b84d1f549f31707a74a6ce885091ccc0eac6b7f16f7cab39ede4784584c08825829e108de878ea5fb \ No newline at end of file +d6808f0ab02f8a7673fbf3ba1ca46060ab2256e8a684bc5a529dc4179d09f9492e34fc95574f366dd123a532d0aec159eacfd16006880e8ee07936ab401db334 \ No newline at end of file diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py index 165ba2a0c09..6d0477755cc 100644 --- a/tests/regression_tests/filter_mesh/test.py +++ b/tests/regression_tests/filter_mesh/test.py @@ -85,6 +85,8 @@ def model(): sph_mesh_exp_vols = np.multiply.outer(drdt, dp) np.testing.assert_allclose(sph_mesh.volumes, sph_mesh_exp_vols) + hex_mesh = openmc.HexagonalMesh(z_grid = np.logspace(0, np.log10(7.5), 11), pitch = 5, num_rings = 6) + # Create filters reg_filters = [ openmc.MeshFilter(mesh_1d), @@ -92,7 +94,8 @@ def model(): openmc.MeshFilter(mesh_3d), openmc.MeshFilter(recti_mesh), openmc.MeshFilter(cyl_mesh), - openmc.MeshFilter(sph_mesh) + openmc.MeshFilter(sph_mesh), + openmc.MeshFilter(hex_mesh), ] surf_filters = [ openmc.MeshSurfaceFilter(mesh_1d), @@ -100,7 +103,8 @@ def model(): openmc.MeshSurfaceFilter(mesh_3d), openmc.MeshSurfaceFilter(recti_mesh), openmc.MeshSurfaceFilter(cyl_mesh), - openmc.MeshSurfaceFilter(sph_mesh) + openmc.MeshSurfaceFilter(sph_mesh), + openmc.MeshSurfaceFilter(hex_mesh), ] # Create tallies From 85573fc0ff9081d509bcf0244b41bc0e4dc5b5b1 Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 19:44:16 +0200 Subject: [PATCH 07/46] wip --- include/openmc/mesh.h | 37 ++++++ src/mesh.cpp | 112 +++++++++++++----- src/tallies/tally_scoring.cpp | 9 +- .../filter_mesh/inputs_true.dat | 18 +++ 4 files changed, 141 insertions(+), 35 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index f80f6e171ac..8a558845ae6 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -366,6 +366,19 @@ class StructuredMesh : public Mesh { //! \return Array of mesh indices virtual MeshIndex get_indices(Position r, bool& in_mesh) const; + //! Check if mesh indices are inside mesh + // + //! \param[in] Array of mesh indices + //! \return are indices inside mesh? + virtual bool in_mesh(const MeshIndex& ijk) const + { + for (int j = 0; j < 3; ++j) { + if ((ijk[j] < 1) || (ijk[j] > shape_[j])) + return false; + } + return true; + } + //! Get mesh indices corresponding to a mesh bin // //! \param[in] bin Mesh bin @@ -418,6 +431,10 @@ class StructuredMesh : public Mesh { virtual MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const = 0; + virtual double distance_to_mesh(const MeshIndex& ijk, + const std::array& distances, double traveled_distance, + int& k_max) const; + //! Get a label for the mesh bin std::string bin_label(int bin) const override; @@ -454,6 +471,7 @@ class StructuredMesh : public Mesh { // Data members std::array shape_; //!< Number of mesh elements in each dimension + std::vector> correlated_axes_ = {{0}, {1}, {2}}; protected: }; @@ -718,8 +736,23 @@ class HexagonalMesh : public PeriodicStructuredMesh { // Overridden methods int get_bin(Position r) const override; + int n_bins() const override; + + int n_surface_bins() const override; + MeshIndex get_indices(Position r, bool& in_mesh) const override; + bool in_mesh(const MeshIndex& ijk) const override + { + if ((ijk[2] < 1) || ijk[2] >= grid_.size()) + return false; + int rad = + std::max({std::abs(ijk[0]), std::abs(ijk[1]), std::abs(ijk[0] + ijk[1])}); + if (rad > radius_) + return false; + return true; + } + int get_bin_from_indices(const MeshIndex& ijk) const override; std::string get_mesh_type() const override; @@ -733,6 +766,10 @@ class HexagonalMesh : public PeriodicStructuredMesh { MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, const Position& r0, const Direction& u, double l) const override; + double distance_to_mesh(const MeshIndex& ijk, + const std::array& distances, double traveled_distance, + int& k_max) const override; + std::pair, vector> plot( Position plot_ll, Position plot_ur) const override; diff --git a/src/mesh.cpp b/src/mesh.cpp index 71e2d15795b..f5a01d824d7 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -1166,26 +1166,26 @@ void StructuredMesh::raytrace_mesh( const int n = n_neighbors(); // Flag if position is inside the mesh - bool in_mesh; + bool inside_mesh; // Position is r = r0 + u * traveled_distance, start at r0 double traveled_distance {0.0}; // Calculate index of current cell. Offset the position a tiny bit in // direction of flight - MeshIndex ijk = get_indices(global_r + TINY_BIT * u, in_mesh); + MeshIndex ijk = get_indices(global_r + TINY_BIT * u, inside_mesh); // if track is very short, assume that it is completely inside one cell. // Only the current cell will score and no surfaces if (total_distance < 2 * TINY_BIT) { - if (in_mesh) { + if (inside_mesh) { tally.track(ijk, 1.0); } return; } // Calculate initial distances to next surfaces in all three dimensions - std::array distances; + std::array distances; for (int k = 0; k < n; ++k) { distances[k] = distance_to_grid_boundary(ijk, k, local_r, u, 0.0); } @@ -1193,7 +1193,7 @@ void StructuredMesh::raytrace_mesh( // Loop until r = r1 is eventually reached while (true) { - if (in_mesh) { + if (inside_mesh) { // find surface with minimal distance to current position const auto k = std::min_element(distances.begin(), distances.end()) - @@ -1213,57 +1213,68 @@ void StructuredMesh::raytrace_mesh( // current tally.surface(ijk, k, distances[k].max_surface, false); - // Update cell and calculate distance to next surface in k-direction. - // The two other directions are still valid! + // Update cell and calculate distance to next surface in correlated + // directions. ijk[k] = distances[k].next_index; - distances[k] = - distance_to_grid_boundary(ijk, k, local_r, u, traveled_distance); + for (auto j : correlated_axes_[k]) + distances[j] = + distance_to_grid_boundary(ijk, j, local_r, u, traveled_distance); // Check if we have left the interior of the mesh - in_mesh = ((ijk[k] >= 1) && (ijk[k] <= shape_[k])); + inside_mesh = in_mesh(ijk); // If we are still inside the mesh, tally inward current for the next // cell - if (in_mesh) + if (inside_mesh) tally.surface(ijk, k, !distances[k].max_surface, true); } else { // not inside mesh - - // For all directions outside the mesh, find the distance that we need - // to travel to reach the next surface. Use the largest distance, as - // only this will cross all outer surfaces. - int k_max {-1}; - for (int k = 0; k < n; ++k) { - if ((ijk[k] < 1 || ijk[k] > shape_[k]) && - (distances[k].distance > traveled_distance)) { - traveled_distance = distances[k].distance; - k_max = k; - } - } - // Assure some distance is traveled - if (k_max == -1) { - traveled_distance += TINY_BIT; - } - + int k_max; + traveled_distance = + distance_to_mesh(ijk, distances, traveled_distance, k_max); // If r1 is not inside the mesh, exit here if (traveled_distance >= total_distance) return; // Calculate the new cell index and update all distances to next // surfaces. - ijk = get_indices(global_r + (traveled_distance + TINY_BIT) * u, in_mesh); + ijk = + get_indices(global_r + (traveled_distance + TINY_BIT) * u, inside_mesh); for (int k = 0; k < n; ++k) { distances[k] = distance_to_grid_boundary(ijk, k, local_r, u, traveled_distance); } // If inside the mesh, Tally inward current - if (in_mesh && k_max >= 0) + if (inside_mesh && k_max >= 0) tally.surface(ijk, k_max, !distances[k_max].max_surface, true); } } } +double StructuredMesh::distance_to_mesh(const MeshIndex& ijk, + const std::array& distances, double traveled_distance, + int& k_max) const +{ + // For all directions outside the mesh, find the distance that we need + // to travel to reach the next surface. Use the largest distance, as + // only this will cross all outer surfaces. + const int n = n_neighbors(); + k_max = -1; + for (int k = 0; k < n; ++k) { + if ((ijk[k] < 1 || ijk[k] > shape_[k]) && + (distances[k].distance > traveled_distance)) { + traveled_distance = distances[k].distance; + k_max = k; + } + } + // Assure some distance is traveled + if (k_max == -1) { + traveled_distance += TINY_BIT; + } + return traveled_distance; +} + void StructuredMesh::bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const { @@ -2392,6 +2403,7 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { n_dimension_ = 3; + correlated_axes_ = {{0, 1, 2}, {0, 1, 2}, {0, 1, 2}, {3}}; grid_ = get_node_array(node, "grid"); radius_ = std::stoi(get_node_value(node, "radius")); size_ = std::stod(get_node_value(node, "size")); @@ -2415,6 +2427,7 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) HexagonalMesh::HexagonalMesh(hid_t group) : PeriodicStructuredMesh {group} { n_dimension_ = 3; + correlated_axes_ = {{0, 1, 2}, {0, 1, 2}, {0, 1, 2}, {3}}; read_dataset(group, "grid", grid_); read_attribute(group, "radius", radius_); read_attribute(group, "size", size_); @@ -2453,6 +2466,16 @@ int HexagonalMesh::get_bin(Position r) const return get_bin_from_indices(ijk); } +int HexagonalMesh::n_bins() const +{ + return (1 + 3 * (radius_ + 1) * radius_) * grid_.size() - 1; +} + +int HexagonalMesh::n_surface_bins() const +{ + return 4 * 4 * n_bins(); +} + int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const { int r = ijk[0]; @@ -2622,6 +2645,35 @@ StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( return d; } +double HexagonalMesh::distance_to_mesh(const MeshIndex& ijk, + const std::array& distances, double traveled_distance, + int& k_max) const +{ + // For all directions outside the mesh, find the distance that we need + // to travel to reach the next surface. Use the largest distance, as + // only this will cross all outer surfaces. + const int n = n_neighbors(); + k_max = -1; + + for (int k = 0; k < n; ++k) { + if (distances[k].distance <= traveled_distance) + continue; + if ((k < 2) && (std::abs(ijk[k]) <= radius_)) + continue; + if ((k == 2) && std::abs(ijk[0] + ijk[1]) <= radius_) + continue; + if ((k == 3) && ijk[2] >= 1 && ijk[2] < grid_.size()) + continue; + traveled_distance = distances[k].distance; + k_max = k; + } + // Assure some distance is traveled + if (k_max == -1) { + traveled_distance += TINY_BIT; + } + return traveled_distance; +} + int HexagonalMesh::set_grid() { diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp index 18edccc908f..4210b034a96 100644 --- a/src/tallies/tally_scoring.cpp +++ b/src/tallies/tally_scoring.cpp @@ -1099,8 +1099,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index, apply_derivative_to_score( p, i_tally, i_nuclide, atom_density, score_bin, score); - // Update tally results - write_message(2, "fi {} si {}", filter_index, score_index); +// Update tally results #pragma omp atomic tally.results_(filter_index, score_index, TallyResult::VALUE) += score * filter_weight; @@ -2637,7 +2636,7 @@ void score_meshsurface_tally(Particle& p, const vector& tallies) // for a further scoring function. double score = current * filter_weight; for (auto score_index = 0; score_index < tally.scores_.size(); - ++score_index) { + ++score_index) { #pragma omp atomic tally.results_(filter_index, score_index, TallyResult::VALUE) += score; } @@ -2691,7 +2690,7 @@ void score_surface_tally( // Loop over scores. for (auto score_index = 0; score_index < tally.scores_.size(); - ++score_index) { + ++score_index) { auto score_bin = tally.scores_[score_index]; double score; if (score_bin == SCORE_CURRENT) { @@ -2770,7 +2769,7 @@ void score_pulse_height_tally(Particle& p, const vector& tallies) // Loop over scores. for (auto score_index = 0; score_index < tally.scores_.size(); - ++score_index) { + ++score_index) { #pragma omp atomic tally.results_(filter_index, score_index, TallyResult::VALUE) += filter_weight; diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat index 6ec95e592db..e4c6fe5e3ed 100644 --- a/tests/regression_tests/filter_mesh/inputs_true.dat +++ b/tests/regression_tests/filter_mesh/inputs_true.dat @@ -63,6 +63,10 @@ 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 0.0 0.0 0.0 + + 1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001 + 0.0 0.0 0.0 + 1 @@ -99,6 +103,12 @@ 6 + + 7 + + + 7 + 1 total @@ -147,5 +157,13 @@ 13 current + + 7 + total + + + 14 + current + From 6584472a9d7063bec22f602d49f39277346a2a31 Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 19:57:34 +0200 Subject: [PATCH 08/46] wip --- src/mesh.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index f5a01d824d7..338a876ea19 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2468,7 +2468,7 @@ int HexagonalMesh::get_bin(Position r) const int HexagonalMesh::n_bins() const { - return (1 + 3 * (radius_ + 1) * radius_) * grid_.size() - 1; + return (1 + 3 * (radius_ + 1) * radius_) * (grid_.size() - 1); } int HexagonalMesh::n_surface_bins() const From d73e4739d0282c1fc35a553feb50e6848902b122 Mon Sep 17 00:00:00 2001 From: Aviv Date: Sun, 8 Mar 2026 22:49:20 +0200 Subject: [PATCH 09/46] wip --- include/openmc/mesh.h | 37 +++--- src/mesh.cpp | 66 +++++----- .../filter_mesh/inputs_true.dat | 123 ------------------ .../filter_mesh/results_true.dat | 2 +- tests/regression_tests/filter_mesh/test.py | 30 ++--- 5 files changed, 71 insertions(+), 187 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 8a558845ae6..fdbe65c5b13 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -302,10 +302,10 @@ class StructuredMesh : public Mesh { struct MeshDistance { MeshDistance() = default; - MeshDistance(int _index, bool _max_surface, double _distance) - : next_index {_index}, max_surface {_max_surface}, distance {_distance} + MeshDistance(MeshIndex _offset, bool _max_surface, double _distance) + : offset {_offset}, max_surface {_max_surface}, distance {_distance} {} - int next_index {-1}; + MeshIndex offset {0, 0, 0}; bool max_surface {true}; double distance {INFTY}; bool operator<(const MeshDistance& o) const @@ -314,6 +314,8 @@ class StructuredMesh : public Mesh { } }; + virtual void sanitize_index(MeshIndex idx) const {}; + Position sample_element(int32_t bin, uint64_t* seed) const override { return sample_element(get_indices_from_bin(bin), seed); @@ -370,13 +372,9 @@ class StructuredMesh : public Mesh { // //! \param[in] Array of mesh indices //! \return are indices inside mesh? - virtual bool in_mesh(const MeshIndex& ijk) const + virtual bool index_inside_mesh(const MeshIndex& ijk, int k) const { - for (int j = 0; j < 3; ++j) { - if ((ijk[j] < 1) || (ijk[j] > shape_[j])) - return false; - } - return true; + return ((ijk[k] >= 1) && (ijk[k] <= shape_[k])); } //! Get mesh indices corresponding to a mesh bin @@ -600,6 +598,11 @@ class CylindricalMesh : public PeriodicStructuredMesh { CylindricalMesh(hid_t group); // Overridden methods + void sanitize_index(MeshIndex idx) const override + { + idx[1] = sanitize_phi(idx[1]); + } + virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; int get_index_in_direction(double r, int i) const override; @@ -665,6 +668,12 @@ class SphericalMesh : public PeriodicStructuredMesh { SphericalMesh(hid_t group); // Overridden methods + void sanitize_index(MeshIndex idx) const override + { + idx[1] = sanitize_theta(idx[1]); + idx[2] = sanitize_phi(idx[2]); + } + virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; int get_index_in_direction(double r, int i) const override; @@ -742,15 +751,13 @@ class HexagonalMesh : public PeriodicStructuredMesh { MeshIndex get_indices(Position r, bool& in_mesh) const override; - bool in_mesh(const MeshIndex& ijk) const override + bool index_inside_mesh(const MeshIndex& ijk, int k) const override { - if ((ijk[2] < 1) || ijk[2] >= grid_.size()) - return false; + if (k==3) + return ((ijk[2] >= 1) && (ijk[2] < grid_.size())); int rad = std::max({std::abs(ijk[0]), std::abs(ijk[1]), std::abs(ijk[0] + ijk[1])}); - if (rad > radius_) - return false; - return true; + return (rad <= radius_); } int get_bin_from_indices(const MeshIndex& ijk) const override; diff --git a/src/mesh.cpp b/src/mesh.cpp index 338a876ea19..075e6c1a184 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -1191,8 +1191,9 @@ void StructuredMesh::raytrace_mesh( } // Loop until r = r1 is eventually reached + int iteration; while (true) { - + write_message(2, "traveled_distance {} iter {}", traveled_distance, ++iteration); if (inside_mesh) { // find surface with minimal distance to current position @@ -1215,13 +1216,15 @@ void StructuredMesh::raytrace_mesh( // Update cell and calculate distance to next surface in correlated // directions. - ijk[k] = distances[k].next_index; + for (int j=0;j<3;++j) + ijk[j] += distances[k].offset[j]; + sanitize_index(ijk); for (auto j : correlated_axes_[k]) distances[j] = distance_to_grid_boundary(ijk, j, local_r, u, traveled_distance); // Check if we have left the interior of the mesh - inside_mesh = in_mesh(ijk); + inside_mesh = index_inside_mesh(ijk, k); // If we are still inside the mesh, tally inward current for the next // cell @@ -1510,16 +1513,15 @@ StructuredMesh::MeshDistance RegularMesh::distance_to_grid_boundary( double l) const { MeshDistance d; - d.next_index = ijk[i]; if (std::abs(u[i]) < FP_PRECISION) return