From 238ab5210ee951dbfb6b91f0f14feac1a8e673ba Mon Sep 17 00:00:00 2001 From: NybergWISC Date: Fri, 10 Jun 2022 13:31:39 -0500 Subject: [PATCH 01/51] Initial Mesh Sampling Changes --- include/openmc/mesh.h | 17 +++++++++ src/mesh.cpp | 84 +++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 101 insertions(+) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index eece0f1ff..6bf49b221 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -75,6 +75,12 @@ public: // Methods + //! Sample a mesh volume using a certain seed + // + //! \param[in] seed Seed to use for random sampling + //! \param[out] r Position within tet + virtual Position sample(uint64_t* seed) const=0; + //! Determine which bins were crossed by a particle // //! \param[in] r0 Previous position of the particle @@ -160,6 +166,8 @@ public: } }; + Position sample(uint64_t* seed) const override; + int get_bin(Position r) const override; int n_bins() const override; @@ -460,7 +468,12 @@ public: static const std::string mesh_type; virtual std::string get_mesh_type() const override; + //! Sample a tetrahedron for an unstructured mesh + virtual Position sample_tet(std::array coords, uint64_t* seed) const; + // Overridden Methods + // TODO Position sample(uint64_t* seed) const=0; + void surface_bins_crossed(Position r0, Position r1, const Direction& u, vector& bins) const override; @@ -552,6 +565,8 @@ public: // Overridden Methods + Position sample(uint64_t* seed) const override; + void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; @@ -714,6 +729,8 @@ public: void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; + Position sample(uint64_t* seed) const override; + int get_bin(Position r) const override; int n_bins() const override; diff --git a/src/mesh.cpp b/src/mesh.cpp index d9ad0ce8a..191f0af5d 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -195,6 +195,37 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node) } } +// Sample barycentric coordinates given a seed and the vertex positions and return the sampled position +Position UnstructuredMesh::sample_tet(std::array coords, uint64_t* seed) const { + // Uniform distribution + double s = prn(seed); + double t = prn(seed); + double u = prn(seed); + + // From PyNE implementation of moab tet sampling + // C. Rocchini and P. Cignoni, “Generating Random Points in a Tetrahedron,” + if (s + t > 1) { + s = 1.0 - s; + t = 1.0 - t; + } + if (s + t + u > 1) { + if (t + u > 1) { + double old_t = t; + t = 1.0 - u; + u = 1.0 - s - old_t; + }else if (t + u <= 1) { + double old_s = s; + s = 1.0 - t - u; + u = old_s + t + u - 1; + } + } + return s*(coords[1]-coords[0]) + + t*(coords[2]-coords[0]) + + u*(coords[3]-coords[0]) + + coords[0]; + +} + const std::string UnstructuredMesh::mesh_type = "unstructured"; std::string UnstructuredMesh::get_mesh_type() const @@ -327,6 +358,10 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const return ijk; } +Position StructuredMesh::sample(uint64_t* seed) const { + fatal_error("Position sampling on structured meshes is not yet implemented"); +} + int StructuredMesh::get_bin(Position r) const { // Determine indices @@ -2049,6 +2084,36 @@ std::string MOABMesh::library() const return mesh_lib_type; } +// Sample position within a tet for MOAB type tets +Position MOABMesh::sample(uint64_t* seed) const { + // Get bin # assuming equal weights, IMP weigh by activity + int64_t tet_bin = round(n_bins()*prn(seed)); + + moab::EntityHandle tet_ent = get_ent_handle_from_bin(tet_bin); + + // Get vertex coordinates for MOAB tet + vector conn1; + moab::ErrorCode rval = mbi_->get_connectivity(&tet_ent, 1, conn1); + if (rval != moab::MB_SUCCESS) { + fatal_error("Failed to get tet connectivity"); + } + moab::CartVect p[4]; + rval = mbi_->get_coords(conn1.data(), conn1.size(), p[0].array()); + if (rval != moab::MB_SUCCESS) { + fatal_error("Failed to get tet coords"); + } + + std::array tet_verts; + for (int i = 0; i < 4; i++) { + tet_verts[i] = {p[i][0], p[i][1], p[i][2]}; + } + // Samples position within tet using Barycentric stuff + Position r = this->sample_tet(tet_verts, seed); + + return r; +} + + double MOABMesh::tet_volume(moab::EntityHandle tet) const { vector conn; @@ -2501,6 +2566,25 @@ void LibMesh::initialize() bbox_ = libMesh::MeshTools::create_bounding_box(*m_); } +// Sample position within a tet for