d; d.max_surface = (u[i] > 0); if (d.max_surface && (ijk[i] <= shape_[i])) { - d.next_index++; + ++d.offset[i]; d.distance = (positive_grid_boundary(ijk, i) - r0[i]) / u[i]; } else if (!d.max_surface && (ijk[i] >= 1)) { - d.next_index--; + --d.offset[i]; d.distance = (negative_grid_boundary(ijk, i) - r0[i]) / u[i]; } @@ -1683,16 +1685,15 @@ StructuredMesh::MeshDistance RectilinearMesh::distance_to_grid_boundary( double l) const { MeshDistance d; - d.next_index = ijk[i]; if (std::abs(u[i]) < FP_PRECISION) return d; d.max_surface = (u[i] > 0); if (d.max_surface && (ijk[i] <= shape_[i])) { - d.next_index++; + ++d.offset[i]; d.distance = (positive_grid_boundary(ijk, i) - r0[i]) / u[i]; } else if (!d.max_surface && (ijk[i] > 0)) { - d.next_index--; + --d.offset[i]; d.distance = (negative_grid_boundary(ijk, i) - r0[i]) / u[i]; } return d; @@ -1945,18 +1946,17 @@ StructuredMesh::MeshDistance CylindricalMesh::find_z_crossing( const Position& r, const Direction& u, double l, int shell) const { MeshDistance d; - d.next_index = shell; - + // Direction of flight is within xy-plane. Will never intersect z. if (std::abs(u.z) < FP_PRECISION) return d; d.max_surface = (u.z > 0.0); if (d.max_surface && (shell <= shape_[2])) { - d.next_index += 1; + ++d.offset[2]; d.distance = (grid_[2][shell] - r.z) / u.z; } else if (!d.max_surface && (shell > 0)) { - d.next_index -= 1; + --d.offset[2]; d.distance = (grid_[2][shell - 1] - r.z) / u.z; } return d; @@ -1967,16 +1967,15 @@ StructuredMesh::MeshDistance CylindricalMesh::distance_to_grid_boundary( double l) const { if (i == 0) { - return std::min( - MeshDistance(ijk[i] + 1, true, find_r_crossing(r0, u, l, ijk[i])), - MeshDistance(ijk[i] - 1, false, find_r_crossing(r0, u, l, ijk[i] - 1))); + MeshDistance({1,0,0}, true, find_r_crossing(r0, u, l, ijk[i])), + MeshDistance({-1,0,0}, false, find_r_crossing(r0, u, l, ijk[i] - 1))); } else if (i == 1) { - return std::min(MeshDistance(sanitize_phi(ijk[i] + 1), true, + return std::min(MeshDistance({0,1,0}, true, find_phi_crossing(r0, u, l, ijk[i])), - MeshDistance(sanitize_phi(ijk[i] - 1), false, + MeshDistance({0,-1,0}, false, find_phi_crossing(r0, u, l, ijk[i] - 1))); } else { @@ -2294,19 +2293,19 @@ StructuredMesh::MeshDistance SphericalMesh::distance_to_grid_boundary( if (i == 0) { return std::min( - MeshDistance(ijk[i] + 1, true, find_r_crossing(r0, u, l, ijk[i])), - MeshDistance(ijk[i] - 1, false, find_r_crossing(r0, u, l, ijk[i] - 1))); + MeshDistance({1,0,0}, true, find_r_crossing(r0, u, l, ijk[i])), + MeshDistance({-1,0,0}, false, find_r_crossing(r0, u, l, ijk[i] - 1))); } else if (i == 1) { - return std::min(MeshDistance(sanitize_theta(ijk[i] + 1), true, + return std::min(MeshDistance({0,1,0}, true, find_theta_crossing(r0, u, l, ijk[i])), - MeshDistance(sanitize_theta(ijk[i] - 1), false, + MeshDistance({0,-1,0}, false, find_theta_crossing(r0, u, l, ijk[i] - 1))); } else { - return std::min(MeshDistance(sanitize_phi(ijk[i] + 1), true, + return std::min(MeshDistance({0,0,1}, true, find_phi_crossing(r0, u, l, ijk[i])), - MeshDistance(sanitize_phi(ijk[i] - 1), false, + MeshDistance({0,0,-1}, false, find_phi_crossing(r0, u, l, ijk[i] - 1))); } } @@ -2573,18 +2572,17 @@ StructuredMesh::MeshDistance HexagonalMesh::find_z_crossing( const Position& r, const Direction& u, double l, int shell) const { MeshDistance d; - d.next_index = shell; - + // Direction of flight is within xy-plane. Will never intersect z. if (std::abs(u.z) < FP_PRECISION) return d; d.max_surface = (u.z > 0.0); if (d.max_surface && (shell < grid_.size())) { - ++d.next_index; + ++d.offset[2]; d.distance = (grid_[shell] - r.z) / u.z; } else if (!d.max_surface && (shell > 0)) { - --d.next_index; + --d.offset[2]; d.distance = (grid_[shell - 1] - r.z) / u.z; } return d; @@ -2605,7 +2603,6 @@ StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( MeshIndex idx = {ijk[0], ijk[1], -ijk[0] - ijk[1]}; MeshIndex offset = {0, 0, 0}; double distance; - d.next_index = idx[i]; if (i == 0) { dir = 0.5 * (q_ - r_); ++offset[0]; @@ -2616,12 +2613,13 @@ StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( --offset[2]; } else { dir = 0.5 * (s_ - q_); - ++offset[2]; --offset[0]; + ++offset[2]; } dir /= dir.norm(); if (std::abs(u.dot(dir)) < FP_PRECISION) return d; + d.max_surface = (u.dot(dir) > 0.0); if (d.max_surface) { distance = (idx[0] * q_ + idx[1] * r_ - r).norm() / u.dot(dir); @@ -2632,14 +2630,16 @@ StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( idx[0] -= offset[0]; idx[1] -= offset[1]; idx[2] -= offset[2]; - distance = (idx[0] * q_ + idx[1] * r_ - r).norm() / u.dot(dir); + distance = -(idx[0] * q_ + idx[1] * r_ - r).norm() / u.dot(dir); } int radius = std::max({std::abs(idx[0]), std::abs(idx[1]), std::abs(idx[2])}); if (d.max_surface && radius <= radius_) { - ++d.next_index; + d.offset[0] += offset[0]; + d.offset[1] += offset[1]; d.distance = distance; } else if (!d.max_surface && radius <= radius_) { - --d.next_index; + d.offset[0] -= offset[0]; + d.offset[1] -= offset[1]; d.distance = distance; } return d; diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat index e4c6fe5e3ed..fcac112a261 100644 --- a/tests/regression_tests/filter_mesh/inputs_true.dat +++ b/tests/regression_tests/filter_mesh/inputs_true.dat @@ -31,139 +31,16 @@ 0 - - 5 - -7.5 - 7.5 - - - 5 5 - -7.5 -7.5 - 7.5 7.5 - - - 5 5 5 - -7.5 -7.5 -7.5 - 7.5 7.5 7.5 - - - -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 - -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 - 1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001 - - - 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 - 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 - 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5 8.4375 9.375 10.3125 11.25 12.1875 13.125 14.0625 15.0 - 0.0 0.0 -7.5 - - - 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 - 0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793 - 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 - 0.0 0.0 0.0 - 1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001 0.0 0.0 0.0 - 1 - - - 1 - - - 2 - - - 2 - - - 3 - - - 3 - - - 4 - - - 4 - - - 5 - - - 5 - - - 6 - - - 6 - - - 7 - - 7 1 total - - 8 - current - - - 2 - total - - - 9 - current - - - 3 - total - - - 10 - current - - - 4 - total - - - 11 - current - - - 5 - total - - - 12 - current - - - 6 - total - - - 13 - current - - - 7 - total - - - 14 - current - diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat index 6224d046ce7..9d85621c96e 100644 --- a/tests/regression_tests/filter_mesh/results_true.dat +++ b/tests/regression_tests/filter_mesh/results_true.dat @@ -1 +1 @@ -d6808f0ab02f8a7673fbf3ba1ca46060ab2256e8a684bc5a529dc4179d09f9492e34fc95574f366dd123a532d0aec159eacfd16006880e8ee07936ab401db334 \ No newline at end of file +c1a07c567380add7095b683c2c54322e62abb430daa5c18b868cd88c3f158d4ef2e23657331a6715898176343e23c29a210d666a008a16ac7de3a60ba4d7b328 \ No newline at end of file diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py index 6d0477755cc..207a994d3cc 100644 --- a/tests/regression_tests/filter_mesh/test.py +++ b/tests/regression_tests/filter_mesh/test.py @@ -89,35 +89,35 @@ def model(): # Create filters reg_filters = [ - openmc.MeshFilter(mesh_1d), - openmc.MeshFilter(mesh_2d), - openmc.MeshFilter(mesh_3d), - openmc.MeshFilter(recti_mesh), - openmc.MeshFilter(cyl_mesh), - openmc.MeshFilter(sph_mesh), + #openmc.MeshFilter(mesh_1d), + #openmc.MeshFilter(mesh_2d), + #openmc.MeshFilter(mesh_3d), + #openmc.MeshFilter(recti_mesh), + #openmc.MeshFilter(cyl_mesh), + #openmc.MeshFilter(sph_mesh), openmc.MeshFilter(hex_mesh), ] surf_filters = [ - openmc.MeshSurfaceFilter(mesh_1d), - openmc.MeshSurfaceFilter(mesh_2d), - openmc.MeshSurfaceFilter(mesh_3d), - openmc.MeshSurfaceFilter(recti_mesh), - openmc.MeshSurfaceFilter(cyl_mesh), - openmc.MeshSurfaceFilter(sph_mesh), - openmc.MeshSurfaceFilter(hex_mesh), + #openmc.MeshSurfaceFilter(mesh_1d), + #openmc.MeshSurfaceFilter(mesh_2d), + #openmc.MeshSurfaceFilter(mesh_3d), + #openmc.MeshSurfaceFilter(recti_mesh), + #openmc.MeshSurfaceFilter(cyl_mesh), + #openmc.MeshSurfaceFilter(sph_mesh), + #openmc.MeshSurfaceFilter(hex_mesh), ] # Create tallies - for f1, f2 in zip(reg_filters, surf_filters): + for f1 in reg_filters: tally = openmc.Tally() tally.filters = [f1] tally.scores = ['total'] model.tallies.append(tally) + for f2 in surf_filters: tally = openmc.Tally() tally.filters = [f2] tally.scores = ['current'] model.tallies.append(tally) - return model From c0aae43ec8a0b5e48ac9425b273c9197405eb400 Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 23:42:23 +0200 Subject: [PATCH 10/46] restore original test --- tests/regression_tests/filter_mesh/test.py | 32 ++++++++++------------ 1 file changed, 14 insertions(+), 18 deletions(-) diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py index 207a994d3cc..165ba2a0c09 100644 --- a/tests/regression_tests/filter_mesh/test.py +++ b/tests/regression_tests/filter_mesh/test.py @@ -85,39 +85,35 @@ def model(): sph_mesh_exp_vols = np.multiply.outer(drdt, dp) np.testing.assert_allclose(sph_mesh.volumes, sph_mesh_exp_vols) - hex_mesh = openmc.HexagonalMesh(z_grid = np.logspace(0, np.log10(7.5), 11), pitch = 5, num_rings = 6) - # Create filters reg_filters = [ - #openmc.MeshFilter(mesh_1d), - #openmc.MeshFilter(mesh_2d), - #openmc.MeshFilter(mesh_3d), - #openmc.MeshFilter(recti_mesh), - #openmc.MeshFilter(cyl_mesh), - #openmc.MeshFilter(sph_mesh), - openmc.MeshFilter(hex_mesh), + openmc.MeshFilter(mesh_1d), + openmc.MeshFilter(mesh_2d), + openmc.MeshFilter(mesh_3d), + openmc.MeshFilter(recti_mesh), + openmc.MeshFilter(cyl_mesh), + openmc.MeshFilter(sph_mesh) ] surf_filters = [ - #openmc.MeshSurfaceFilter(mesh_1d), - #openmc.MeshSurfaceFilter(mesh_2d), - #openmc.MeshSurfaceFilter(mesh_3d), - #openmc.MeshSurfaceFilter(recti_mesh), - #openmc.MeshSurfaceFilter(cyl_mesh), - #openmc.MeshSurfaceFilter(sph_mesh), - #openmc.MeshSurfaceFilter(hex_mesh), + openmc.MeshSurfaceFilter(mesh_1d), + openmc.MeshSurfaceFilter(mesh_2d), + openmc.MeshSurfaceFilter(mesh_3d), + openmc.MeshSurfaceFilter(recti_mesh), + openmc.MeshSurfaceFilter(cyl_mesh), + openmc.MeshSurfaceFilter(sph_mesh) ] # Create tallies - for f1 in reg_filters: + for f1, f2 in zip(reg_filters, surf_filters): tally = openmc.Tally() tally.filters = [f1] tally.scores = ['total'] model.tallies.append(tally) - for f2 in surf_filters: tally = openmc.Tally() tally.filters = [f2] tally.scores = ['current'] model.tallies.append(tally) + return model From 553aec77a50f50b4655e7d65df0829afae17ef4d Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 23:42:42 +0200 Subject: [PATCH 11/46] restore original test --- .../filter_mesh/inputs_true.dat | 111 +++++++++++++++++- .../filter_mesh/results_true.dat | 2 +- 2 files changed, 109 insertions(+), 4 deletions(-) diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat index fcac112a261..10f70a720f2 100644 --- a/tests/regression_tests/filter_mesh/inputs_true.dat +++ b/tests/regression_tests/filter_mesh/inputs_true.dat @@ -31,16 +31,121 @@ 0 - - 1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001 + + 5 + -7.5 + 7.5 + + + 5 5 + -7.5 -7.5 + 7.5 7.5 + + + 5 5 5 + -7.5 -7.5 -7.5 + 7.5 7.5 7.5 + + + -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 + -7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5 + 1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001 + + + 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 + 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 + 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5 8.4375 9.375 10.3125 11.25 12.1875 13.125 14.0625 15.0 + 0.0 0.0 -7.5 + + + 0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5 + 0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793 + 0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586 0.0 0.0 0.0 - 7 + 1 + + + 1 + + + 2 + + + 2 + + + 3 + + + 3 + + + 4 + + + 4 + + + 5 + + + 5 + + + 6 + + + 6 1 total + + 7 + current + + + 2 + total + + + 8 + current + + + 3 + total + + + 9 + current + + + 4 + total + + + 10 + current + + + 5 + total + + + 11 + current + + + 6 + total + + + 12 + current + diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat index 9d85621c96e..ceec0b62a25 100644 --- a/tests/regression_tests/filter_mesh/results_true.dat +++ b/tests/regression_tests/filter_mesh/results_true.dat @@ -1 +1 @@ -c1a07c567380add7095b683c2c54322e62abb430daa5c18b868cd88c3f158d4ef2e23657331a6715898176343e23c29a210d666a008a16ac7de3a60ba4d7b328 \ No newline at end of file +b788882baaacb433a9f45e4d469e45761f68866b94a37cce5f8f150b56a8d470412dd5311d388f3df05e0a94d6dea08ce0abd9be83543e08654992119c36a560 \ No newline at end of file From b90e6075aeebf358dd703bb1c6dd01521c28e861 Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 23:43:19 +0200 Subject: [PATCH 12/46] clang format --- include/openmc/mesh.h | 6 +++--- src/mesh.cpp | 41 ++++++++++++++++++++--------------------- 2 files changed, 23 insertions(+), 24 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index fdbe65c5b13..a564961d6ed 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -315,7 +315,7 @@ class StructuredMesh : public Mesh { }; virtual void sanitize_index(MeshIndex idx) const {}; - + Position sample_element(int32_t bin, uint64_t* seed) const override { return sample_element(get_indices_from_bin(bin), seed); @@ -602,7 +602,7 @@ class CylindricalMesh : public PeriodicStructuredMesh { { idx[1] = sanitize_phi(idx[1]); } - + virtual MeshIndex get_indices(Position r, bool& in_mesh) const override; int get_index_in_direction(double r, int i) const override; @@ -753,7 +753,7 @@ class HexagonalMesh : public PeriodicStructuredMesh { bool index_inside_mesh(const MeshIndex& ijk, int k) const override { - if (k==3) + if (k == 3) return ((ijk[2] >= 1) && (ijk[2] < grid_.size())); int rad = std::max({std::abs(ijk[0]), std::abs(ijk[1]), std::abs(ijk[0] + ijk[1])}); diff --git a/src/mesh.cpp b/src/mesh.cpp index 075e6c1a184..8f8d27db0e1 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -1193,7 +1193,8 @@ void StructuredMesh::raytrace_mesh( // Loop until r = r1 is eventually reached int iteration; while (true) { - write_message(2, "traveled_distance {} iter {}", traveled_distance, ++iteration); + write_message( + 2, "traveled_distance {} iter {}", traveled_distance, ++iteration); if (inside_mesh) { // find surface with minimal distance to current position @@ -1216,8 +1217,8 @@ void StructuredMesh::raytrace_mesh( // Update cell and calculate distance to next surface in correlated // directions. - for (int j=0;j<3;++j) - ijk[j] += distances[k].offset[j]; + for (int j = 0; j < 3; ++j) + ijk[j] += distances[k].offset[j]; sanitize_index(ijk); for (auto j : correlated_axes_[k]) distances[j] = @@ -1946,7 +1947,7 @@ StructuredMesh::MeshDistance CylindricalMesh::find_z_crossing( const Position& r, const Direction& u, double l, int shell) const { MeshDistance d; - + // Direction of flight is within xy-plane. Will never intersect z. if (std::abs(u.z) < FP_PRECISION) return d; @@ -1968,15 +1969,14 @@ StructuredMesh::MeshDistance CylindricalMesh::distance_to_grid_boundary( { if (i == 0) { return std::min( - MeshDistance({1,0,0}, true, find_r_crossing(r0, u, l, ijk[i])), - MeshDistance({-1,0,0}, false, find_r_crossing(r0, u, l, ijk[i] - 1))); + MeshDistance({1, 0, 0}, true, find_r_crossing(r0, u, l, ijk[i])), + MeshDistance({-1, 0, 0}, false, find_r_crossing(r0, u, l, ijk[i] - 1))); } else if (i == 1) { - return std::min(MeshDistance({0,1,0}, true, - find_phi_crossing(r0, u, l, ijk[i])), - MeshDistance({0,-1,0}, false, - find_phi_crossing(r0, u, l, ijk[i] - 1))); + return std::min( + MeshDistance({0, 1, 0}, true, find_phi_crossing(r0, u, l, ijk[i])), + MeshDistance({0, -1, 0}, false, find_phi_crossing(r0, u, l, ijk[i] - 1))); } else { return find_z_crossing(r0, u, l, ijk[i]); @@ -2293,20 +2293,19 @@ StructuredMesh::MeshDistance SphericalMesh::distance_to_grid_boundary( if (i == 0) { return std::min( - MeshDistance({1,0,0}, true, find_r_crossing(r0, u, l, ijk[i])), - MeshDistance({-1,0,0}, false, find_r_crossing(r0, u, l, ijk[i] - 1))); + MeshDistance({1, 0, 0}, true, find_r_crossing(r0, u, l, ijk[i])), + MeshDistance({-1, 0, 0}, false, find_r_crossing(r0, u, l, ijk[i] - 1))); } else if (i == 1) { - return std::min(MeshDistance({0,1,0}, true, - find_theta_crossing(r0, u, l, ijk[i])), - MeshDistance({0,-1,0}, false, - find_theta_crossing(r0, u, l, ijk[i] - 1))); + return std::min( + MeshDistance({0, 1, 0}, true, find_theta_crossing(r0, u, l, ijk[i])), + MeshDistance( + {0, -1, 0}, false, find_theta_crossing(r0, u, l, ijk[i] - 1))); } else { - return std::min(MeshDistance({0,0,1}, true, - find_phi_crossing(r0, u, l, ijk[i])), - MeshDistance({0,0,-1}, false, - find_phi_crossing(r0, u, l, ijk[i] - 1))); + return std::min( + MeshDistance({0, 0, 1}, true, find_phi_crossing(r0, u, l, ijk[i])), + MeshDistance({0, 0, -1}, false, find_phi_crossing(r0, u, l, ijk[i] - 1))); } } @@ -2572,7 +2571,7 @@ StructuredMesh::MeshDistance HexagonalMesh::find_z_crossing( const Position& r, const Direction& u, double l, int shell) const { MeshDistance d; - + // Direction of flight is within xy-plane. Will never intersect z. if (std::abs(u.z) < FP_PRECISION) return d; From 4f9b1c1f457902ac34ebc9fc903ab30d63d539bd Mon Sep 17 00:00:00 2001 From: GuySten Date: Sun, 8 Mar 2026 23:58:14 +0200 Subject: [PATCH 13/46] revert test --- tests/regression_tests/filter_mesh/results_true.dat | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat index ceec0b62a25..34e99c17e24 100644 --- a/tests/regression_tests/filter_mesh/results_true.dat +++ b/tests/regression_tests/filter_mesh/results_true.dat @@ -1 +1 @@ -b788882baaacb433a9f45e4d469e45761f68866b94a37cce5f8f150b56a8d470412dd5311d388f3df05e0a94d6dea08ce0abd9be83543e08654992119c36a560 \ No newline at end of file +e07ed2bc8893c69721abf61b123336f1f6128a3bee6ec63b84d1f549f31707a74a6ce885091ccc0eac6b7f16f7cab39ede4784584c08825829e108de878ea5fb \ No newline at end of file From 4adb36bf8ce1ed921f216a439888a81ac9b02c2a Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 00:01:39 +0200 Subject: [PATCH 14/46] remove print --- src/mesh.cpp | 3 --- 1 file changed, 3 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 8f8d27db0e1..487d206d178 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -1191,10 +1191,7 @@ void StructuredMesh::raytrace_mesh( } // Loop until r = r1 is eventually reached - int iteration; while (true) { - write_message( - 2, "traveled_distance {} iter {}", traveled_distance, ++iteration); if (inside_mesh) { // find surface with minimal distance to current position From c03adda9510ac90ee93ad437256661054bad05fe Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 00:06:48 +0200 Subject: [PATCH 15/46] removed hashed test --- .../filter_mesh/results_true.dat | 269849 ++++++++++++++- tests/regression_tests/filter_mesh/test.py | 4 +- 2 files changed, 269850 insertions(+), 3 deletions(-) diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat index 34e99c17e24..6c6c327b29d 100644 --- a/tests/regression_tests/filter_mesh/results_true.dat +++ b/tests/regression_tests/filter_mesh/results_true.dat @@ -1 +1,269848 @@ -e07ed2bc8893c69721abf61b123336f1f6128a3bee6ec63b84d1f549f31707a74a6ce885091ccc0eac6b7f16f7cab39ede4784584c08825829e108de878ea5fb \ No newline at end of file +k-combined: +7.729082E-01 3.775399E-02 +tally 1: +9.554044E-01 +1.834563E-01 +3.040201E+00 +1.848613E+00 +3.801771E+00 +3.033636E+00 +2.988964E+00 +1.789849E+00 +9.354079E-01 +1.753685E-01 +tally 2: +1.695000E+00 +5.765990E-01 +1.295000E+00 +3.368390E-01 +1.244000E+00 +3.112420E-01 +2.069000E+00 +8.578630E-01 +2.069000E+00 +8.578630E-01 +1.244000E+00 +3.112420E-01 +1.590000E+00 +5.151560E-01 +2.304000E+00 +1.094196E+00 +2.304000E+00 +1.094196E+00 +1.590000E+00 +5.151560E-01 +2.215000E+00 +1.006819E+00 +1.601000E+00 +5.286910E-01 +1.601000E+00 +5.286910E-01 +2.215000E+00 +1.006819E+00 +2.043000E+00 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+4.000000E-03 +4.000000E-06 +4.000000E-03 +6.000000E-06 diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py index 165ba2a0c09..2698a5640be 100644 --- a/tests/regression_tests/filter_mesh/test.py +++ b/tests/regression_tests/filter_mesh/test.py @@ -4,7 +4,7 @@ import openmc import pytest -from tests.testing_harness import HashedPyAPITestHarness +from tests.testing_harness import PyAPITestHarness @pytest.fixture @@ -118,5 +118,5 @@ def model(): def test_filter_mesh(model): - harness = HashedPyAPITestHarness('statepoint.5.h5', model) + harness = PyAPITestHarness('statepoint.5.h5', model) harness.main() From 7b0e36570a91e8075683e0f3a0d26589042e45b4 Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 00:32:55 +0200 Subject: [PATCH 16/46] another fix --- include/openmc/mesh.h | 6 +- .../filter_mesh/results_true.dat | 269849 +-------------- tests/regression_tests/filter_mesh/test.py | 4 +- 3 files changed, 6 insertions(+), 269853 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index a564961d6ed..a8dc36881cc 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -314,7 +314,7 @@ class StructuredMesh : public Mesh { } }; - virtual void sanitize_index(MeshIndex idx) const {}; + virtual void sanitize_index(MeshIndex& idx) const {}; Position sample_element(int32_t bin, uint64_t* seed) const override { @@ -598,7 +598,7 @@ class CylindricalMesh : public PeriodicStructuredMesh { CylindricalMesh(hid_t group); // Overridden methods - void sanitize_index(MeshIndex idx) const override + void sanitize_index(MeshIndex& idx) const override { idx[1] = sanitize_phi(idx[1]); } @@ -668,7 +668,7 @@ class SphericalMesh : public PeriodicStructuredMesh { SphericalMesh(hid_t group); // Overridden methods - void sanitize_index(MeshIndex idx) const override + void sanitize_index(MeshIndex& idx) const override { idx[1] = sanitize_theta(idx[1]); idx[2] = sanitize_phi(idx[2]); diff --git 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+e07ed2bc8893c69721abf61b123336f1f6128a3bee6ec63b84d1f549f31707a74a6ce885091ccc0eac6b7f16f7cab39ede4784584c08825829e108de878ea5fb \ No newline at end of file diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py index 2698a5640be..165ba2a0c09 100644 --- a/tests/regression_tests/filter_mesh/test.py +++ b/tests/regression_tests/filter_mesh/test.py @@ -4,7 +4,7 @@ import openmc import pytest -from tests.testing_harness import PyAPITestHarness +from tests.testing_harness import HashedPyAPITestHarness @pytest.fixture @@ -118,5 +118,5 @@ def model(): def test_filter_mesh(model): - harness = PyAPITestHarness('statepoint.5.h5', model) + harness = HashedPyAPITestHarness('statepoint.5.h5', model) harness.main() From c204c60f58ee4a0d1dfc281395c6ca47ad743c37 Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 00:41:22 +0200 Subject: [PATCH 17/46] format fix --- src/mesh.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 487d206d178..7b0353f5082 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -4158,7 +4158,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From 541795afc202dc987ec61289d50491daf45798e8 Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 20:16:23 +0200 Subject: [PATCH 18/46] wip --- openmc/filter.py | 37 ++++++++++++++++++++++++------------- openmc/mesh.py | 28 +++++++++++++++++++--------- 2 files changed, 43 insertions(+), 22 deletions(-) diff --git a/openmc/filter.py b/openmc/filter.py index 87aeb70c3a7..14a8e33015d 100644 --- a/openmc/filter.py +++ b/openmc/filter.py @@ -30,13 +30,6 @@ 'weight', 'meshborn', 'meshsurface', 'meshmaterial', 'reaction', ) -_CURRENT_NAMES = ( - 'x-min out', 'x-min in', 'x-max out', 'x-max in', - 'y-min out', 'y-min in', 'y-max out', 'y-max in', - 'z-min out', 'z-min in', 'z-max out', 'z-max in' -) - - class FilterMeta(ABCMeta): """Metaclass for filters that ensures class names are appropriate.""" @@ -1000,7 +993,6 @@ def get_pandas_dataframe(self, data_size, stride, **kwargs): filter_dict[mesh_key, label] = _repeat_and_tile( np.arange(idx_start, idx_start + dim_size), stride, data_size) stride *= dim_size - return pd.DataFrame(filter_dict) def to_xml_element(self): @@ -1282,15 +1274,34 @@ class MeshSurfaceFilter(MeshFilter): def shape(self): return (self.num_bins,) + @staticmethod + def _current_names(mesh): + if isinstance(mesh, openmc.HexagonalMesh): + names = [] + ax0, ax1, ax2, ax3 = mesh._axis_labels + pairs = [(ax0, ax1), (ax1, ax2), (ax2, ax0)] + for ax0, ax1 in pairs: + for minmax0, minmax1 in [('max','min'),('min','max')]: + for inout in ('out','in'): + names.append(f"{ax0}-{minmax0} {ax1}-{minmax1} {inout}") + for minmax in ('min', 'max'): + for inout in ('out','in'): + names.append(f"{ax3}-{minmax} {inout}") + return names + + names = [] + for ax in mesh._axis_labels: + for minmax in ('min', 'max'): + for inout in ('out','in'): + names.append(f"{ax}-{minmax} {inout}") + return names + @MeshFilter.mesh.setter def mesh(self, mesh): cv.check_type('filter mesh', mesh, openmc.MeshBase) self._mesh = mesh - - # Take the product of mesh indices and current names - n_dim = mesh.n_dimension self.bins = [mesh_tuple + (surf,) for mesh_tuple, surf in - product(mesh.indices, _CURRENT_NAMES[:4*n_dim])] + product(mesh.indices, self._current_names(mesh))] def get_pandas_dataframe(self, data_size, stride, **kwargs): """Builds a Pandas DataFrame for the Filter's bins. @@ -1356,7 +1367,7 @@ def get_pandas_dataframe(self, data_size, stride, **kwargs): # Generate multi-index sub-column for surface filter_dict[mesh_key, 'surf'] = _repeat_and_tile( - _CURRENT_NAMES[:n_surfs], stride, data_size) + self._current_names(self._mesh), stride, data_size) # Initialize a Pandas DataFrame from the mesh dictionary return pd.concat([df, pd.DataFrame(filter_dict)]) diff --git a/openmc/mesh.py b/openmc/mesh.py index 463d5ed050d..ef0b44a661c 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -2611,7 +2611,7 @@ def __init__( @property def _axis_labels(self): - return ('r', 'i', 'z') + return ('r', 'q', 's', 'z') @property def origin(self): @@ -2681,10 +2681,20 @@ def orientation(self, orientation): @property def indices(self): - return [(r, i, z) for z in range(self.z_grid.size - 1) - for r in range(self.num_rings) - for i in range(max(6*(self.num_rings - 1 - r), 1))] - + idx = [] + for j in range(self.z_grid.size-1): + for rad in range(self.num_rings, 0, -1): + for i in range(rad): + idx.append((i, rad-i, j)) + idx.append((rad, -i, j)) + idx.append((rad-i, -rad, j)) + idx.append((-i, i-rad, j)) + idx.append((-rad, i, j)) + idx.append((i-rad, rad, j)) + else: + idx.append((0, 0, j)) + return idx + def __repr__(self): fmt = '{0: <16}{1}{2}\n' string = super().__repr__() @@ -2704,15 +2714,15 @@ def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str): # Read and assign mesh properties mesh = cls( z_grid = group['grid'][()], - pitch = np.sqrt(3)*group['size'][()], - num_rings = group['radius'][()], + pitch = np.sqrt(3)*group.attrs['size'], + num_rings = group.attrs['radius'], mesh_id=mesh_id, name=name ) if 'origin' in group: mesh.origin = group['origin'][()] - if 'orientation' in group: - mesh.orientation = group['orientation'][()] + if 'orientation' in group.attrs: + mesh.orientation = group.attrs['orientation'] return mesh From 03ea1be09d39e3acf5f0ce9c258ceb96490f5ec7 Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 22:43:47 +0200 Subject: [PATCH 19/46] wip --- openmc/filter.py | 11 ++--------- openmc/mesh.py | 25 ++++++++----------------- 2 files changed, 10 insertions(+), 26 deletions(-) diff --git a/openmc/filter.py b/openmc/filter.py index 14a8e33015d..c20bb62a142 100644 --- a/openmc/filter.py +++ b/openmc/filter.py @@ -985,15 +985,8 @@ def get_pandas_dataframe(self, data_size, stride, **kwargs): # Append mesh ID as outermost index of multi-index mesh_key = f'mesh {self.mesh.id}' - # Determine index base (0-based for unstructured, 1-based otherwise) - idx_start = 0 if isinstance(self.mesh, openmc.UnstructuredMesh) else 1 - - # Generate a multi-index sub-column for each axis - for label, dim_size in zip(self.mesh._axis_labels, self.mesh.dimension): - filter_dict[mesh_key, label] = _repeat_and_tile( - np.arange(idx_start, idx_start + dim_size), stride, data_size) - stride *= dim_size - return pd.DataFrame(filter_dict) + columns = [(mesh_key, label) for label in self.mesh._axis_labels] + return pd.DataFrame(self.mesh.indices, columns=columns) def to_xml_element(self): """Return XML Element representing the Filter. diff --git a/openmc/mesh.py b/openmc/mesh.py index ef0b44a661c..1123d1838e5 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -529,11 +529,6 @@ class StructuredMesh(MeshBase): def __init__(self, *args, **kwargs): super().__init__(*args, **kwargs) - @property - @abstractmethod - def dimension(self): - pass - @property @abstractmethod def n_dimension(self): @@ -2646,11 +2641,7 @@ def pitch(self, pitch): @property def n_dimension(self): - return 3 - - @property - def dimension(self): - return + return 4 @property def lower_left(self): @@ -2685,14 +2676,14 @@ def indices(self): for j in range(self.z_grid.size-1): for rad in range(self.num_rings, 0, -1): for i in range(rad): - idx.append((i, rad-i, j)) - idx.append((rad, -i, j)) - idx.append((rad-i, -rad, j)) - idx.append((-i, i-rad, j)) - idx.append((-rad, i, j)) - idx.append((i-rad, rad, j)) + idx.append((i, rad-i, -rad, j)) + idx.append((rad, -i, i-rad, j)) + idx.append((rad-i, -rad, i, j)) + idx.append((-i, i-rad, rad, j)) + idx.append((-rad, i, rad-i, j)) + idx.append((i-rad, rad, -i, j)) else: - idx.append((0, 0, j)) + idx.append((0, 0, 0, j)) return idx def __repr__(self): From 44fb96d294f62962af68868381f3b24764946d18 Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 23:19:57 +0200 Subject: [PATCH 20/46] wip --- openmc/filter.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/openmc/filter.py b/openmc/filter.py index c20bb62a142..d9b499796a2 100644 --- a/openmc/filter.py +++ b/openmc/filter.py @@ -72,7 +72,7 @@ def __new__(cls, name, bases, namespace, **kwargs): def _repeat_and_tile(bins, repeat_factor, data_size): - filter_bins = np.repeat(bins, repeat_factor) + filter_bins = np.repeat(bins, repeat_factor, axis=0) tile_factor = data_size // len(filter_bins) return np.tile(filter_bins, tile_factor) @@ -986,7 +986,8 @@ def get_pandas_dataframe(self, data_size, stride, **kwargs): mesh_key = f'mesh {self.mesh.id}' columns = [(mesh_key, label) for label in self.mesh._axis_labels] - return pd.DataFrame(self.mesh.indices, columns=columns) + indices = _repeat_and_tile(self.mesh.indices, stride, data_size) + return pd.DataFrame(indices, columns=columns) def to_xml_element(self): """Return XML Element representing the Filter. From 42a835419c494f55068295f17c5d6984c2136dc3 Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 9 Mar 2026 23:31:26 +0200 Subject: [PATCH 21/46] wip --- openmc/filter.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openmc/filter.py b/openmc/filter.py index d9b499796a2..76116021da3 100644 --- a/openmc/filter.py +++ b/openmc/filter.py @@ -986,7 +986,7 @@ def get_pandas_dataframe(self, data_size, stride, **kwargs): mesh_key = f'mesh {self.mesh.id}' columns = [(mesh_key, label) for label in self.mesh._axis_labels] - indices = _repeat_and_tile(self.mesh.indices, stride, data_size) + indices = _repeat_and_tile(list(self.mesh.indices), stride, data_size) return pd.DataFrame(indices, columns=columns) def to_xml_element(self): From a6ac1ca1caaea42c4e44cecfc329a03eca43cb64 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 00:43:22 +0200 Subject: [PATCH 22/46] wip --- src/mesh.cpp | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 7b0353f5082..e87a6e6def4 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2618,15 +2618,15 @@ StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( d.max_surface = (u.dot(dir) > 0.0); if (d.max_surface) { - distance = (idx[0] * q_ + idx[1] * r_ - r).norm() / u.dot(dir); + distance = (idx[0] * q_ + idx[1] * r_ + dir - r).norm() / u.dot(dir); idx[0] += offset[0]; idx[1] += offset[1]; idx[2] += offset[2]; } else { + distance = -(idx[0] * q_ + idx[1] * r_ - dir - r).norm() / u.dot(dir); idx[0] -= offset[0]; idx[1] -= offset[1]; idx[2] -= offset[2]; - distance = -(idx[0] * q_ + idx[1] * r_ - r).norm() / u.dot(dir); } int radius = std::max({std::abs(idx[0]), std::abs(idx[1]), std::abs(idx[2])}); if (d.max_surface && radius <= radius_) { @@ -2676,13 +2676,13 @@ int HexagonalMesh::set_grid() if (orientation_ == Orientation::y) { q_ = {0.0, -1.0, 0.0}; r_ = {0.5 * std::sqrt(3.0), 0.5, 0.0}; - q_dual_ = {1.0 / std::sqrt(3.0), 2.0 / std::sqrt(3.0), 0.0}; - r_dual_ = {-1.0, 0.0, 0.0}; + q_dual_ = {1.0 / std::sqrt(3.0), -1.0, 0.0}; + r_dual_ = {2.0 / std::sqrt(3.0), 0.0, 0.0}; } else { q_ = {-1.0, 0.0, 0.0}; r_ = {0.5, 0.5 * std::sqrt(3.0), 0.0}; - q_dual_ = {2.0 / std::sqrt(3.0), 1.0 / std::sqrt(3.0), 0.0}; - r_dual_ = {0.0, -1.0, 0.0}; + q_dual_ = {-1.0, 1.0 / std::sqrt(3.0), 0.0}; + r_dual_ = {0.0, 2.0 / std::sqrt(3.0), 0.0}; } q_ *= size_; @@ -4158,7 +4158,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From 68861fb2e3dc940b5507744f0133620ea7009044 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 00:46:40 +0200 Subject: [PATCH 23/46] format fix --- src/mesh.