LibMesh type tets +Position LibMesh::sample(uint64_t* seed) const { + // Get bin # assuming equal weights, IMP weigh by activity + int64_t tet_xi = round(n_bins()*prn(seed)); + + const auto& elem = get_element_from_bin(tet_xi); + + // Get tet vertex coordinates from LibMesh + std::array tet_verts; + for (int i = 0; i < elem.n_nodes(); i++) { + auto node_ref = elem.node_ref(i); + tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)}; + } + // Samples position within tet using Barycentric coordinates + Position r = this->sample_tet(tet_verts, seed); + + return r; +} + Position LibMesh::centroid(int bin) const { const auto& elem = this->get_element_from_bin(bin); From 80077ed3fd04758a1fb10095648e977b515a5305 Mon Sep 17 00:00:00 2001 From: NybergWISC Date: Tue, 21 Jun 2022 12:06:45 -0500 Subject: [PATCH 02/51] New changes to spatial distribution and source to include mesh sources. Made some edits suggested by Shriwise, now compiles successfully --- include/openmc/distribution_spatial.h | 19 +++++++++++++++++++ src/distribution_spatial.cpp | 25 +++++++++++++++++++++++++ src/mesh.cpp | 6 ++++-- src/source.cpp | 2 ++ 4 files changed, 50 insertions(+), 2 deletions(-) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 5e426b878..8a77a4bd3 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -5,6 +5,7 @@ #include "openmc/distribution.h" #include "openmc/position.h" +#include "openmc/mesh.h" namespace openmc { @@ -94,6 +95,24 @@ private: Position origin_; //!< Cartesian coordinates of the sphere center }; +//============================================================================== +//! Distribution of points within a mesh +//============================================================================== + +class MeshIndependent : public SpatialDistribution { +public: + explicit MeshIndependent(pugi::xml_node node); + + //! Sample a position from the distribution + //! \param seed Pseudorandom number seed pointer + //! \return Sampled position + Position sample(uint64_t* seed) const; + +private: + UnstructuredMesh* umesh_ptr_; + Position sampled_; +}; + //============================================================================== //! Uniform distribution of points over a box //============================================================================== diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index a06f84d80..f78c2c49b 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -180,6 +180,31 @@ Position SphericalIndependent::sample(uint64_t* seed) const return {x, y, z}; } +//============================================================================== +// MeshIndependent implementation +//============================================================================== + +// Loosely adapted Patrick's code shown here +MeshIndependent::MeshIndependent(pugi::xml_node node) +{ + // No in-tet distributions implemented, could include distributions for the barycentric coords + + int32_t mesh_id = std::stoi(get_node_value(node, "mesh")); + const auto& mesh_ptr = model::meshes[mesh_id]; + + // line from Patrick code, unsure of use + // int bin = mesh_ptr->get_bin(); + const UnstructuredMesh* umesh_ptr_ = dynamic_cast(mesh_ptr.get()); + if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); } +} + +Position MeshIndependent::sample(uint64_t* seed) const +{ + Position sampled_ = umesh_ptr_->sample(seed); + return sampled_; +} + + //============================================================================== // SpatialBox implementation //============================================================================== diff --git a/src/mesh.cpp b/src/mesh.cpp index 191f0af5d..56d793079 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2087,7 +2087,8 @@ std::string MOABMesh::library() const // Sample position within a tet for MOAB type tets Position MOABMesh::sample(uint64_t* seed) const { // Get bin # assuming equal weights, IMP weigh by activity - int64_t tet_bin = round(n_bins()*prn(seed)); + // This may underweigh first and last bins + int64_t tet_bin = trunc(n_bins()*prn(seed)); moab::EntityHandle tet_ent = get_ent_handle_from_bin(tet_bin); @@ -2569,7 +2570,8 @@ void LibMesh::initialize() // Sample position within a tet for LibMesh type tets Position LibMesh::sample(uint64_t* seed) const { // Get bin # assuming equal weights, IMP weigh by activity - int64_t tet_xi = round(n_bins()*prn(seed)); + // This may underweight first and last bin by 1/2 TODO + int64_t tet_xi = trunc(n_bins()*prn(seed)); const auto& elem = get_element_from_bin(tet_xi); diff --git a/src/source.cpp b/src/source.cpp index 3a80e1156..58aac711f 100644 --- a/src/source.cpp +++ b/src/source.cpp @@ -94,6 +94,8 @@ IndependentSource::IndependentSource(pugi::xml_node node) space_ = UPtrSpace {new CylindricalIndependent(node_space)}; } else if (type == "spherical") { space_ = UPtrSpace {new SphericalIndependent(node_space)}; + } else if (type =="mesh"){ + space_ = UPtrSpace {new MeshIndependent(node_space)}; } else if (type == "box") { space_ = UPtrSpace {new SpatialBox(node_space)}; } else if (type == "fission") { From 9f6d536959e3bdfb2d47809410d40c317e253682 Mon Sep 17 00:00:00 2001 From: NybergWISC Date: Wed, 6 Jul 2022 08:59:12 -0500 Subject: [PATCH 03/51] Commit including most of the sampling work in distribution_spatial.cpp and testing --- include/openmc/distribution_spatial.h | 8 +- include/openmc/mesh.h | 8 +- openmc/settings.py | 10 + openmc/source.py | 1 + openmc/stats/multivariate.py | 118 ++ src/distribution_spatial.cpp | 70 +- src/initialize.cpp | 1 - src/mesh.cpp | 18 +- src/settings.cpp | 10 +- src/source.cpp | 4 - .../source_sampling/__init__.py | 0 .../source_sampling/inputs_true0.dat | 1066 ++++++++++++++++ .../source_sampling/inputs_true1.dat | 1068 +++++++++++++++++ .../source_sampling/inputs_true2.dat | 1066 ++++++++++++++++ .../source_sampling/inputs_true3.dat | 1068 +++++++++++++++++ .../unstructured_mesh/source_sampling/test.py | 190 +++ .../source_sampling/test_mesh_tets.e | 1 + .../source_sampling/test_mesh_tets.exo | 1 + 18 files changed, 4669 insertions(+), 39 deletions(-) create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/__init__.py create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/test.py create mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e create mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 8a77a4bd3..1d6d6413b 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -110,7 +110,13 @@ public: private: UnstructuredMesh* umesh_ptr_; - Position sampled_; + int32_t mesh_map_idx_; + std::string sample_scheme_; + double total_weight_; + std::vector mesh_CDF_; + std::vector mesh_weights_; + int64_t tot_bins_; + }; //============================================================================== diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 6bf49b221..402b22455 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -79,7 +79,7 @@ public: // //! \param[in] seed Seed to use for random sampling //! \param[out] r Position within tet - virtual Position sample(uint64_t* seed) const=0; + virtual Position sample(uint64_t* seed, int32_t tet_bin) const=0; //! Determine which bins were crossed by a particle // @@ -166,7 +166,7 @@ public: } }; - Position sample(uint64_t* seed) const override; + Position sample(uint64_t* seed, int32_t tet_bin) const override; int get_bin(Position r) const override; @@ -565,7 +565,7 @@ public: // Overridden Methods - Position sample(uint64_t* seed) const override; + Position sample(uint64_t* seed, int32_t tet_bin) const override; void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; @@ -729,7 +729,7 @@ public: void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; - Position sample(uint64_t* seed) const override; + Position sample(uint64_t* seed, int32_t tet_bin) const override; int get_bin(Position r) const override; diff --git a/openmc/settings.py b/openmc/settings.py index 6f3ef5ab4..ecbe2d7ca 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -11,10 +11,12 @@ from typing import Optional from xml.etree import ElementTree as ET import openmc.checkvalue as cv +from openmc.stats.multivariate import MeshIndependent from . import RegularMesh, Source, VolumeCalculation, WeightWindows from ._xml import clean_indentation, get_text, reorder_attributes from openmc.checkvalue import PathLike +from .mesh import MeshBase class RunMode(Enum): @@ -975,6 +977,8 @@ class Settings: def _create_source_subelement(self, root): for source in self.source: root.append(source.to_xml_element()) + if isinstance(source.space, MeshIndependent): + root.append(source.space.mesh.to_xml_element()) def _create_volume_calcs_subelement(self, root): for calc in self.volume_calculations: @@ -1323,6 +1327,12 @@ class Settings: def _source_from_xml_element(self, root): for elem in root.findall('source'): self.source.append(Source.from_xml_element(elem)) + if isinstance(Source.from_xml_element(elem), MeshIndependent): + mesh_id = int(get_text(elem, 'mesh')) + path = f"./mesh[@id='{mesh_id}']" + mesh_elem = root.find(path) + if mesh_elem is not None: + self.source.space.mesh = MeshBase.from_xml_element(mesh_elem) def _volume_calcs_from_xml_element(self, root): volume_elems = root.findall("volume_calc") diff --git a/openmc/source.py b/openmc/source.py index 9293a5953..32f8ea3d6 100644 --- a/openmc/source.py +++ b/openmc/source.py @@ -16,6 +16,7 @@ from openmc.checkvalue import PathLike from openmc.stats.multivariate import UnitSphere, Spatial from openmc.stats.univariate import Univariate from ._xml import get_text +from .mesh import MeshBase class Source: diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index 8bb319aa4..4484c62a6 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -3,12 +3,14 @@ from collections.abc import Iterable from math import pi, cos from numbers import Real from xml.etree import ElementTree as ET +from xmlrpc.client import boolean import numpy as np import openmc.checkvalue as cv from .._xml import get_text from .univariate import Univariate, Uniform, PowerLaw +from ..mesh import MeshBase class UnitSphere(ABC): @@ -269,6 +271,8 @@ class Spatial(ABC): return CylindricalIndependent.from_xml_element(elem) elif distribution == 'spherical': return SphericalIndependent.from_xml_element(elem) + elif distribution == 'mesh': + return MeshIndependent.from_xml_element(elem) elif distribution == 'box' or distribution == 'fission': return Box.from_xml_element(elem) elif distribution == 'point': @@ -616,6 +620,120 @@ class CylindricalIndependent(Spatial): origin = [float(x) for x in elem.get('origin').split()] return cls(r, phi, z, origin=origin) +class MeshIndependent(Spatial): + """Spatial distribution for a mesh. + + This distribution allows one to specify a mesh to sample over and the scheme to sample over the entire mesh. + + .. versionadded:: 0.13 + + Parameters + ---------- + elem_weight_scheme : str, optional + The scheme for weighting and sampling elements from the mesh. Options are 'file' and 'volume' based weights. + mesh : openmc.MeshBase + The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution + weights_from_file : Iterable of Real, optional + A list of values which represent the weights of each element + + + Attributes + ---------- + elem_weight_scheme : str, optional + Weighting scheme for sampling element from mesh, defaults to volume + mesh : openmc.MeshBase + The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution + weights_from_file : Iterable of Real, optional + A list of values which represent the weights of each element + + """ + + def __init__(self, mesh, weights_from_file=None, volume_weighting=False): + self.mesh = mesh + self.weights_from_file = weights_from_file + self.volume_weighting = volume_weighting + + @property + def mesh(self): + return self._mesh + + @mesh.setter + def mesh(self, mesh): + if mesh != None: + cv.check_type('Unstructured Mesh', mesh, MeshBase) + self._mesh = mesh + + @property + def volume_weighting(self): + return self._volume_weighting + + @volume_weighting.setter + def volume_weighting(self, volume_weighting): + cv.check_type('Scheme for sampling an element from the mesh', volume_weighting, bool) + self._volume_weighting = volume_weighting + + @property + def weights_from_file(self): + return self._weights_from_file + + @weights_from_file.setter + def weights_from_file(self, given_weights): + if given_weights is not None: + self._weights_from_file = (np.array(given_weights, dtype=float)).flatten() + else: + self._weights_from_file = None + + @property + def num_weight_bins(self): + if self.weights_from_file == None: + raise ValueError('Weight bins are not set') + return self.weights_from_file.size + + def to_xml_element(self): + """Return XML representation of the spatial distribution + + Returns + ------- + element : xml.etree.ElementTree.Element + XML element containing spatial distribution data + + """ + element = ET.Element('space') + element.set('type', 'mesh') + element.set("mesh_id", str(self.mesh.id)) + element.set("volume_weighting", str(self.volume_weighting)) + + if