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index e87a6e6def4..93578a61435 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -4158,7 +4158,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From 4292d6578bba49cb5282602584439d4a20522150 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 02:14:53 +0200 Subject: [PATCH 24/46] wip --- src/mesh.cpp | 21 +++++++++++---------- 1 file changed, 11 insertions(+), 10 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 93578a61435..ace7f980af3 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2454,6 +2454,7 @@ int HexagonalMesh::get_bin(Position r) const // Determine indices bool in_mesh; MeshIndex ijk = get_indices(r, in_mesh); + if (!in_mesh) return -1; @@ -2673,16 +2674,16 @@ double HexagonalMesh::distance_to_mesh(const MeshIndex& ijk, int HexagonalMesh::set_grid() { - if (orientation_ == Orientation::y) { - q_ = {0.0, -1.0, 0.0}; - r_ = {0.5 * std::sqrt(3.0), 0.5, 0.0}; - q_dual_ = {1.0 / std::sqrt(3.0), -1.0, 0.0}; - r_dual_ = {2.0 / std::sqrt(3.0), 0.0, 0.0}; + if (orientation_ == Orientation::x) { + q_ = {std::sqrt(3.0), 0.0, 0.0}; + r_ = {0.5 * std::sqrt(3), 1.5, 0.0}; + q_dual_ = {std::sqrt(3.0) / 3.0, -1.0 / 3.0, 0.0}; + r_dual_ = {0.0, 2.0 / 3.0, 0.0}; } else { - q_ = {-1.0, 0.0, 0.0}; - r_ = {0.5, 0.5 * std::sqrt(3.0), 0.0}; - q_dual_ = {-1.0, 1.0 / std::sqrt(3.0), 0.0}; - r_dual_ = {0.0, 2.0 / std::sqrt(3.0), 0.0}; + q_ = {0.0, std::sqrt(3.0), 0.0}; + r_ = {1.5, 0.5 * std::sqrt(3.0), 0.0}; + q_dual_ = {-1.0 / 3.0, std::sqrt(3.0) / 3.0, 0.0}; + r_dual_ = {2.0 / 3.0, 0.0, 0.0}; } q_ *= size_; @@ -4158,7 +4159,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From c40e44818b7cdf08ca000774e72586f3d0015184 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 02:20:17 +0200 Subject: [PATCH 25/46] wip --- tests/unit_tests/test_hexagonal_mesh.py | 91 +++++++++++++++++++++++++ 1 file changed, 91 insertions(+) create mode 100644 tests/unit_tests/test_hexagonal_mesh.py diff --git a/tests/unit_tests/test_hexagonal_mesh.py b/tests/unit_tests/test_hexagonal_mesh.py new file mode 100644 index 00000000000..0688e912579 --- /dev/null +++ b/tests/unit_tests/test_hexagonal_mesh.py @@ -0,0 +1,91 @@ +from itertools import product, permutations + +import openmc +import numpy as np + +import pytest + +@pytest.fixture() +def model(): + openmc.reset_auto_ids() + + water = openmc.Material(name='water') + water.add_element('H', 2.0) + water.add_element('O', 1.0) + water.set_density('g/cc', 1.0) + + outer = openmc.Cell(fill=water) + cell10 = openmc.Cell(fill=water) + cell00 = openmc.Cell(fill=water) + cell01 = openmc.Cell(fill=water) + cell02 = openmc.Cell(fill=water) + cell03 = openmc.Cell(fill=water) + cell04 = openmc.Cell(fill=water) + cell05 = openmc.Cell(fill=water) + + univ10 = openmc.Universe(cells=[cell10]) + univ00 = openmc.Universe(cells=[cell00]) + univ01 = openmc.Universe(cells=[cell01]) + univ02 = openmc.Universe(cells=[cell02]) + univ03 = openmc.Universe(cells=[cell03]) + univ04 = openmc.Universe(cells=[cell04]) + univ05 = openmc.Universe(cells=[cell05]) + + plane1 = openmc.ZPlane(-10.0, boundary_type='vacuum') + plane2 = openmc.ZPlane(10.0, boundary_type='vacuum') + + pitch = 1.25 + + lat = openmc.HexLattice() + lat.center = (0., 0.) + lat.pitch = (pitch,) + lat.universes = [[univ00, univ01, univ02, univ03, univ04, univ05], [univ10]] + lat.outer = openmc.Universe(cells=[outer]) + lat.orientation = 'y' + + hex_prism = openmc.model.HexagonalPrism( + edge_length=2*pitch, + orientation='y', + boundary_type='vacuum' + ) + cell = openmc.Cell(region=-hex_prism & +plane1 & -plane2, fill=lat) + + geom = openmc.Geometry([cell]) + + source = openmc.IndependentSource() + source.space = openmc.stats.Point() + source.energy = openmc.stats.Discrete([10000], [1.0]) + + settings = openmc.Settings() + settings.particles = 2000 + settings.batches = 10 + settings.run_mode = 'fixed source' + + # build + mesh = openmc.HexagonalMesh( + z_grid=[-10.0, 10.0], + num_rings = 2, + pitch = pitch, + ) + tally = openmc.Tally() + + mesh_filter = openmc.MeshFilter(mesh) + cell_filter = openmc.CellFilter([cell10, cell00, cell01, cell02, cell03, cell04, cell05]) + tally.filters.append(mesh_filter) + tally.filters.append(cell_filter) + + tally.scores.append("total") + tally.estimator = "collision" + + tallies = openmc.Tallies([tally]) + + return openmc.Model(geometry=geom, settings=settings, tallies=tallies) + +def test_correct_locations(model, run_in_tmpdir): + tally, = model.tallies + model.run(apply_tally_results=True) + df = tally.get_pandas_dataframe() + df = df[df['mean']>0] + + assert len(df) == 7 + From a4a59476a2f4bae11abeca36d2ec0346ccc5d4be Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 02:24:05 +0200 Subject: [PATCH 26/46] format fix --- src/mesh.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index ace7f980af3..daa28618b45 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -4159,7 +4159,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From c0e3f064ee2338070a319c8cf006ac2738e5a76f Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 05:36:58 +0200 Subject: [PATCH 27/46] test both orientationd --- tests/unit_tests/test_hexagonal_mesh.py | 12 +++++++----- 1 file changed, 7 insertions(+), 5 deletions(-) diff --git a/tests/unit_tests/test_hexagonal_mesh.py b/tests/unit_tests/test_hexagonal_mesh.py index 0688e912579..cc969a6e173 100644 --- a/tests/unit_tests/test_hexagonal_mesh.py +++ b/tests/unit_tests/test_hexagonal_mesh.py @@ -5,10 +5,12 @@ import pytest -@pytest.fixture() -def model(): +@pytest.fixture(params=['x','y']) +def model(request): openmc.reset_auto_ids() + orientation = request.param + water = openmc.Material(name='water') water.add_element('H', 2.0) water.add_element('O', 1.0) @@ -41,11 +43,11 @@ def model(): lat.pitch = (pitch,) lat.universes = [[univ00, univ01, univ02, univ03, univ04, univ05], [univ10]] lat.outer = openmc.Universe(cells=[outer]) - lat.orientation = 'y' + lat.orientation = orientation hex_prism = openmc.model.HexagonalPrism( edge_length=2*pitch, - orientation='y', + orientation=orientation, boundary_type='vacuum' ) cell = openmc.Cell(region=-hex_prism & +plane1 & -plane2, fill=lat) @@ -66,6 +68,7 @@ def model(): z_grid=[-10.0, 10.0], num_rings = 2, pitch = pitch, + orientation = orientation, ) tally = openmc.Tally() @@ -88,4 +91,3 @@ def test_correct_locations(model, run_in_tmpdir): df = df[df['mean']>0] assert len(df) == 7 - From 5f7c4e433bb536cbbdfc1dc9d053baa9bd1de968 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 07:10:06 +0200 Subject: [PATCH 28/46] wip --- src/mesh.cpp | 14 +++++----- tests/unit_tests/test_hexagonal_mesh.py | 35 ++++++++++++++++++------- 2 files changed, 33 insertions(+), 16 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index daa28618b45..91e0f8a5c53 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2676,14 +2676,14 @@ int HexagonalMesh::set_grid() if (orientation_ == Orientation::x) { q_ = {std::sqrt(3.0), 0.0, 0.0}; - r_ = {0.5 * std::sqrt(3), 1.5, 0.0}; - q_dual_ = {std::sqrt(3.0) / 3.0, -1.0 / 3.0, 0.0}; - r_dual_ = {0.0, 2.0 / 3.0, 0.0}; + r_ = {0.5 * std::sqrt(3), -1.5, 0.0}; + q_dual_ = {std::sqrt(3.0) / 3.0, 1.0 / 3.0, 0.0}; + r_dual_ = {0.0, -2.0 / 3.0, 0.0}; } else { - q_ = {0.0, std::sqrt(3.0), 0.0}; - r_ = {1.5, 0.5 * std::sqrt(3.0), 0.0}; - q_dual_ = {-1.0 / 3.0, std::sqrt(3.0) / 3.0, 0.0}; - r_dual_ = {2.0 / 3.0, 0.0, 0.0}; + q_ = {1.5, -0.5 * std::sqrt(3.0), 0.0}; + r_ = {0.0, -std::sqrt(3.0), 0.0}; + q_dual_ = {2.0 / 3.0, 0.0, 0.0}; + r_dual_ = {-1.0 / 3.0, -std::sqrt(3.0) / 3.0, 0.0}; } q_ *= size_; diff --git a/tests/unit_tests/test_hexagonal_mesh.py b/tests/unit_tests/test_hexagonal_mesh.py index cc969a6e173..0ea8f8f0957 100644 --- a/tests/unit_tests/test_hexagonal_mesh.py +++ b/tests/unit_tests/test_hexagonal_mesh.py @@ -16,14 +16,14 @@ def model(request): water.add_element('O', 1.0) water.set_density('g/cc', 1.0) - outer = openmc.Cell(fill=water) - cell10 = openmc.Cell(fill=water) - cell00 = openmc.Cell(fill=water) - cell01 = openmc.Cell(fill=water) - cell02 = openmc.Cell(fill=water) - cell03 = openmc.Cell(fill=water) - cell04 = openmc.Cell(fill=water) - cell05 = openmc.Cell(fill=water) + outer = openmc.Cell(fill=water, cell_id=100) + cell10 = openmc.Cell(fill=water, cell_id=10) + cell00 = openmc.Cell(fill=water, cell_id=0) + cell01 = openmc.Cell(fill=water, cell_id=1) + cell02 = openmc.Cell(fill=water, cell_id=2) + cell03 = openmc.Cell(fill=water, cell_id=3) + cell04 = openmc.Cell(fill=water, cell_id=4) + cell05 = openmc.Cell(fill=water, cell_id=5) univ10 = openmc.Universe(cells=[cell10]) univ00 = openmc.Universe(cells=[cell00]) @@ -89,5 +89,22 @@ def test_correct_locations(model, run_in_tmpdir): model.run(apply_tally_results=True) df = tally.get_pandas_dataframe() df = df[df['mean']>0] - + df = df.set_index("cell")["mesh 1"] assert len(df) == 7 + + if tally.filters[0].mesh.orientation == "y": + assert tuple(df.loc[10]) == (0,0,0,0) + assert tuple(df.loc[0]) == (0,-1,1,0) + assert tuple(df.loc[1]) == (1,-1,0,0) + assert tuple(df.loc[2]) == (1,0,-1,0) + assert tuple(df.loc[3]) == (0,1,-1,0) + assert tuple(df.loc[4]) == (-1,1,0,0) + assert tuple(df.loc[5]) == (-1,0,1,0) + else: + assert tuple(df.loc[10]) == (0,0,0,0) + assert tuple(df.loc[0]) == (1,0,-1,0) + assert tuple(df.loc[1]) == (0,1,-1,0) + assert tuple(df.loc[2]) == (-1,1,0,0) + assert tuple(df.loc[3]) == (-1,0,1,0) + assert tuple(df.loc[4]) == (0,-1,1,0) + assert tuple(df.loc[5]) == (1,-1,0,0) From 38edc7478c498e459c971fb813037713363841f0 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 08:11:32 +0200 Subject: [PATCH 29/46] wip --- openmc/filter.py | 42 +++++-------------------- tests/unit_tests/test_hexagonal_mesh.py | 36 ++++++++++++++++++--- 2 files changed, 39 insertions(+), 39 deletions(-) diff --git a/openmc/filter.py b/openmc/filter.py index 76116021da3..754cd753d6f 100644 --- a/openmc/filter.py +++ b/openmc/filter.py @@ -1325,47 +1325,19 @@ def get_pandas_dataframe(self, data_size, stride, **kwargs): Tally.get_pandas_dataframe(), CrossFilter.get_pandas_dataframe() """ - # Initialize Pandas DataFrame - df = pd.DataFrame() - - # Initialize dictionary to build Pandas Multi-index column - filter_dict = {} - # Append mesh ID as outermost index of multi-index mesh_key = f'mesh {self.mesh.id}' # Find mesh dimensions - use 3D indices for simplicity - n_surfs = 4 * len(self.mesh.dimension) - if len(self.mesh.dimension) == 3: - nx, ny, nz = self.mesh.dimension - elif len(self.mesh.dimension) == 2: - nx, ny = self.mesh.dimension - nz = 1 - else: - nx = self.mesh.dimension - ny = nz = 1 + n_surfs = len(self._current_names(self._mesh)) - # Generate multi-index sub-column for x-axis - filter_dict[mesh_key, 'x'] = _repeat_and_tile( - np.arange(1, nx + 1), n_surfs * stride, data_size) - - # Generate multi-index sub-column for y-axis - if len(self.mesh.dimension) > 1: - filter_dict[mesh_key, 'y'] = _repeat_and_tile( - np.arange(1, ny + 1), n_surfs * nx * stride, data_size) - - # Generate multi-index sub-column for z-axis - if len(self.mesh.dimension) > 2: - filter_dict[mesh_key, 'z'] = _repeat_and_tile( - np.arange(1, nz + 1), n_surfs * nx * ny * stride, data_size) - - # Generate multi-index sub-column for surface - filter_dict[mesh_key, 'surf'] = _repeat_and_tile( - self._current_names(self._mesh), stride, data_size) - - # Initialize a Pandas DataFrame from the mesh dictionary - return pd.concat([df, pd.DataFrame(filter_dict)]) + columns = [(mesh_key, label) for label in self.mesh._axis_labels] + indices = _repeat_and_tile(list(self.mesh.indices), stride*n_surfs, data_size) + filter_dict = dict(zip(columns,indices.T)) + surfs = _repeat_and_tile(self._current_names(self._mesh), stride, data_size) + filter_dict[mesh_key, 'surf'] = surfs + return pd.DataFrame(filter_dict) class CollisionFilter(Filter): """Bins tally events based on the number of collisions. diff --git a/tests/unit_tests/test_hexagonal_mesh.py b/tests/unit_tests/test_hexagonal_mesh.py index 0ea8f8f0957..e464d813355 100644 --- a/tests/unit_tests/test_hexagonal_mesh.py +++ b/tests/unit_tests/test_hexagonal_mesh.py @@ -5,6 +5,8 @@ import pytest +pitch = 1.25 + @pytest.fixture(params=['x','y']) def model(request): openmc.reset_auto_ids() @@ -36,8 +38,6 @@ def model(request): plane1 = openmc.ZPlane(-10.0, boundary_type='vacuum') plane2 = openmc.ZPlane(10.0, boundary_type='vacuum') - pitch = 1.25 - lat = openmc.HexLattice() lat.center = (0., 0.) lat.pitch = (pitch,) @@ -78,14 +78,16 @@ def model(request): tally.filters.append(cell_filter) tally.scores.append("total") - tally.estimator = "collision" tallies = openmc.Tallies([tally]) return openmc.Model(geometry=geom, settings=settings, tallies=tallies) -def test_correct_locations(model, run_in_tmpdir): + +@pytest.mark.parametrize("estimator", ["collision", "tracklength"]) +def test_correct_locations(model, run_in_tmpdir, estimator): tally, = model.tallies + tally.estimator = estimator model.run(apply_tally_results=True) df = tally.get_pandas_dataframe() df = df[df['mean']>0] @@ -108,3 +110,29 @@ def test_correct_locations(model, run_in_tmpdir): assert tuple(df.loc[3]) == (-1,0,1,0) assert tuple(df.loc[4]) == (0,-1,1,0) assert tuple(df.loc[5]) == (1,-1,0,0) + +def test_meshsurface(model): + tally, = model.tallies + orientation = tally.filters[0].mesh.orientation + + tally = openmc.Tally() + mesh = openmc.HexagonalMesh( + z_grid=[-10.0, 10.0], + num_rings = 2, + pitch = pitch, + orientation = orientation, + ) + + tally.filters = [openmc.MeshSurfaceFilter(mesh)] + tally.scores = ['current'] + + model.tallies = [tally] + + model.run(apply_tally_results=True) + + df = tally.get_pandas_dataframe() + + z_max_in = df['mesh 2', 'surf']=='z-max in' + z_min_in = df['mesh 2', 'surf']=='z-min in' + + assert np.all(df[z_max_in & z_min_in]['mean']==0.0) From fac27f5525523884746dca6089d7edfc8265c443 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 08:12:20 +0200 Subject: [PATCH 30/46] wip --- tests/unit_tests/test_hexagonal_mesh.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/unit_tests/test_hexagonal_mesh.py b/tests/unit_tests/test_hexagonal_mesh.py index e464d813355..d76816e081e 100644 --- a/tests/unit_tests/test_hexagonal_mesh.py +++ b/tests/unit_tests/test_hexagonal_mesh.py @@ -111,7 +111,7 @@ def test_correct_locations(model, run_in_tmpdir, estimator): assert tuple(df.loc[4]) == (0,-1,1,0) assert tuple(df.loc[5]) == (1,-1,0,0) -def test_meshsurface(model): +def test_meshsurface(model, run_in_tmpdir): tally, = model.tallies orientation = tally.filters[0].mesh.orientation From 33f7782250359c7b64db3573709f29d989976d1c Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 08:16:52 +0200 Subject: [PATCH 31/46] wip --- docs/source/pythonapi/base.rst | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst index b3911c8b3ba..023b96d13e6 100644 --- a/docs/source/pythonapi/base.rst +++ b/docs/source/pythonapi/base.rst @@ -169,6 +169,7 @@ Meshes openmc.CylindricalMesh openmc.SphericalMesh openmc.UnstructuredMesh + openmc.HexagonalMesh Geometry Plotting ----------------- From a6f1945d4aee80d40a37d66133317dd389f4ecb9 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 10:22:36 +0200 Subject: [PATCH 32/46] wip --- include/openmc/mesh.h | 9 +- include/openmc/tallies/filter_meshsurface.h | 15 -- src/mesh.cpp | 46 +++-- src/tallies/filter_meshsurface.cpp | 205 +++++++++++++------- 4 files changed, 170 insertions(+), 105 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index a8dc36881cc..6cc8c259a4d 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -329,8 +329,6 @@ class StructuredMesh : public Mesh { int n_surface_bins() const override; - virtual int n_neighbors() const { return n_dimension_; } - void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; @@ -470,6 +468,7 @@ class StructuredMesh : public Mesh { // Data members std::array shape_; //!