self.weights_from_file is not None: + subelement = ET.SubElement(element, 'weights_from_file') + subelement.text = ' '.join(str(e) for e in self.weights_from_file) + + return element + + @classmethod + def from_xml_element(cls, elem): + """Generate spatial distribution from an XML element + + Parameters + ---------- + elem : xml.etree.ElementTree.Element + XML element + + Returns + ------- + openmc.stats.MeshIndependent + Spatial distribution generated from XML element + + """ + + mesh_id = int(elem.get('mesh_id')) + volume_weighting = elem.get("volume_weighting") + volume_weighting = get_text(elem, 'volume_weighting').lower() == 'true' + if elem.get('weights_from_file') is not None: + weights_from_file = [float(b) for b in get_text(elem, 'weights_from_file').split()] + else: + weights_from_file = None + return cls(volume_weighting, mesh_id, weights_from_file) + class Box(Spatial): """Uniform distribution of coordinates in a rectangular cuboid. diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index f78c2c49b..fdac3433a 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -3,6 +3,11 @@ #include "openmc/error.h" #include "openmc/random_lcg.h" #include "openmc/xml_interface.h" +#include "openmc/mesh.h" +#include "openmc/search.h" + +#include +#include namespace openmc { @@ -184,24 +189,71 @@ Position SphericalIndependent::sample(uint64_t* seed) const // MeshIndependent implementation //============================================================================== -// Loosely adapted Patrick's code shown here MeshIndependent::MeshIndependent(pugi::xml_node node) { // No in-tet distributions implemented, could include distributions for the barycentric coords + // Read in unstructured mesh from mesh_id value + int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id")); + // Get pointer to spatial distribution + mesh_map_idx_ = model::mesh_map.at(mesh_id); + const auto& mesh_ptr = model::meshes[mesh_map_idx_]; - int32_t mesh_id = std::stoi(get_node_value(node, "mesh")); - const auto& mesh_ptr = model::meshes[mesh_id]; - - // line from Patrick code, unsure of use - // int bin = mesh_ptr->get_bin(); - const UnstructuredMesh* umesh_ptr_ = dynamic_cast(mesh_ptr.get()); + // Check whether mesh pointer points to an unstructured mesh + umesh_ptr_ = dynamic_cast(mesh_ptr.get()); if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); } + + // Create CDF based on weighting scheme + tot_bins_ = umesh_ptr_->n_bins(); + std::vector weights = {}; + weights.resize(tot_bins_); + double temp_total_weight = 0.0; + mesh_CDF_.resize(tot_bins_+1); + mesh_CDF_[0] = {0.0}; + total_weight_ = 0.0; + mesh_weights_.resize(tot_bins_); + + // Create cdfs for sampling for an element over a mesh + // Volume scheme is weighted by the volume of each tet + // File scheme is weighted by an array given in the xml file + + if (check_for_node(node, "weights_from_file")) { + mesh_weights_ = get_node_array(node, "weights_from_file"); + if (mesh_weights_.size() != tot_bins_){ + write_message("WARNING: The size of the weights array from the xml file does not equal the number of elements in the mesh."); + } if (get_node_value_bool(node, "volume_weighting")){ + for (int i = 0; i < tot_bins_; i++){ + weights[i] = mesh_weights_[i]*umesh_ptr_->volume(i); + } + } else if (!get_node_value_bool(node, "volume_weighting")){ + for (int i = 0; i < tot_bins_; i++){ + weights[i] = mesh_weights_[i]; + } + } + } else if (get_node_value_bool(node, "volume_weighting")){ + for (int i = 0; ivolume(i); + } + } else { + for (int i = 0; isample(seed); - return sampled_; + // Create random variable for sampling element from mesh + float eta = prn(seed); + // Sample over the CDF defined in initialization above + int32_t tet_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); + return umesh_ptr_->sample(seed, tet_bin); } diff --git a/src/initialize.cpp b/src/initialize.cpp index 0c137795b..913e0b1a9 100644 --- a/src/initialize.cpp +++ b/src/initialize.cpp @@ -405,7 +405,6 @@ void read_separate_xml_files() // Finalize cross sections having assigned temperatures finalize_cross_sections(); - read_tallies_xml(); // Initialize distribcell_filters diff --git a/src/mesh.cpp b/src/mesh.cpp index 56d793079..5225d3074 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -358,7 +358,7 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const return ijk; } -Position StructuredMesh::sample(uint64_t* seed) const { +Position StructuredMesh::sample(uint64_t* seed, int32_t tet_bin) const { fatal_error("Position sampling on structured meshes is not yet implemented"); } @@ -2085,10 +2085,7 @@ std::string MOABMesh::library() const } // Sample position within a tet for MOAB type tets -Position MOABMesh::sample(uint64_t* seed) const { - // Get bin # assuming equal weights, IMP weigh by activity - // This may underweigh first and last bins - int64_t tet_bin = trunc(n_bins()*prn(seed)); +Position MOABMesh::sample(uint64_t* seed, int32_t tet_bin) const { moab::EntityHandle tet_ent = get_ent_handle_from_bin(tet_bin); @@ -2568,18 +2565,13 @@ void LibMesh::initialize() } // Sample position within a tet for LibMesh type tets -Position LibMesh::sample(uint64_t* seed) const { - // Get bin # assuming equal weights, IMP weigh by activity - // This may underweight first and last bin by 1/2 TODO - int64_t tet_xi = trunc(n_bins()*prn(seed)); - - const auto& elem = get_element_from_bin(tet_xi); - +Position LibMesh::sample(uint64_t* seed, int32_t tet_bin) const { + const auto& elem = get_element_from_bin(tet_bin); // Get tet vertex coordinates from LibMesh std::array tet_verts; for (int i = 0; i < elem.n_nodes(); i++) { auto node_ref = elem.node_ref(i); - tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)}; + tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)}; } // Samples position within tet using Barycentric coordinates Position r = this->sample_tet(tet_verts, seed); diff --git a/src/settings.cpp b/src/settings.cpp index 6386ce52b..c3ecd46b4 100644 --- a/src/settings.cpp +++ b/src/settings.cpp @@ -279,6 +279,9 @@ void read_settings_xml(pugi::xml_node root) } } + // Check for user meshes and allocate + read_meshes(root); + // Look for deprecated cross_sections.xml file in settings.xml if (check_for_node(root, "cross_sections")) { warning( @@ -368,7 +371,6 @@ void read_settings_xml(pugi::xml_node root) } } } - if (run_mode == RunMode::EIGENVALUE || run_mode == RunMode::FIXED_SOURCE) { // Read run parameters get_run_parameters(node_mode); @@ -432,7 +434,6 @@ void read_settings_xml(pugi::xml_node root) "the OMP_NUM_THREADS environment variable to set the number of " "threads."); } - // ========================================================================== // EXTERNAL SOURCE @@ -461,7 +462,6 @@ void read_settings_xml(pugi::xml_node root) model::external_sources.push_back(make_unique(node)); } } - // Check if the user has specified to read surface source if (check_for_node(root, "surf_source_read")) { surf_source_read = true; @@ -532,7 +532,6 @@ void read_settings_xml(pugi::xml_node root) std::stod(get_node_value(node_cutoff, "energy_positron")); } } - // Particle trace if (check_for_node(root, "trace")) { auto temp = get_node_array(root, "trace"); @@ -564,9 +563,6 @@ void read_settings_xml(pugi::xml_node root) } } - // Read meshes - read_meshes(root); - // Shannon Entropy mesh if (check_for_node(root, "entropy_mesh")) { int temp = std::stoi(get_node_value(root, "entropy_mesh")); diff --git a/src/source.cpp b/src/source.cpp index 58aac711f..2ceff9964 100644 --- a/src/source.cpp +++ b/src/source.cpp @@ -111,7 +111,6 @@ IndependentSource::IndependentSource(pugi::xml_node node) // If no spatial distribution specified, make it a point source space_ = UPtrSpace {new SpatialPoint()}; } - // Determine external source angular distribution if (check_for_node(node, "angle")) { // Get pointer to angular distribution @@ -131,11 +130,9 @@ IndependentSource::IndependentSource(pugi::xml_node node) fatal_error(fmt::format( "Invalid angular distribution for external source: {}", type)); } - } else { angle_ = UPtrAngle {new Isotropic()}; } - // Determine external source energy distribution if (check_for_node(node, "energy")) { pugi::xml_node node_dist = node.child("energy"); @@ -144,7 +141,6 @@ IndependentSource::IndependentSource(pugi::xml_node node) // Default to a Watt spectrum with parameters 0.988 MeV and 2.249 MeV^-1 energy_ = UPtrDist {new Watt(0.988e6, 2.249e-6)}; } - // Determine external source time distribution if (check_for_node(node, "time")) { pugi::xml_node node_dist = node.child("time"); diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py b/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat new file mode 100644 index 000000000..ee30a9dbe --- /dev/null +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat @@ -0,0 +1,1066 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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subprocess import call + +TETS_PER_VOXEL = 12 + +class UnstructuredMeshSourceTest(PyAPITestHarness): + def __init__(self, statepoint_name, model, inputs_true, schemes): + + super().