< Number of mesh elements in each dimension std::vector> correlated_axes_ = {{0}, {1}, {2}}; + std::vector labels_; protected: }; @@ -743,6 +742,10 @@ class HexagonalMesh : public PeriodicStructuredMesh { HexagonalMesh(hid_t group); // Overridden methods + + //! Get a label for the mesh bin + std::string bin_label(int bin) const override; + int get_bin(Position r) const override; int n_bins() const override; @@ -766,8 +769,6 @@ class HexagonalMesh : public PeriodicStructuredMesh { static const std::string mesh_type; - int n_neighbors() const override { return 4; } - Position sample_element(const MeshIndex& ijk, uint64_t* seed) const override; MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i, diff --git a/include/openmc/tallies/filter_meshsurface.h b/include/openmc/tallies/filter_meshsurface.h index 195995c699f..fc6915200cb 100644 --- a/include/openmc/tallies/filter_meshsurface.h +++ b/include/openmc/tallies/filter_meshsurface.h @@ -22,21 +22,6 @@ class MeshSurfaceFilter : public MeshFilter { // Accessors void set_mesh(int32_t mesh) override; - - enum class MeshDir { - OUT_LEFT, // x min - IN_LEFT, // x min - OUT_RIGHT, // x max - IN_RIGHT, // x max - OUT_BACK, // y min - IN_BACK, // y min - OUT_FRONT, // y max - IN_FRONT, // y max - OUT_BOTTOM, // z min - IN_BOTTOM, // z min - OUT_TOP, // z max - IN_TOP // z max - }; }; } // namespace openmc diff --git a/src/mesh.cpp b/src/mesh.cpp index 91e0f8a5c53..508c76addf3 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -1163,7 +1163,7 @@ void StructuredMesh::raytrace_mesh( Position global_r = r0; Position local_r = local_coords(r0); - const int n = n_neighbors(); + const int n = n_dimension_; // Flag if position is inside the mesh bool inside_mesh; @@ -1260,7 +1260,7 @@ double StructuredMesh::distance_to_mesh(const MeshIndex& ijk, // For all directions outside the mesh, find the distance that we need // to travel to reach the next surface. Use the largest distance, as // only this will cross all outer surfaces. - const int n = n_neighbors(); + const int n = n_dimension_; k_max = -1; for (int k = 0; k < n; ++k) { if ((ijk[k] < 1 || ijk[k] > shape_[k]) && @@ -1318,7 +1318,7 @@ void StructuredMesh::surface_bins_crossed( void surface(const MeshIndex& ijk, int k, bool max, bool inward) const { int i_bin = - 4 * mesh->n_neighbors() * mesh->get_bin_from_indices(ijk) + 4 * k; + 4 * mesh->n_dimension_ * mesh->get_bin_from_indices(ijk) + 4 * k; if (max) i_bin += 2; if (inward) @@ -1343,6 +1343,14 @@ int RegularMesh::set_grid() { tensor::Tensor shape(shape_.data(), static_cast(n_dimension_)); + labels_.clear(); + if (n_dimension_ > 0) + labels_.push_back("x"); + if (n_dimension_ > 1) + labels_.push_back("y"); + if (n_dimension_ > 2) + labels_.push_back("z"); + // Check that dimensions are all greater than zero if ((shape <= 0).any()) { set_errmsg("All entries for a regular mesh dimensions " @@ -1703,6 +1711,8 @@ int RectilinearMesh::set_grid() static_cast(grid_[1].size()) - 1, static_cast(grid_[2].size()) - 1}; + labels_ = {"x", "y", "z"}; + for (const auto& g : grid_) { if (g.size() < 2) { set_errmsg("x-, y-, and z- grids for rectilinear meshes " @@ -1986,6 +1996,8 @@ int CylindricalMesh::set_grid() static_cast(grid_[1].size()) - 1, static_cast(grid_[2].size()) - 1}; + labels_ = {"r", "phi", "z"}; + for (const auto& g : grid_) { if (g.size() < 2) { set_errmsg("r-, phi-, and z- grids for cylindrical meshes " @@ -2312,9 +2324,11 @@ int SphericalMesh::set_grid() static_cast(grid_[1].size()) - 1, static_cast(grid_[2].size()) - 1}; + labels_ = {"r", "theta", "phi"}; + for (const auto& g : grid_) { if (g.size() < 2) { - set_errmsg("x-, y-, and z- grids for spherical meshes " + set_errmsg("r-, theta-, and phi- grids for spherical meshes " "must each have at least 2 points"); return OPENMC_E_INVALID_ARGUMENT; } @@ -2397,8 +2411,6 @@ double SphericalMesh::volume(const MeshIndex& ijk) const HexagonalMesh::HexagonalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { - n_dimension_ = 3; - correlated_axes_ = {{0, 1, 2}, {0, 1, 2}, {0, 1, 2}, {3}}; grid_ = get_node_array(node, "grid"); radius_ = std::stoi(get_node_value(node, "radius")); size_ = std::stod(get_node_value(node, "size")); @@ -2421,8 +2433,6 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) HexagonalMesh::HexagonalMesh(hid_t group) : PeriodicStructuredMesh {group} { - n_dimension_ = 3; - correlated_axes_ = {{0, 1, 2}, {0, 1, 2}, {0, 1, 2}, {3}}; read_dataset(group, "grid", grid_); read_attribute(group, "radius", radius_); read_attribute(group, "size", size_); @@ -2449,6 +2459,13 @@ std::string HexagonalMesh::get_mesh_type() const return mesh_type; } +std::string StructuredMesh::bin_label(int bin) const +{ + MeshIndex ijk = get_indices_from_bin(bin); + return fmt::format( + "Mesh Index ({}, {}, {}, {})", ijk[0], ijk[1], -ijk[0] - ijk[1], ijk[2]); +} + int HexagonalMesh::get_bin(Position r) const { // Determine indices @@ -2467,11 +2484,6 @@ int HexagonalMesh::n_bins() const return (1 + 3 * (radius_ + 1) * radius_) * (grid_.size() - 1); } -int HexagonalMesh::n_surface_bins() const -{ - return 4 * 4 * n_bins(); -} - int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const { int r = ijk[0]; @@ -2649,7 +2661,7 @@ double HexagonalMesh::distance_to_mesh(const MeshIndex& ijk, // For all directions outside the mesh, find the distance that we need // to travel to reach the next surface. Use the largest distance, as // only this will cross all outer surfaces. - const int n = n_neighbors(); + const int n = n_dimension_; k_max = -1; for (int k = 0; k < n; ++k) { @@ -2673,6 +2685,10 @@ double HexagonalMesh::distance_to_mesh(const MeshIndex& ijk, int HexagonalMesh::set_grid() { + n_dimension_ = 4; + correlated_axes_ = {{0, 1, 2}, {0, 1, 2}, {0, 1, 2}, {3}}; + + labels_ = {"r", "q", "s", "z"}; if (orientation_ == Orientation::x) { q_ = {std::sqrt(3.0), 0.0, 0.0}; @@ -2693,7 +2709,7 @@ int HexagonalMesh::set_grid() if (grid_.size() < 2) { set_errmsg("z- grid for hexagonal meshes " - "must each have at least 2 points"); + "must have at least 2 points"); return OPENMC_E_INVALID_ARGUMENT; } if (std::adjacent_find(grid_.begin(), grid_.end(), std::greater_equal<>()) != diff --git a/src/tallies/filter_meshsurface.cpp b/src/tallies/filter_meshsurface.cpp index b26cd198b32..3bcbff07a59 100644 --- a/src/tallies/filter_meshsurface.cpp +++ b/src/tallies/filter_meshsurface.cpp @@ -30,86 +30,149 @@ std::string MeshSurfaceFilter::text_label(int bin) const // Get flattend mesh index and surface index. int i_mesh = bin / (4 * n_dim); - MeshDir surf_dir = static_cast(bin % (4 * n_dim)); // Get mesh index part of label. std::string out = MeshFilter::text_label(i_mesh); - - // Get surface part of label. - switch (surf_dir) { - case MeshDir::OUT_LEFT: - out += " Outgoing, x-min"; - break; - case MeshDir::IN_LEFT: - out += " Incoming, x-min"; - break; - case MeshDir::OUT_RIGHT: - out += " Outgoing, x-max"; - break; - case MeshDir::IN_RIGHT: - out += " Incoming, x-max"; - break; - case MeshDir::OUT_BACK: - out += " Outgoing, y-min"; - break; - case MeshDir::IN_BACK: - out += " Incoming, y-min"; - break; - case MeshDir::OUT_FRONT: - out += " Outgoing, y-max"; - break; - case MeshDir::IN_FRONT: - out += " Incoming, y-max"; - break; - case MeshDir::OUT_BOTTOM: - out += " Outgoing, z-min"; - break; - case MeshDir::IN_BOTTOM: - out += " Incoming, z-min"; - break; - case MeshDir::OUT_TOP: - out += " Outgoing, z-max"; - break; - case MeshDir::IN_TOP: - out += " Incoming, z-max"; - break; + auto surf_dir = (bin % (4 * n_dim)); + if (mesh->mesh_type != HexagonalMesh::mesh_type) { + // Get surface part of label. + switch (surf_dir) { + case 0: + out += fmt::format(" Outgoing, {}-min", mesh->labels_[0]); + break; + case 1: + out += fmt::format(" Incoming, {}-min", mesh->labels_[0]); + break; + case 2: + out += fmt::format(" Outgoing, {}-max", mesh->labels_[0]); + break; + case 3: + out += fmt::format(" Incoming, {}-max", mesh->labels_[0]); + break; + case 4: + out += fmt::format(" Outgoing, {}-min", mesh->labels_[1]); + break; + case 5: + out += fmt::format(" Incoming, {}-min", mesh->labels_[1]); + break; + case 6: + out += fmt::format(" Outgoing, {}-max", mesh->labels_[1]); + break; + case 7: + out += fmt::format(" Incoming, {}-max", mesh->labels_[1]); + break; + case 8: + out += fmt::format(" Outgoing, {}-min", mesh->labels_[2]); + break; + case 9: + out += fmt::format(" Incoming, {}-min", mesh->labels_[2]); + break; + case 10: + out += fmt::format(" Outgoing, {}-max", mesh->labels_[2]); + break; + case 11: + out += fmt::format(" Incoming, {}-max", mesh->labels_[2]); + break; + } + } else { + // Get surface part of label. + switch (surf_dir) { + case 0: + out += fmt::format( + " Outgoing, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); + break; + case 1: + out += fmt::format( + " Incoming, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); + break; + case 2: + out += fmt::format( + " Outgoing, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); + break; + case 3: + out += fmt::format( + " Incoming, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); + break; + case 4: + out += fmt::format( + " Outgoing, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); + break; + case 5: + out += fmt::format( + " Incoming, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); + break; + case 6: + out += fmt::format( + " Outgoing, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); + break; + case 7: + out += fmt::format( + " Incoming, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); + break; + case 8: + out += fmt::format( + " Outgoing, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); + break; + case 9: + out += fmt::format( + " Incoming, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); + break; + case 10: + out += fmt::format( + " Outgoing, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); + break; + case 11: + out += fmt::format( + " Incoming, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); + break; + case 12: + out += fmt::format(" Outgoing, {}-min", mesh->labels_[3]); + break; + case 13: + out += fmt::format(" Incoming, {}-min", mesh->labels_[3]); + break; + case 14: + out += fmt::format(" Outgoing, {}-max", mesh->labels_[3]); + break; + case 15: + out += fmt::format(" Incoming, {}-max", mesh->labels_[3]); + break; + } + return out; } - return out; -} - -void MeshSurfaceFilter::set_mesh(int32_t mesh) -{ - mesh_ = mesh; - n_bins_ = model::meshes[mesh_]->n_surface_bins(); -} + void MeshSurfaceFilter::set_mesh(int32_t mesh) + { + mesh_ = mesh; + n_bins_ = model::meshes[mesh_]->n_surface_bins(); + } -//============================================================================== -// C-API functions -//============================================================================== + //============================================================================== + // C-API functions + //============================================================================== -extern "C" int openmc_meshsurface_filter_get_mesh( - int32_t index, int32_t* index_mesh) -{ - return openmc_mesh_filter_get_mesh(index, index_mesh); -} + extern "C" int openmc_meshsurface_filter_get_mesh( + int32_t index, int32_t* index_mesh) + { + return openmc_mesh_filter_get_mesh(index, index_mesh); + } -extern "C" int openmc_meshsurface_filter_set_mesh( - int32_t index, int32_t index_mesh) -{ - return openmc_mesh_filter_set_mesh(index, index_mesh); -} + extern "C" int openmc_meshsurface_filter_set_mesh( + int32_t index, int32_t index_mesh) + { + return openmc_mesh_filter_set_mesh(index, index_mesh); + } -extern "C" int openmc_meshsurface_filter_get_translation( - int32_t index, double translation[3]) -{ - return openmc_mesh_filter_get_translation(index, translation); -} + extern "C" int openmc_meshsurface_filter_get_translation( + int32_t index, double translation[3]) + { + return openmc_mesh_filter_get_translation(index, translation); + } -extern "C" int openmc_meshsurface_filter_set_translation( - int32_t index, double translation[3]) -{ - return openmc_mesh_filter_set_translation(index, translation); -} + extern "C" int openmc_meshsurface_filter_set_translation( + int32_t index, double translation[3]) + { + return openmc_mesh_filter_set_translation(index, translation); + } } // namespace openmc From 834367033df06b933ab5801260aed2d6f34fdf37 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 10:30:13 +0200 Subject: [PATCH 33/46] wip --- src/mesh.cpp | 2 +- src/tallies/filter_meshsurface.cpp | 58 +++++++++++++++--------------- 2 files changed, 30 insertions(+), 30 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 508c76addf3..ef4f935779a 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2459,7 +2459,7 @@ std::string HexagonalMesh::get_mesh_type() const return mesh_type; } -std::string StructuredMesh::bin_label(int bin) const +std::string HexagonalMesh::bin_label(int bin) const { MeshIndex ijk = get_indices_from_bin(bin); return fmt::format( diff --git a/src/tallies/filter_meshsurface.cpp b/src/tallies/filter_meshsurface.cpp index 3bcbff07a59..384c3d1c446 100644 --- a/src/tallies/filter_meshsurface.cpp +++ b/src/tallies/filter_meshsurface.cpp @@ -34,44 +34,44 @@ std::string MeshSurfaceFilter::text_label(int bin) const // Get mesh index part of label. std::string out = MeshFilter::text_label(i_mesh); auto surf_dir = (bin % (4 * n_dim)); - if (mesh->mesh_type != HexagonalMesh::mesh_type) { + if (mesh.mesh_type != HexagonalMesh::mesh_type) { // Get surface part of label. switch (surf_dir) { case 0: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[0]); + out += fmt::format(" Outgoing, {}-min", mesh.labels_[0]); break; case 1: - out += fmt::format(" Incoming, {}-min", mesh->labels_[0]); + out += fmt::format(" Incoming, {}-min", mesh.labels_[0]); break; case 2: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[0]); + out += fmt::format(" Outgoing, {}-max", mesh.labels_[0]); break; case 3: - out += fmt::format(" Incoming, {}-max", mesh->labels_[0]); + out += fmt::format(" Incoming, {}-max", mesh.labels_[0]); break; case 4: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[1]); + out += fmt::format(" Outgoing, {}-min", mesh.labels_[1]); break; case 5: - out += fmt::format(" Incoming, {}-min", mesh->labels_[1]); + out += fmt::format(" Incoming, {}-min", mesh.labels_[1]); break; case 6: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[1]); + out += fmt::format(" Outgoing, {}-max", mesh.labels_[1]); break; case 7: - out += fmt::format(" Incoming, {}-max", mesh->labels_[1]); + out += fmt::format(" Incoming, {}-max", mesh.labels_[1]); break; case 8: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[2]); + out += fmt::format(" Outgoing, {}-min", mesh.labels_[2]); break; case 9: - out += fmt::format(" Incoming, {}-min", mesh->labels_[2]); + out += fmt::format(" Incoming, {}-min", mesh.labels_[2]); break; case 10: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[2]); + out += fmt::format(" Outgoing, {}-max", mesh.labels_[2]); break; case 11: - out += fmt::format(" Incoming, {}-max", mesh->labels_[2]); + out += fmt::format(" Incoming, {}-max", mesh.labels_[2]); break; } } else { @@ -79,63 +79,63 @@ std::string MeshSurfaceFilter::text_label(int bin) const switch (surf_dir) { case 0: out += fmt::format( - " Outgoing, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); + " Outgoing, {}-min {}-max", mesh.labels_[0], mesh.labels_[1]); break; case 1: out += fmt::format( - " Incoming, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); + " Incoming, {}-min {}-max", mesh.labels_[0], mesh.labels_[1]); break; case 2: out += fmt::format( - " Outgoing, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); + " Outgoing, {}-max {}-min", mesh.labels_[0], mesh.labels_[1]); break; case 3: out += fmt::format( - " Incoming, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); + " Incoming, {}-max {}-min", mesh.labels_[0], mesh.labels_[1]); break; case 4: out += fmt::format( - " Outgoing, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); + " Outgoing, {}-min {}-max", mesh.labels_[1], mesh.labels_[2]); break; case 5: out += fmt::format( - " Incoming, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); + " Incoming, {}-min {}-max", mesh.labels_[1], mesh.labels_[2]); break; case 6: out += fmt::format( - " Outgoing, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); + " Outgoing, {}-max {}-min", mesh.labels_[1], mesh.labels_[2]); break; case 7: out += fmt::format( - " Incoming, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); + " Incoming, {}-max {}-min", mesh.labels_[1], mesh.labels_[2]); break; case 8: out += fmt::format( - " Outgoing, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); + " Outgoing, {}-min {}-max", mesh.labels_[2], mesh.labels_[0]); break; case 9: out += fmt::format( - " Incoming, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); + " Incoming, {}-min {}-max", mesh.labels_[2], mesh.labels_[0]); break; case 10: out += fmt::format( - " Outgoing, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); + " Outgoing, {}-max {}-min", mesh.labels_[2], mesh.labels_[0]); break; case 11: out += fmt::format( - " Incoming, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); + " Incoming, {}-max {}-min", mesh.labels_[2], mesh.labels_[0]); break; case 12: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[3]); + out += fmt::format(" Outgoing, {}-min", mesh.labels_[3]); break; case 13: - out += fmt::format(" Incoming, {}-min", mesh->labels_[3]); + out += fmt::format(" Incoming, {}-min", mesh.labels_[3]); break; case 14: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[3]); + out += fmt::format(" Outgoing, {}-max", mesh.labels_[3]); break; case 15: - out += fmt::format(" Incoming, {}-max", mesh->labels_[3]); + out += fmt::format(" Incoming, {}-max", mesh.labels_[3]); break; } return out; From a7ae1a80ecdf4b36fec9c127555ebe2a972a545a Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 10:43:00 +0200 Subject: [PATCH 34/46] wip --- src/tallies/filter_meshsurface.cpp | 123 +++++++++++++++-------------- 1 file changed, 63 insertions(+), 60 deletions(-) diff --git a/src/tallies/filter_meshsurface.cpp b/src/tallies/filter_meshsurface.cpp index 384c3d1c446..a0292e3dc62 100644 --- a/src/tallies/filter_meshsurface.cpp +++ b/src/tallies/filter_meshsurface.cpp @@ -25,8 +25,8 @@ void MeshSurfaceFilter::get_all_bins( std::string MeshSurfaceFilter::text_label(int bin) const { - auto& mesh = *model::meshes[mesh_]; - int n_dim = mesh.n_dimension_; + auto mesh = static_cast(model::meshes[mesh_]); + int n_dim = mesh->n_dimension_; // Get flattend mesh index and surface index. int i_mesh = bin / (4 * n_dim); @@ -34,44 +34,44 @@ std::string MeshSurfaceFilter::text_label(int bin) const // Get mesh index part of label. std::string out = MeshFilter::text_label(i_mesh); auto surf_dir = (bin % (4 * n_dim)); - if (mesh.mesh_type != HexagonalMesh::mesh_type) { + if (mesh->mesh_type != HexagonalMesh::mesh_type) { // Get surface part of label. switch (surf_dir) { case 0: - out += fmt::format(" Outgoing, {}-min", mesh.labels_[0]); + out += fmt::format(" Outgoing, {}-min", mesh->labels_[0]); break; case 1: - out += fmt::format(" Incoming, {}-min", mesh.labels_[0]); + out += fmt::format(" Incoming, {}-min", mesh->labels_[0]); break; case 2: - out += fmt::format(" Outgoing, {}-max", mesh.labels_[0]); + out += fmt::format(" Outgoing, {}-max", mesh->labels_[0]); break; case 3: - out += fmt::format(" Incoming, {}-max", mesh.labels_[0]); + out += fmt::format(" Incoming, {}-max", mesh->labels_[0]); break; case 4: - out += fmt::format(" Outgoing, {}-min", mesh.labels_[1]); + out += fmt::format(" Outgoing, {}-min", mesh->labels_[1]); break; case 5: - out += fmt::format(" Incoming, {}-min", mesh.labels_[1]); + out += fmt::format(" Incoming, {}-min", mesh->labels_[1]); break; case 6: - out += fmt::format(" Outgoing, {}-max", mesh.labels_[1]); + out += fmt::format(" Outgoing, {}-max", mesh->labels_[1]); break; case 7: - out += fmt::format(" Incoming, {}-max", mesh.labels_[1]); + out += fmt::format(" Incoming, {}-max", mesh->labels_[1]); break; case 8: - out += fmt::format(" Outgoing, {}-min", mesh.labels_[2]); + out += fmt::format(" Outgoing, {}-min", mesh->labels_[2]); break; case 9: - out += fmt::format(" Incoming, {}-min", mesh.labels_[2]); + out += fmt::format(" Incoming, {}-min", mesh->labels_[2]); break; case 10: - out += fmt::format(" Outgoing, {}-max", mesh.labels_[2]); + out += fmt::format(" Outgoing, {}-max", mesh->labels_[2]); break; case 11: - out += fmt::format(" Incoming, {}-max", mesh.labels_[2]); + out += fmt::format(" Incoming, {}-max", mesh->labels_[2]); break; } } else { @@ -79,100 +79,103 @@ std::string MeshSurfaceFilter::text_label(int bin) const switch (surf_dir) { case 0: out += fmt::format( - " Outgoing, {}-min {}-max", mesh.labels_[0], mesh.labels_[1]); + " Outgoing, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); break; case 1: out += fmt::format( - " Incoming, {}-min {}-max", mesh.labels_[0], mesh.labels_[1]); + " Incoming, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); break; case 2: out += fmt::format( - " Outgoing, {}-max {}-min", mesh.labels_[0], mesh.labels_[1]); + " Outgoing, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); break; case 3: out += fmt::format( - " Incoming, {}-max {}-min", mesh.labels_[0], mesh.labels_[1]); + " Incoming, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); break; case 4: out += fmt::format( - " Outgoing, {}-min {}-max", mesh.labels_[1], mesh.labels_[2]); + " Outgoing, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); break; case 5: out += fmt::format( - " Incoming, {}-min {}-max", mesh.labels_[1], mesh.labels_[2]); + " Incoming, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); break; case 6: out += fmt::format( - " Outgoing, {}-max {}-min", mesh.labels_[1], mesh.labels_[2]); + " Outgoing, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); break; case 7: out += fmt::format( - " Incoming, {}-max {}-min", mesh.labels_[1], mesh.labels_[2]); + " Incoming, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); break; case 8: out += fmt::format( - " Outgoing, {}-min {}-max", mesh.labels_[2], mesh.labels_[0]); + " Outgoing, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); break; case 9: out += fmt::format( - " Incoming, {}-min {}-max", mesh.labels_[2], mesh.labels_[0]); + " Incoming, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); break; case 10: out += fmt::format( - " Outgoing, {}-max {}-min", mesh.labels_[2], mesh.labels_[0]); + " Outgoing, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); break; case 11: out += fmt::format( - " Incoming, {}-max {}-min", mesh.labels_[2], mesh.labels_[0]); + " Incoming, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); break; case 12: - out += fmt::format(" Outgoing, {}-min", mesh.labels_[3]); + out += fmt::format(" Outgoing, {}-min", mesh->labels_[3]); break; case 13: - out += fmt::format(" Incoming, {}-min", mesh.labels_[3]); + out += fmt::format(" Incoming, {}-min", mesh->labels_[3]); break; case 14: - out += fmt::format(" Outgoing, {}-max", mesh.labels_[3]); + out += fmt::format(" Outgoing, {}-max", mesh->labels_[3]); break; case 15: - out += fmt::format(" Incoming, {}-max", mesh.labels_[3]); + out += fmt::format(" Incoming, {}-max", mesh->labels_[3]); break; } - return out; } + return out; +} - void MeshSurfaceFilter::set_mesh(int32_t mesh) - { - mesh_ = mesh; - n_bins_ = model::meshes[mesh_]->n_surface_bins(); - } +void MeshSurfaceFilter::set_mesh(int32_t mesh) +{ + mesh_ = mesh; + if (!dynamic_cast(mesh)) + fatal_error("Only structured mesh is supported in MeshSurfaceFilter."); + n_bins_ = model::meshes[mesh_]->n_surface_bins(); +} - //============================================================================== - // C-API functions - //============================================================================== +//============================================================================== +// C-API functions +//============================================================================== - extern "C" int openmc_meshsurface_filter_get_mesh( - int32_t index, int32_t* index_mesh) - { - return openmc_mesh_filter_get_mesh(index, index_mesh); - } +extern "C" int openmc_meshsurface_filter_get_mesh( + int32_t index, int32_t* index_mesh) +{ + return openmc_mesh_filter_get_mesh(index, index_mesh); +} - extern "C" int openmc_meshsurface_filter_set_mesh( - int32_t index, int32_t index_mesh) - { - return openmc_mesh_filter_set_mesh(index, index_mesh); - } +extern "C" int openmc_meshsurface_filter_set_mesh( + int32_t index, int32_t index_mesh) +{ + return openmc_mesh_filter_set_mesh(index, index_mesh); +} - extern "C" int openmc_meshsurface_filter_get_translation( - int32_t index, double translation[3]) - { - return openmc_mesh_filter_get_translation(index, translation); - } +extern "C" int openmc_meshsurface_filter_get_translation( + int32_t index, double translation[3]) +{ + return openmc_mesh_filter_get_translation(index, translation); +} - extern "C" int openmc_meshsurface_filter_set_translation( - int32_t index, double translation[3]) - { - return openmc_mesh_filter_set_translation(index, translation); - } +extern "C" int openmc_meshsurface_filter_set_translation( + int32_t index, double translation[3]) +{ + return openmc_mesh_filter_set_translation(index, translation); +} } // namespace openmc From 26de1f2edf11a0c687a7d37b6ea7f45aa3f25c3b Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 10:52:41 +0200 Subject: [PATCH 35/46] wip --- include/openmc/mesh.h | 2 -- src/tallies/filter_meshsurface.cpp | 6 +++--- 2 files changed, 3 insertions(+), 5 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 6cc8c259a4d..1688bdeca72 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -750,8 +750,6 @@ class HexagonalMesh : public PeriodicStructuredMesh { int n_bins() const override; - int n_surface_bins() const override; - MeshIndex get_indices(Position r, bool& in_mesh) const override; bool index_inside_mesh(const MeshIndex& ijk, int k) const override diff --git a/src/tallies/filter_meshsurface.cpp b/src/tallies/filter_meshsurface.cpp index a0292e3dc62..d3096fb114b 100644 --- a/src/tallies/filter_meshsurface.cpp +++ b/src/tallies/filter_meshsurface.cpp @@ -25,7 +25,7 @@ void MeshSurfaceFilter::get_all_bins( std::string MeshSurfaceFilter::text_label(int bin) const { - auto mesh = static_cast(model::meshes[mesh_]); + auto mesh = dynamic_cast(model::meshes[mesh_].get()); int n_dim = mesh->n_dimension_; // Get flattend mesh index and surface index. @@ -34,7 +34,7 @@ std::string MeshSurfaceFilter::text_label(int bin) const // Get mesh index part of label. std::string out = MeshFilter::text_label(i_mesh); auto surf_dir = (bin % (4 * n_dim)); - if (mesh->mesh_type != HexagonalMesh::mesh_type) { + if (n_dim < 4) { // Get surface part of label. switch (surf_dir) { case 0: @@ -145,7 +145,7 @@ std::string MeshSurfaceFilter::text_label(int bin) const void MeshSurfaceFilter::set_mesh(int32_t mesh) { mesh_ = mesh; - if (!dynamic_cast(mesh)) + if (!dynamic_cast(model::meshes[mesh_].get())) fatal_error("Only structured mesh is supported in MeshSurfaceFilter."); n_bins_ = model::meshes[mesh_]->n_surface_bins(); } From e3641fd71c1fddabe0ddb4f2a2fbc51cba4eb086 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 17:52:22 +0200 Subject: [PATCH 36/46] wip --- include/openmc/mesh.h | 13 ++- src/mesh.cpp | 136 +++++++++++++++++++---------- src/tallies/filter_meshsurface.cpp | 110 +---------------------- 3 files changed, 105 insertions(+), 154 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 1688bdeca72..3238c1cdff8 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -434,6 +434,9 @@ class StructuredMesh : public Mesh { //! Get a label for the mesh bin std::string bin_label(int bin) const override; + //! Get a label for the surface + virtual std::string surface_label(int surface) const; + //! Get mesh dimensions as a tensor tensor::Tensor get_shape_tensor() const; @@ -468,7 +471,7 @@ class StructuredMesh : public Mesh { // Data members std::array shape_; //!< Number of mesh elements in each dimension std::vector> correlated_axes_ = {{0}, {1}, {2}}; - std::vector labels_; + std::vector axes_labels_ = {"x", "y", "z"}; protected: }; @@ -746,12 +749,18 @@ class HexagonalMesh : public PeriodicStructuredMesh { //! Get a label for the mesh bin std::string bin_label(int bin) const override; - int get_bin(Position r) const override; + std::string surface_label(int surface) const override; int n_bins() const override; MeshIndex get_indices(Position r, bool& in_mesh) const override; + //! Get mesh indices corresponding to a mesh bin + // + //! \param[in] bin Mesh bin + //! \return ijk Mesh indices + MeshIndex get_indices_from_bin(int bin) const override; + bool index_inside_mesh(const MeshIndex& ijk, int k) const override { if (k == 3) diff --git a/src/mesh.cpp b/src/mesh.cpp index ef4f935779a..84597fd46ae 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -769,6 +769,17 @@ std::string StructuredMesh::bin_label(int bin) const } } +std::string StructuredMesh::surface_label(int surface) const +{ + int axis = static_cast(std::floor(surface / 4)); + std::string label = axes_labels_[axis]; + const std::vector MINMAX = {"min", "max"}; + const std::vector OUTIN = {"Outgoing", "Incoming"}; + auto minmax = MINMAX[static_cast(std::floor((surface % 4) / 2))]; + auto outin = OUTIN[surface % 2]; + return fmt::format("{}, {}-{}", outin, minmax, label); +} + tensor::Tensor StructuredMesh::get_shape_tensor() const { return tensor::Tensor(shape_.data(), static_cast(n_dimension_)); @@ -1343,14 +1354,6 @@ int RegularMesh::set_grid() { tensor::Tensor shape(shape_.data(), static_cast(n_dimension_)); - labels_.clear(); - if (n_dimension_ > 0) - labels_.push_back("x"); - if (n_dimension_ > 1) - labels_.push_back("y"); - if (n_dimension_ > 2) - labels_.push_back("z"); - // Check that dimensions are all greater than zero if ((shape <= 0).any()) { set_errmsg("All entries for a regular mesh dimensions " @@ -1711,8 +1714,6 @@ int RectilinearMesh::set_grid() static_cast(grid_[1].size()) - 1, static_cast(grid_[2].size()) - 1}; - labels_ = {"x", "y", "z"}; - for (const auto& g : grid_) { if (g.size() < 2) { set_errmsg("x-, y-, and z- grids for rectilinear meshes " @@ -1996,7 +1997,7 @@ int CylindricalMesh::set_grid() static_cast(grid_[1].size()) - 1, static_cast(grid_[2].size()) - 1}; - labels_ = {"r", "phi", "z"}; + axes_labels_ = {"r", "phi", "z"}; for (const auto& g : grid_) { if (g.size() < 2) { @@ -2324,7 +2325,7 @@ int SphericalMesh::set_grid() static_cast(grid_[1].size()) - 1, static_cast(grid_[2].size()) - 1}; - labels_ = {"r", "theta", "phi"}; + axes_labels_ = {"r", "theta", "phi"}; for (const auto& g : grid_) { if (g.size() < 2) { @@ -2466,17 +2467,21 @@ std::string HexagonalMesh::bin_label(int bin) const "Mesh Index ({}, {}, {}, {})", ijk[0], ijk[1], -ijk[0] - ijk[1], ijk[2]); } -int HexagonalMesh::get_bin(Position r) const +std::string HexagonalMesh::surface_label(int surface) const { - // Determine indices - bool in_mesh; - MeshIndex ijk = get_indices(r, in_mesh); - - if (!in_mesh) - return -1; - - // Convert indices to bin - return get_bin_from_indices(ijk); + int axis = static_cast(std::floor(surface / 4)); + int max = static_cast(std::floor((surface % 4) / 2)); + const std::vector MINMAX = {"min", "max"}; + const std::vector OUTIN = {"Outgoing", "Incoming"}; + auto minmax = MINMAX[max]; + auto outin = OUTIN[surface % 2]; + std::string label = axes_labels_[axis]; + if (axis == 3) { + return fmt::format("{}, {}-{}", outin, label, minmax); + } + auto minmax2 = MINMAX[1 - max]; + std::string label2 = axes_labels_[(axis + 1) % 2]; + return fmt::format("{}, {}-{} {}-{}", outin, label, minmax, label2, minmax2); } int HexagonalMesh::n_bins() const @@ -2488,31 +2493,29 @@ int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const { int r = ijk[0]; int q = ijk[1]; - int s = -r - q; int k = ijk[2]; - int rad = std::max({std::abs(r), std::abs(q), std::abs(s)}); - int offset = 3 * (radius_ * (radius_ + 1) - rad * (rad + 1)); - int side, pos; - if ((q == rad) && (s == -rad)) { - side = 0; - pos = r; - } else if ((s == -rad) && (r == rad)) { - side = 1; - pos = -q; - } else if ((r == rad) && (q == -rad)) { - side = 2; - pos = -s; - } else if ((q == -rad) && (s == rad)) { - side = 3; - pos = -r; - } else if ((s == rad) && (r == -rad)) { - side = 4; - pos = q; + int hexes = 3 * radius_ * (radius_ + 1) + 1; + int bin = k * (grid_.size() - 1) * hexes; + int rad = std::max({std::abs(r), std::abs(q), std::abs(r + q)}); + if (rad == 0) + return bin; + + bin += 3 * rad * (rad - 1) + 1; + + if ((q == k) and (r <= 0)) { + bin += std::abs(r); + } else if ((r == -rad) && (q >= 0)) { + bin += (2 * rad - q); + } else if (q + r == -rad) { + bin += (2 * rad + std::abs(q)); + } else if (q == -rad) { + bin += (3 * rad + std::abs(r)); + } else if (r == rad) { + bin += (5 * rad + q); } else { - side = 5; - pos = s; + bin += (6 * rad - (q + r)); } - return (k - 1) * (grid_.size() - 1) + offset + side * rad + pos; + return bin; } StructuredMesh::MeshIndex HexagonalMesh::get_indices( @@ -2557,6 +2560,49 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices( return ijk; } +StructuredMesh::MeshIndex HexagonalMesh::get_indices_from_bin(int bin) const +{ + MeshIndex ijk = {0, 0, 0}; + int hexes = 3 * radius_ * (radius_ + 1) + 1; + ijk[2] = static_cast(std::floor(bin / hexes)); + int sp_idx = bin % hexes; + if (sp_idx == 0) { + return ijk; + } + int rad = + static_cast(std::ceil((3 + std::sqrt(9 + 12 * (sp_idx - 1))) / 6) - 1); + int offset = sp_idx - (3 * rad * (rad - 1) + 1); + int side = offset / rad; + int dist = offset % rad; + switch (side) { + case 0: + ijk[0] = rad; + ijk[1] = -dist; + break; + case 1: + ijk[0] = rad - dist; + ijk[1] = -rad; + break; + case 2: + ijk[0] = -dist; + ijk[1] = -rad + dist; + break; + case 3: + ijk[0] = -rad; + ijk[1] = dist; + break; + case 4: + ijk[0] = -rad + dist; + ijk[1] = rad; + break; + case 5: + ijk[0] = dist; + ijk[1] = rad - dist; + break; + } + return ijk; +} + Position HexagonalMesh::sample_element( const MeshIndex& ijk, uint64_t* seed) const { @@ -2688,7 +2734,7 @@ int HexagonalMesh::set_grid() n_dimension_ = 4; correlated_axes_ = {{0, 1, 2}, {0, 1, 2}, {0, 1, 2}, {3}}; - labels_ = {"r", "q", "s", "z"}; + axes_labels_ = {"r", "q", "s", "z"}; if (orientation_ == Orientation::x) { q_ = {std::sqrt(3.0), 0.0, 0.0}; diff --git a/src/tallies/filter_meshsurface.cpp b/src/tallies/filter_meshsurface.cpp index d3096fb114b..6012d441b44 100644 --- a/src/tallies/filter_meshsurface.cpp +++ b/src/tallies/filter_meshsurface.cpp @@ -30,115 +30,11 @@ std::string MeshSurfaceFilter::text_label(int bin) const // Get flattend mesh index and surface index. int i_mesh = bin / (4 * n_dim); + int i_surf = bin % (4 * n_dim); - // Get mesh index part of label. std::string out = MeshFilter::text_label(i_mesh); - auto surf_dir = (bin % (4 * n_dim)); - if (n_dim < 4) { - // Get surface part of label. - switch (surf_dir) { - case 0: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[0]); - break; - case 1: - out += fmt::format(" Incoming, {}-min", mesh->labels_[0]); - break; - case 2: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[0]); - break; - case 3: - out += fmt::format(" Incoming, {}-max", mesh->labels_[0]); - break; - case 4: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[1]); - break; - case 5: - out += fmt::format(" Incoming, {}-min", mesh->labels_[1]); - break; - case 6: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[1]); - break; - case 7: - out += fmt::format(" Incoming, {}-max", mesh->labels_[1]); - break; - case 8: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[2]); - break; - case 9: - out += fmt::format(" Incoming, {}-min", mesh->labels_[2]); - break; - case 10: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[2]); - break; - case 11: - out += fmt::format(" Incoming, {}-max", mesh->labels_[2]); - break; - } - } else { - // Get surface part of label. - switch (surf_dir) { - case 0: - out += fmt::format( - " Outgoing, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); - break; - case 1: - out += fmt::format( - " Incoming, {}-min {}-max", mesh->labels_[0], mesh->labels_[1]); - break; - case 2: - out += fmt::format( - " Outgoing, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); - break; - case 3: - out += fmt::format( - " Incoming, {}-max {}-min", mesh->labels_[0], mesh->labels_[1]); - break; - case 4: - out += fmt::format( - " Outgoing, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); - break; - case 5: - out += fmt::format( - " Incoming, {}-min {}-max", mesh->labels_[1], mesh->labels_[2]); - break; - case 6: - out += fmt::format( - " Outgoing, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); - break; - case 7: - out += fmt::format( - " Incoming, {}-max {}-min", mesh->labels_[1], mesh->labels_[2]); - break; - case 8: - out += fmt::format( - " Outgoing, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); - break; - case 9: - out += fmt::format( - " Incoming, {}-min {}-max", mesh->labels_[2], mesh->labels_[0]); - break; - case 10: - out += fmt::format( - " Outgoing, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); - break; - case 11: - out += fmt::format( - " Incoming, {}-max {}-min", mesh->labels_[2], mesh->labels_[0]); - break; - case 12: - out += fmt::format(" Outgoing, {}-min", mesh->labels_[3]); - break; - case 13: - out += fmt::format(" Incoming, {}-min", mesh->labels_[3]); - break; - case 14: - out += fmt::format(" Outgoing, {}-max", mesh->labels_[3]); - break; - case 15: - out += fmt::format(" Incoming, {}-max", mesh->labels_[3]); - break; - } - } + out += " "; + out += mesh->surface_label(i_surf); return out; } From 698586822dad6cefd56be0df65058857cff18c67 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 18:47:03 +0200 Subject: [PATCH 37/46] fix typo --- src/mesh.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 84597fd46ae..d61c7af7338 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2495,7 +2495,7 @@ int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const int q = ijk[1]; int k = ijk[2]; int hexes = 3 * radius_ * (radius_ + 1) + 1; - int bin = k * (grid_.size() - 1) * hexes; + int bin = (k - 1) * (grid_.size() - 1) * hexes; int rad = std::max({std::abs(r), std::abs(q), std::abs(r + q)}); if (rad == 0) return bin; From 2a19a85dcfed2811c200faf20e61c4348ff5bdd9 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 19:26:20 +0200 Subject: [PATCH 38/46] wip --- src/mesh.cpp | 49 ++++++++++++++++++++++++------------------------- 1 file changed, 24 insertions(+), 25 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index d61c7af7338..c3c0a1661f0 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2502,18 +2502,18 @@ int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const bin += 3 * rad * (rad - 1) + 1; - if ((q == k) and (r <= 0)) { - bin += std::abs(r); - } else if ((r == -rad) && (q >= 0)) { - bin += (2 * rad - q); - } else if (q + r == -rad) { - bin += (2 * rad + std::abs(q)); - } else if (q == -rad) { - bin += (3 * rad + std::abs(r)); - } else if (r == rad) { - bin += (5 * rad + q); + if ((q >= 0) and (r >= 0)) { + bin += q; + } else if ((r < 0) && (-r - q < 0)) { + bin += (rad - q); + } else if ((q >= 0) && (-q - r >= 0)) { + bin += (2 * rad - q - r); + } else if ((q < 0) && (r < 0)) { + bin += (3 * rad - q); + } else if ((r >= 0) && (-q - r >= 0)) { + bin += (4 * rad + r); } else { - bin += (6 * rad - (q + r)); + bin += (5 * rad + (q + r)); } return bin; } @@ -2564,40 +2564,39 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices_from_bin(int bin) const { MeshIndex ijk = {0, 0, 0}; int hexes = 3 * radius_ * (radius_ + 1) + 1; - ijk[2] = static_cast(std::floor(bin / hexes)); + ijk[2] = static_cast(std::ceil(bin / hexes)); int sp_idx = bin % hexes; if (sp_idx == 0) { return ijk; } - int rad = - static_cast(std::ceil((3 + std::sqrt(9 + 12 * (sp_idx - 1))) / 6) - 1); + int rad = static_cast(std::floor((3 + std::sqrt(12 * sp_idx - 3)) / 6)); int offset = sp_idx - (3 * rad * (rad - 1) + 1); - int side = offset / rad; + int side = (offset / rad) % 6; int dist = offset % rad; switch (side) { case 0: + ijk[0] = dist; + ijk[1] = rad - dist; + break; + case 1: ijk[0] = rad; ijk[1] = -dist; break; - case 1: + case 2: ijk[0] = rad - dist; ijk[1] = -rad; break; - case 2: + case 3: ijk[0] = -dist; - ijk[1] = -rad + dist; + ijk[1] = dist - rad; break; - case 3: + case 4: ijk[0] = -rad; ijk[1] = dist; break; - case 4: - ijk[0] = -rad + dist; - ijk[1] = rad; - break; case 5: - ijk[0] = dist; - ijk[1] = rad - dist; + ijk[0] = dist - rad; + ijk[1] = rad; break; } return ijk; From 554e1d438b525fbf574ee2af8d33e6f797913cfd Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 20:02:54 +0200 Subject: [PATCH 39/46] fix typo --- openmc/mesh.py | 5 ++--- src/mesh.cpp | 18 +++++++++--------- 2 files changed, 11 insertions(+), 12 deletions(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index 1123d1838e5..3ae434387e9 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -2674,7 +2674,8 @@ def orientation(self, orientation): def indices(self): idx = [] for j in range(self.z_grid.size-1): - for rad in range(self.num_rings, 0, -1): + idx.append((0, 0, 0, j)) + for rad in range(1, self.num_rings+1): for i in range(rad): idx.append((i, rad-i, -rad, j)) idx.append((rad, -i, i-rad, j)) @@ -2682,8 +2683,6 @@ def indices(self): idx.append((-i, i-rad, rad, j)) idx.append((-rad, i, rad-i, j)) idx.append((i-rad, rad, -i, j)) - else: - idx.append((0, 0, 0, j)) return idx def __repr__(self): diff --git a/src/mesh.cpp b/src/mesh.cpp index c3c0a1661f0..f2d29562a6a 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2491,8 +2491,8 @@ int HexagonalMesh::n_bins() const int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const { - int r = ijk[0]; - int q = ijk[1]; + int q = ijk[0]; + int r = ijk[1]; int k = ijk[2]; int hexes = 3 * radius_ * (radius_ + 1) + 1; int bin = (k - 1) * (grid_.size() - 1) * hexes; @@ -2504,16 +2504,16 @@ int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const if ((q >= 0) and (r >= 0)) { bin += q; - } else if ((r < 0) && (-r - q < 0)) { - bin += (rad - q); - } else if ((q >= 0) && (-q - r >= 0)) { + } else if ((r < 0) && ((-r - q) < 0)) { + bin += (rad - r); + } else if ((q >= 0) && ((-q - r) >= 0)) { bin += (2 * rad - q - r); } else if ((q < 0) && (r < 0)) { bin += (3 * rad - q); - } else if ((r >= 0) && (-q - r >= 0)) { + } else if ((r >= 0) && ((-q - r) >= 0)) { bin += (4 * rad + r); } else { - bin += (5 * rad + (q + r)); + bin += (5 * rad + q + r); } return bin; } @@ -2564,7 +2564,7 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices_from_bin(int bin) const { MeshIndex ijk = {0, 0, 0}; int hexes = 3 * radius_ * (radius_ + 1) + 1; - ijk[2] = static_cast(std::ceil(bin / hexes)); + ijk[2] = static_cast(std::floor(bin / hexes)) + 1; int sp_idx = bin % hexes; if (sp_idx == 0) { return ijk; @@ -4220,7 +4220,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From 830839b48667da2b6e76d616a3e4b8d1d29d01d0 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 20:03:26 +0200 Subject: [PATCH 40/46] format fix --- src/mesh.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index f2d29562a6a..509a84dffd0 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -4220,7 +4220,7 @@ void LibMesh::set_score_data(const std::string& var_name, unsigned int std_dev_num = variable_map_.at(std_dev_name); for (auto it = m_->local_elements_begin(); it != m_->local_elements_end(); - it++) { + it++) { if (!(*it)->active()) { continue; } From 53a26d576c62a6d5b00b5a6731c02ddc9854f04f Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 20:34:52 +0200 Subject: [PATCH 41/46] improved docs --- docs/source/io_formats/tallies.rst | 15 ++++++++++++--- 1 file changed, 12 insertions(+), 3 deletions(-) diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst index dc57e577511..ea9621d3cb4 100644 --- a/docs/source/io_formats/tallies.rst +++ b/docs/source/io_formats/tallies.rst @@ -362,7 +362,7 @@ attributes/sub-elements: :type: The type of mesh. This can be either "regular", "rectilinear", - "cylindrical", "spherical", or "unstructured". + "cylindrical", "spherical", "hexagonal", or "unstructured". :dimension: The number of mesh cells in each direction. (For regular mesh only.) @@ -379,6 +379,9 @@ attributes/sub-elements: The upper-right corner of the structured mesh. If only two coordinates are given, it is assumed that the mesh is an x-y mesh. (For regular mesh only.) + :pitch: + The mesh radial pitch. (For hexagonal mesh only.) + :width: The width of mesh cells in each direction. (For regular mesh only.) @@ -389,7 +392,7 @@ attributes/sub-elements: The mesh divisions along the y-axis. (For rectilinear mesh only.) :z_grid: - The mesh divisions along the z-axis. (For rectilinear and cylindrical meshes only.) + The mesh divisions along the z-axis. (For rectilinear, cylindrical and hexagonal meshes only.) :r_grid: The mesh divisions along the r-axis. (For cylindrical and spherical meshes only.) @@ -400,8 +403,14 @@ attributes/sub-elements: :theta_grid: The mesh divisions along the theta-axis. (For spherical mesh only.) + :num_rings: + The number of hexagonal rings. (For hexagonal mesh only.) + + :orientation: + The orientation of the hexagonal mesh, either "x" or "y". (For hexagonal mesh only.) + :origin: - The origin in cartesian coordinates. (For cylindrical and spherical meshes only.) + The origin in cartesian coordinates. (For cylindrical, spherical and hexagonal meshes only.) :library: The mesh library used to represent an unstructured mesh. This can be either From fbd3a15e1fb992bbd9fb6dbed64dc63b79afe322 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 20:45:27 +0200 Subject: [PATCH 42/46] simplify --- openmc/mesh.py | 18 +++++++++--------- src/mesh.cpp | 19 ++++++++++--------- 2 files changed, 19 insertions(+), 18 deletions(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index 3ae434387e9..00d7198fd7d 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -2703,9 +2703,9 @@ def __repr__(self): def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str): # Read and assign mesh properties mesh = cls( - z_grid = group['grid'][()], - pitch = np.sqrt(3)*group.attrs['size'], - num_rings = group.attrs['radius'], + z_grid = group['z_grid'][()], + pitch = group.attrs['pitch'], + num_rings = group.attrs['num_rings'], mesh_id=mesh_id, name=name ) @@ -2728,11 +2728,11 @@ def to_xml_element(self): element = super().to_xml_element() element.set("type", "hexagonal") - element.set("size", str(self.pitch/np.sqrt(3))) - element.set("radius", str(self.num_rings)) + element.set("pitch", str(self.pitch)) + element.set("num_rings", str(self.num_rings)) element.set("orientation", str(self.orientation)) - subelement = ET.SubElement(element, "grid") + subelement = ET.SubElement(element, "z_grid") subelement.text = ' '.join(map(str, self.z_grid)) subelement = ET.SubElement(element, "origin") @@ -2758,9 +2758,9 @@ def from_xml_element(cls, elem: ET.Element): mesh_id = int(get_text(elem, 'id')) mesh = cls( mesh_id=mesh_id, - z_grid = get_elem_list(elem, "grid", float), - pitch = float(get_text(elem, "size"))*np.sqrt(3), - num_rings = int(get_text(elem, "radius")), + z_grid = get_elem_list(elem, "z_grid", float), + pitch = float(get_text(elem, "pitch")), + num_rings = int(get_text(elem, "num_rings")), orientation = get_text(elem, "orientation"), origin = get_elem_list(elem, "origin", float) or [0., 0., 0.], ) diff --git a/src/mesh.cpp b/src/mesh.cpp index 509a84dffd0..67985143cd7 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2412,9 +2412,9 @@ double SphericalMesh::volume(const MeshIndex& ijk) const HexagonalMesh::HexagonalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { - grid_ = get_node_array(node, "grid"); - radius_ = std::stoi(get_node_value(node, "radius")); - size_ = std::stod(get_node_value(node, "size")); + grid_ = get_node_array(node, "z_grid"); + radius_ = std::stoi(get_node_value(node, "num_rings")); + size_ = std::stod(get_node_value(node, "pitch")) / std::sqrt(3.0); origin_ = get_node_position(node, "origin"); // Read the orientation. Default to 'y'. @@ -2434,9 +2434,10 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) HexagonalMesh::HexagonalMesh(hid_t group) : PeriodicStructuredMesh {group} { - read_dataset(group, "grid", grid_); - read_attribute(group, "radius", radius_); - read_attribute(group, "size", size_); + read_dataset(group, "z_grid", grid_); + read_attribute(group, "num_rings", radius_); + read_attribute(group, "pitch", size_); + size_ /= std::sqrt(3.0); read_dataset(group, "origin", origin_); if (attribute_exists(group, "orientation")) { @@ -2783,11 +2784,11 @@ std::pair, vector> HexagonalMesh::plot( void HexagonalMesh::to_hdf5_inner(hid_t mesh_group) const { - write_dataset(mesh_group, "grid", grid_); + write_dataset(mesh_group, "z_grid", grid_); if (orientation_ == Orientation::x) write_attribute(mesh_group, "orientation", "x"); - write_attribute(mesh_group, "radius", radius_); - write_attribute(mesh_group, "size", size_); + write_attribute(mesh_group, "num_rings", radius_); + write_attribute(mesh_group, "pitch", size_ * std::sqrt(3.0)); write_dataset(mesh_group, "origin", origin_); } From 56967eea6b1103e8faf3bc9f501e9c68919a0a24 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 21:17:49 +0200 Subject: [PATCH 43/46] simplify --- include/openmc/mesh.h | 19 +++-------- src/mesh.cpp | 78 ++++++++++++++++++++++++++----------------- 2 files changed, 52 insertions(+), 45 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 3238c1cdff8..326c16182b7 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -369,11 +369,9 @@ class StructuredMesh : public Mesh { //! Check if mesh indices are inside mesh // //! \param[in] Array of mesh indices + //! \param[in] k Suspect axis //! \return are indices inside mesh? - virtual bool index_inside_mesh(const MeshIndex& ijk, int k) const - { - return ((ijk[k] >= 1) && (ijk[k] <= shape_[k])); - } + virtual bool valid_index(const MeshIndex& ijk, int k) const; //! Get mesh indices corresponding to a mesh bin // @@ -761,14 +759,7 @@ class HexagonalMesh : public PeriodicStructuredMesh { //! \return ijk Mesh indices MeshIndex get_indices_from_bin(int bin) const override; - bool index_inside_mesh(const MeshIndex& ijk, int k) const override - { - if (k == 3) - return ((ijk[2] >= 1) && (ijk[2] < grid_.size())); - int rad = - std::max({std::abs(ijk[0]), std::abs(ijk[1]), std::abs(ijk[0] + ijk[1])}); - return (rad <= radius_); - } + bool valid_index(const MeshIndex& ijk, int k) const override; int get_bin_from_indices(const MeshIndex& ijk) const override; @@ -793,8 +784,8 @@ class HexagonalMesh : public PeriodicStructuredMesh { int set_grid(); // Data members - int radius_; - double size_; + int num_rings_; + double pitch_; vector grid_; Direction q_; Direction r_; diff --git a/src/mesh.cpp b/src/mesh.cpp index 67985143cd7..e41d8c1a48f 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -1049,6 +1049,11 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices( return ijk; } +bool StructuredMesh::valid_index(const MeshIndex& ijk, int k) const +{ + return ((ijk[k] >= 1) && (ijk[k] <= shape_[k])); +} + int StructuredMesh::get_bin_from_indices(const MeshIndex& ijk) const { switch (n_dimension_) { @@ -1177,19 +1182,19 @@ void StructuredMesh::raytrace_mesh( const int n = n_dimension_; // Flag if position is inside the mesh - bool inside_mesh; + bool in_mesh; // Position is r = r0 + u * traveled_distance, start at r0 double traveled_distance {0.0}; // Calculate index of current cell. Offset the position a tiny bit in // direction of flight - MeshIndex ijk = get_indices(global_r + TINY_BIT * u, inside_mesh); + MeshIndex ijk = get_indices(global_r + TINY_BIT * u, in_mesh); // if track is very short, assume that it is completely inside one cell. // Only the current cell will score and no surfaces if (total_distance < 2 * TINY_BIT) { - if (inside_mesh) { + if (in_mesh) { tally.track(ijk, 1.0); } return; @@ -1203,7 +1208,7 @@ void StructuredMesh::raytrace_mesh( // Loop until r = r1 is eventually reached while (true) { - if (inside_mesh) { + if (in_mesh) { // find surface with minimal distance to current position const auto k = std::min_element(distances.begin(), distances.end()) - @@ -1233,11 +1238,11 @@ void StructuredMesh::raytrace_mesh( distance_to_grid_boundary(ijk, j, local_r, u, traveled_distance); // Check if we have left the interior of the mesh - inside_mesh = index_inside_mesh(ijk, k); + in_mesh = valid_index(ijk, k); // If we are still inside the mesh, tally inward current for the next // cell - if (inside_mesh) + if (in_mesh) tally.surface(ijk, k, !distances[k].max_surface, true); } else { // not inside mesh @@ -1250,15 +1255,14 @@ void StructuredMesh::raytrace_mesh( // Calculate the new cell index and update all distances to next // surfaces. - ijk = - get_indices(global_r + (traveled_distance + TINY_BIT) * u, inside_mesh); + ijk = get_indices(global_r + (traveled_distance + TINY_BIT) * u, in_mesh); for (int k = 0; k < n; ++k) { distances[k] = distance_to_grid_boundary(ijk, k, local_r, u, traveled_distance); } // If inside the mesh, Tally inward current - if (inside_mesh && k_max >= 0) + if (in_mesh && k_max >= 0) tally.surface(ijk, k_max, !distances[k_max].max_surface, true); } } @@ -2413,8 +2417,8 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) : PeriodicStructuredMesh {node} { grid_ = get_node_array(node, "z_grid"); - radius_ = std::stoi(get_node_value(node, "num_rings")); - size_ = std::stod(get_node_value(node, "pitch")) / std::sqrt(3.0); + num_rings_ = std::stoi(get_node_value(node, "num_rings")); + pitch_ = std::stod(get_node_value(node, "pitch")); origin_ = get_node_position(node, "origin"); // Read the orientation. Default to 'y'. @@ -2435,9 +2439,8 @@ HexagonalMesh::HexagonalMesh(pugi::xml_node node) HexagonalMesh::HexagonalMesh(hid_t group) : PeriodicStructuredMesh {group} { read_dataset(group, "z_grid", grid_); - read_attribute(group, "num_rings", radius_); - read_attribute(group, "pitch", size_); - size_ /= std::sqrt(3.0); + read_attribute(group, "num_rings", num_rings_); + read_attribute(group, "pitch", pitch_); read_dataset(group, "origin", origin_); if (attribute_exists(group, "orientation")) { @@ -2487,7 +2490,16 @@ std::string HexagonalMesh::surface_label(int surface) const int HexagonalMesh::n_bins() const { - return (1 + 3 * (radius_ + 1) * radius_) * (grid_.size() - 1); + return (1 + 3 * (num_rings_ + 1) * num_rings_) * (grid_.size() - 1); +} + +bool HexagonalMesh::valid_index(const MeshIndex& ijk, int k) const +{ + if (k == 3) + return ((ijk[2] >= 1) && (ijk[2] < grid_.size())); + int ring = + std::max({std::abs(ijk[0]), std::abs(ijk[1]), std::abs(ijk[0] + ijk[1])}); + return (ring <= num_rings_); } int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const @@ -2495,7 +2507,7 @@ int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const int q = ijk[0]; int r = ijk[1]; int k = ijk[2]; - int hexes = 3 * radius_ * (radius_ + 1) + 1; + int hexes = 3 * num_rings_ * (num_rings_ + 1) + 1; int bin = (k - 1) * (grid_.size() - 1) * hexes; int rad = std::max({std::abs(r), std::abs(q), std::abs(r + q)}); if (rad == 0) @@ -2553,7 +2565,7 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices( ijk[1] = r_i; ijk[2] = z_i; - if (std::max({std::abs(q_i), std::abs(r_i), std::abs(s_i)}) > radius_) + if (std::max({std::abs(q_i), std::abs(r_i), std::abs(s_i)}) > num_rings_) in_mesh = false; if (ijk[2] < 1 || ijk[2] > grid_.size() - 1) in_mesh = false; @@ -2564,7 +2576,7 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices( StructuredMesh::MeshIndex HexagonalMesh::get_indices_from_bin(int bin) const { MeshIndex ijk = {0, 0, 0}; - int hexes = 3 * radius_ * (radius_ + 1) + 1; + int hexes = 3 * num_rings_ * (num_rings_ + 1) + 1; ijk[2] = static_cast(std::floor(bin / hexes)) + 1; int sp_idx = bin % hexes; if (sp_idx == 0) { @@ -2606,12 +2618,13 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices_from_bin(int bin) const Position HexagonalMesh::sample_element( const MeshIndex& ijk, uint64_t* seed) const { + double radius = pitch_ / std::sqrt(3.0); double q0 = ijk[0]; double r0 = ijk[1]; double z = uniform_distribution(grid_[ijk[2] - 1], grid_[ijk[2]], seed); double q, r, s; do { - double rad = std::cbrt(uniform_distribution(0.0, std::pow(size_, 3), seed)); + double rad = std::cbrt(prn(seed)) * radius; double phi = uniform_distribution(0.0, 2 * PI, seed); double x = rad * std::cos(phi); double y = rad * std::sin(phi); @@ -2620,7 +2633,7 @@ Position HexagonalMesh::sample_element( s = -q - r; } while (std::max({std::abs(q), std::abs(r), std::abs(s)}) > 1); - return origin_ + size_ * ((q + q0) * q_ + (r + r0) * r_) + z; + return origin_ + radius * ((q + q0) * q_ + (r + r0) * r_) + z; } StructuredMesh::MeshDistance HexagonalMesh::find_z_crossing( @@ -2688,11 +2701,11 @@ StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( idx[2] -= offset[2]; } int radius = std::max({std::abs(idx[0]), std::abs(idx[1]), std::abs(idx[2])}); - if (d.max_surface && radius <= radius_) { + if (d.max_surface && radius <= num_rings_) { d.offset[0] += offset[0]; d.offset[1] += offset[1]; d.distance = distance; - } else if (!d.max_surface && radius <= radius_) { + } else if (!d.max_surface && radius <= num_rings_) { d.offset[0] -= offset[0]; d.offset[1] -= offset[1]; d.distance = distance; @@ -2713,9 +2726,9 @@ double HexagonalMesh::distance_to_mesh(const MeshIndex& ijk, for (int k = 0; k < n; ++k) { if (distances[k].distance <= traveled_distance) continue; - if ((k < 2) && (std::abs(ijk[k]) <= radius_)) + if ((k < 2) && (std::abs(ijk[k]) <= num_rings_)) continue; - if ((k == 2) && std::abs(ijk[0] + ijk[1]) <= radius_) + if ((k == 2) && std::abs(ijk[0] + ijk[1]) <= num_rings_) continue; if ((k == 3) && ijk[2] >= 1 && ijk[2] < grid_.size()) continue; @@ -2748,10 +2761,12 @@ int HexagonalMesh::set_grid() r_dual_ = {-1.0 / 3.0, -std::sqrt(3.0) / 3.0, 0.0}; } - q_ *= size_; - r_ *= size_; - q_dual_ /= size_; - r_dual_ /= size_; + double size = pitch_ / std::sqrt(3.0); + + q_ *= size; + r_ *= size; + q_dual_ /= size; + r_dual_ /= size; if (grid_.size() < 2) { set_errmsg("z- grid for hexagonal meshes " @@ -2787,17 +2802,18 @@ void HexagonalMesh::to_hdf5_inner(hid_t mesh_group) const write_dataset(mesh_group, "z_grid", grid_); if (orientation_ == Orientation::x) write_attribute(mesh_group, "orientation", "x"); - write_attribute(mesh_group, "num_rings", radius_); - write_attribute(mesh_group, "pitch", size_ * std::sqrt(3.0)); + write_attribute(mesh_group, "num_rings", num_rings_); + write_attribute(mesh_group, "pitch", pitch_); write_dataset(mesh_group, "origin", origin_); } double HexagonalMesh::volume(const MeshIndex& ijk) const { double f = 1.5 * std::sqrt(3.0); + double size = pitch_ / std::sqrt(3.0); double z_i = grid_[ijk[2] - 1]; double z_o = grid_[ijk[2]]; - return f * (z_o - z_i) * size_ * size_; + return f * (z_o - z_i) * size * size; } //============================================================================== From af297eddfbcc652b271584b99de7f8cf2c70f6a6 Mon Sep 17 00:00:00 2001 From: GuySten Date: Tue, 10 Mar 2026 21:23:11 +0200 Subject: [PATCH 44/46] simplify --- src/mesh.cpp | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index e41d8c1a48f..5808d7c21e8 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2499,7 +2499,7 @@ bool HexagonalMesh::valid_index(const MeshIndex& ijk, int k) const return ((ijk[2] >= 1) && (ijk[2] < grid_.size())); int ring = std::max({std::abs(ijk[0]), std::abs(ijk[1]), std::abs(ijk[0] + ijk[1])}); - return (ring <= num_rings_); + return (ring < num_rings_); } int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const @@ -2565,7 +2565,7 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices( ijk[1] = r_i; ijk[2] = z_i; - if (std::max({std::abs(q_i), std::abs(r_i), std::abs(s_i)}) > num_rings_) + if (std::max({std::abs(q_i), std::abs(r_i), std::abs(s_i)}) >= num_rings_) in_mesh = false; if (ijk[2] < 1 || ijk[2] > grid_.size() - 1) in_mesh = false; @@ -2701,11 +2701,11 @@ StructuredMesh::MeshDistance HexagonalMesh::distance_to_grid_boundary( idx[2] -= offset[2]; } int radius = std::max({std::abs(idx[0]), std::abs(idx[1]), std::abs(idx[2])}); - if (d.max_surface && radius <= num_rings_) { + if (d.max_surface && (radius < num_rings_)) { d.offset[0] += offset[0]; d.offset[1] += offset[1]; d.distance = distance; - } else if (!d.max_surface && radius <= num_rings_) { + } else if (!d.max_surface && (radius < num_rings_)) { d.offset[0] -= offset[0]; d.offset[1] -= offset[1]; d.distance = distance; @@ -2726,11 +2726,11 @@ double HexagonalMesh::distance_to_mesh(const MeshIndex& ijk, for (int k = 0; k < n; ++k) { if (distances[k].distance <= traveled_distance) continue; - if ((k < 2) && (std::abs(ijk[k]) <= num_rings_)) + if ((k < 2) && (std::abs(ijk[k]) < num_rings_)) continue; - if ((k == 2) && std::abs(ijk[0] + ijk[1]) <= num_rings_) + if ((k == 2) && (std::abs(ijk[0] + ijk[1]) < num_rings_)) continue; - if ((k == 3) && ijk[2] >= 1 && ijk[2] < grid_.size()) + if ((k == 3) && (ijk[2] >= 1) && (ijk[2] < grid_.size())) continue; traveled_distance = distances[k].distance; k_max = k; From 42dd2e138494faf92d78f4c023782fa6e1ed70c3 Mon Sep 17 00:00:00 2001 From: GuySten Date: Wed, 11 Mar 2026 15:17:31 +0200 Subject: [PATCH 45/46] updated bounding box methods --- openmc/mesh.py | 24 ++++++++++++++++++++++-- 1 file changed, 22 insertions(+), 2 deletions(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index 00d7198fd7d..7feac1d1954 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -2645,11 +2645,31 @@ def n_dimension(self): @property def lower_left(self): - return + p = self.pitch + r = self.pitch/np.sqrt(3.0) + n = self.num_rings + offset = np.array([0,0,self.z_grid[0]]) + if self.orientation == 'x': + offset[0] = -p*(n-0.5) + offset[1] = -(1+1.5*(n-1))*r + else: + offset[0] = -(1+1.5*(n-1))*r + offset[1] = -p*(n-0.5) + return self.origin + offset @property def upper_right(self): - return + p = self.pitch + r = self.pitch/np.sqrt(3.0) + n = self.num_rings + offset = np.array([0,0,self.z_grid[-1]]) + if self.orientation == 'x': + offset[0] = p*(n-0.5) + offset[1] = (1+1.5*(n-1))*r + else: + offset[0] = (1+1.5*(n-1))*r + offset[1] = p*(n-0.5) + return self.origin + offset @property def num_rings(self): From a83e50173b32d53c04178892463f7159a226d6cf Mon Sep 17 00:00:00 2001 From: GuySten Date: Mon, 16 Mar 2026 18:41:45 +0200 Subject: [PATCH 46/46] bugfix --- include/openmc/mesh.h | 13 +++--- openmc/lib/mesh.py | 93 ++++++++++++++++++++++++++++++++++++++++++- openmc/mesh.py | 12 +++++- src/mesh.cpp | 28 +++++++++++-- 4 files changed, 133 insertions(+), 13 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 326c16182b7..cc09709d79a 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -783,6 +783,11 @@ class HexagonalMesh : public PeriodicStructuredMesh { int set_grid(); + enum class Orientation { + y, //!< Flat side of lattice parallel to y-axis + x //!< Flat side of lattice parallel to x-axis + }; + // Data members int num_rings_; double pitch_; @@ -791,15 +796,9 @@ class HexagonalMesh : public PeriodicStructuredMesh { Direction r_; Direction q_dual_; Direction r_dual_; - -private: - enum class Orientation { - y, //!< Flat side of lattice parallel to y-axis - x //!< Flat side of lattice parallel to x-axis - }; - Orientation orientation_ {Orientation::y}; +private: StructuredMesh::MeshDistance find_z_crossing( const Position& r, const Direction& u, double l, int shell) const; diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py index 19e6f74d7ad..f9223e1484a 100644 --- a/openmc/lib/mesh.py +++ b/openmc/lib/mesh.py @@ -18,7 +18,7 @@ __all__ = [ 'Mesh', 'RegularMesh', 'RectilinearMesh', 'CylindricalMesh', - 'SphericalMesh', 'UnstructuredMesh', 'meshes', 'MeshMaterialVolumes' + 'SphericalMesh', 'HexagonalMesh', 'UnstructuredMesh', 'meshes', 'MeshMaterialVolumes' ] @@ -108,6 +108,11 @@ _dll.openmc_spherical_mesh_set_grid.restype = c_int _dll.openmc_spherical_mesh_set_grid.errcheck = _error_handler +_dll.openmc_hexagonal_mesh_get_grid.argtypes = [c_int32, + POINTER(POINTER(c_double)), POINTER(c_int), POINTER(c_double), + POINTER(POINTER(c_double)), POINTER(c_double), POINTER(c_char_p)] +_dll.openmc_hexagonal_mesh_get_grid.restype = c_int +_dll.openmc_hexagonal_mesh_get_grid.errcheck = _error_handler class Mesh(_FortranObjectWithID): """Base class to represent mesh objects @@ -727,6 +732,91 @@ def set_grid(self, r_grid, theta_grid, phi_grid): ntheta, phi_grid, nphi) +class HexagonalMesh(Mesh): + """HexagonalMesh stored internally. + + This class exposes a mesh that is stored internally in the OpenMC + library. To obtain a view of a mesh with a given ID, use the + :data:`openmc.lib.meshes` mapping. + + Parameters + ---------- + index : int + Index in the `meshes` array. + + Attributes + ---------- + id : int + ID of the mesh + z_grid : numpy.ndarray + 1-D array of mesh boundary points along the z-axis. + pitch : float + Radial pitch of the hexagonal mesh in cm. + num_rings : int + Number of radial ring positions in the xy-plane + orientation : {'x', 'y'} + The orientation of the lattice. The 'x' orientation means that each + lattice element has two faces that are perpendicular to the x-axis, + while the 'y' orientation means that each lattice element has two faces + that are perpendicular to the y-axis. By default, the orientation is + 'y'. + origin : numpy.ndarray + 1-D array of length 3 the (x,y,z) origin of the mesh in + cartesian coordinates + n_elements : int + Total number of mesh elements. + volumes : numpy.ndarray + Volume of each mesh element in [cm^3] + bounding_box : openmc.BoundingBox + Axis-aligned bounding box of the mesh + + """ + mesh_type = 'hexagonal' + + def __init__(self, uid=None, new=True, index=None): + super().__init__(uid, new, index) + + @property + def n_elements(self): + z_grid, nr, *_ = self._get_parameters() + return (z_grid.size-1)*(3*nr*(nr-1)+1) + + @property + def num_rings(self): + return self._get_parameters()[1] + + @property + def pitch(self): + return self._get_parameters()[2] + + @property + def orientation(self): + return self._get_parameters()[4] + + @property + def origin(self): + return self._get_parameters()[3] + + @property + def z_grid(self): + return self._get_parameters()[0] + + def _get_parameters(self): + gz = POINTER(c_double)() + nz = c_int() + nr = c_int() + orig = POINTER(c_double)() + orient = c_char() + p = c_double() + # Call C API to get grid parameters + _dll.openmc_hexagonal_mesh_get_grid(self._index, gz, nz, nr, orig, p, orient) + + # Convert grid parameters to Numpy arrays + grid_z = as_array(gz, (nz.value,)) + origin = as_array(orig, (3,)) + + return (grid_z, nr, pitch, origin, orientation.decode()) + class UnstructuredMesh(Mesh): pass @@ -736,6 +826,7 @@ class UnstructuredMesh(Mesh): 'rectilinear': RectilinearMesh, 'cylindrical': CylindricalMesh, 'spherical': SphericalMesh, + 'hexagonal': HexagonalMesh, 'unstructured': UnstructuredMesh } diff --git a/openmc/mesh.py b/openmc/mesh.py index 7feac1d1954..5899a54ab48 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -2638,10 +2638,18 @@ def pitch(self, pitch): cv.check_type('mesh radial pitch', pitch, Real) cv.check_greater_than('mesh radial pitch', pitch, 0.0) self._pitch = pitch + + @property + def n_elements(self): + return (self.z_grid.size - 1)*(3*self.num_rings*(self.num_rings - 1) + 1) + + @property + def dimension(self): + return (self.n_elements,) @property def n_dimension(self): - return 4 + return 4 @property def lower_left(self): @@ -2695,7 +2703,7 @@ def indices(self): idx = [] for j in range(self.z_grid.size-1): idx.append((0, 0, 0, j)) - for rad in range(1, self.num_rings+1): + for rad in range(1, self.num_rings): for i in range(rad): idx.append((i, rad-i, -rad, j)) idx.append((rad, -i, i-rad, j)) diff --git a/src/mesh.cpp b/src/mesh.cpp index 5808d7c21e8..724393b7551 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2490,7 +2490,7 @@ std::string HexagonalMesh::surface_label(int surface) const int HexagonalMesh::n_bins() const { - return (1 + 3 * (num_rings_ + 1) * num_rings_) * (grid_.size() - 1); + return (1 + 3 * num_rings_ * (num_rings_ - 1)) * (grid_.size() - 1); } bool HexagonalMesh::valid_index(const MeshIndex& ijk, int k) const @@ -2507,7 +2507,7 @@ int HexagonalMesh::get_bin_from_indices(const MeshIndex& ijk) const int q = ijk[0]; int r = ijk[1]; int k = ijk[2]; - int hexes = 3 * num_rings_ * (num_rings_ + 1) + 1; + int hexes = 3 * num_rings_ * (num_rings_ - 1) + 1; int bin = (k - 1) * (grid_.size() - 1) * hexes; int rad = std::max({std::abs(r), std::abs(q), std::abs(r + q)}); if (rad == 0) @@ -2576,7 +2576,7 @@ StructuredMesh::MeshIndex HexagonalMesh::get_indices( StructuredMesh::MeshIndex HexagonalMesh::get_indices_from_bin(int bin) const { MeshIndex ijk = {0, 0, 0}; - int hexes = 3 * num_rings_ * (num_rings_ + 1) + 1; + int hexes = 3 * num_rings_ * (num_rings_ - 1) + 1; ijk[2] = static_cast(std::floor(bin / hexes)) + 1; int sp_idx = bin % hexes; if (sp_idx == 0) { @@ -3277,6 +3277,28 @@ extern "C" int openmc_spherical_mesh_set_grid(int32_t index, index, grid_x, nx, grid_y, ny, grid_z, nz); } +//! Get the hexagonal mesh grid +extern "C" int openmc_hexagonal_mesh_get_grid(int32_t index, double** grid_z, + int* nz, int* nr, double** origin, double* pitch, const char** orient) +{ + if (int err = check_mesh_type(index)) + return err; + HexagonalMesh* m = dynamic_cast(model::meshes[index].get()); + + if (m->grid_.empty()) { + set_errmsg("Mesh parameters have not been set."); + return OPENMC_E_ALLOCATE; + } + + *grid_z = m->grid_.data(); + *nz = m->grid_.size(); + *nr = m->num_rings_; + *origin = &m->origin_.x; + *pitch = m->pitch_; + *orient = (m->orientation_ == HexagonalMesh::Orientation::y) ? "y" : "x"; + return 0; +} + #ifdef OPENMC_DAGMC_ENABLED const std::string MOABMesh::mesh_lib_type = "moab";