__init__(statepoint_name, model, inputs_true) + self.schemes = schemes + + def _run_openmc(self): + kwargs = {'openmc_exec' : config['exe'], + 'event_based' : config['event'], + 'tracks' : "True"} + + if config['mpi']: + kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']] + + openmc.run(**kwargs) + + def _compare_results(self): + + average_in_hex = 10.0 + + + call(['../../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] + + glob.glob('tracks_p*.h5')) + + # loop over the tracks and get data + tracks = openmc.Tracks(filepath='tracks.h5') + tracks_born = np.empty((len(tracks), 1)) + decimals = 0 + + instances = np.zeros(1000) + + for i in range(0, len(tracks)): + tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0] + instances[int(tracks_born[i])-1] = instances[int(tracks_born[i])-1]+1 + + if self.schemes == "file": + assert(instances[0] > 0 and instances[1] > 0) + assert(instances[0] > instances[1]) + + for i in range(0, len(instances)): + if i != 0 and i != 1: + assert(instances[i] == 0) + + else: + assert(np.average(instances) == average_in_hex) + assert(np.std(instances) < np.average(instances)) + assert(np.amax(instances) < np.average(instances)+6*np.std(instances)) + + + def _cleanup(self): + super()._cleanup() + output = glob.glob('tally*.vtk') + output += glob.glob('tally*.e') + for f in output: + if os.path.exists(f): + os.remove(f) + + + + +param_values = (['libmesh', 'moab'], # mesh libraries + ['volume', 'file']) # Element weighting schemes + +test_cases = [] +# for i, (lib, holes) in enumerate(product(*param_values)): +for i, (lib, schemes) in enumerate(product(*param_values)): + test_cases.append({'library' : lib, + 'schemes' : schemes, + 'inputs_true' : 'inputs_true{}.dat'.format(i)}) + + +@pytest.mark.parametrize("test_opts", test_cases) +def test_unstructured_mesh(test_opts): + + openmc.reset_auto_ids() + + # skip the test if the library is not enabled + if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled(): + pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") + + if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): + pytest.skip("LibMesh is not enabled in this build.") + + ### Materials ### + materials = openmc.Materials() + + water_mat = openmc.Material(material_id=3, name="water") + water_mat.add_nuclide("H1", 2.0) + water_mat.add_nuclide("O16", 1.0) + water_mat.set_density("atom/b-cm", 0.07416) + materials.append(water_mat) + + materials.export_to_xml() + + ### Geometry ### + dimen = 10 + size_hex = 20.0/dimen + + ### Geometry ### + cell = np.empty((dimen, dimen, dimen), dtype=object) + surfaces = np.empty((dimen+1, 3), dtype=object) + + geometry = openmc.Geometry() + universe = openmc.Universe(universe_id=1, name="Contains all hexes") + + for i in range(0,dimen+1): + surfaces[i][0] = openmc.XPlane(-10.0+i*size_hex, name="X plane at "+str(-10.0+i*size_hex)) + surfaces[i][1] = openmc.YPlane(-10.0+i*size_hex, name="Y plane at "+str(-10.0+i*size_hex)) + surfaces[i][2] = openmc.ZPlane(-10.0+i*size_hex, name="Z plane at "+str(-10.0+i*size_hex)) + + surfaces[i][0].boundary_type = 'vacuum' + surfaces[i][1].boundary_type = 'vacuum' + surfaces[i][2].boundary_type = 'vacuum' + + for k in range(0,dimen): + for j in range(0,dimen): + for i in range(0,dimen): + cell[i][j][k] = openmc.Cell(name=("x " + str(i) +" y " + str(j) +" z " + str(k))) + cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ + +surfaces[j][1] & -surfaces[j+1][1] & \ + +surfaces[k][2] & -surfaces[k+1][2] + cell[i][j][k].fill = water_mat + universe.add_cell(cell[i][j][k]) + + geometry = openmc.Geometry(universe) + + mesh_filename = "test_mesh_tets.e" + + uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_opts['library']) + + ### Tallies ### + + # create tallies + tallies = openmc.Tallies() + + tally1 = openmc.Tally(1) + tally1.scores = ['scatter', 'total', 'absorption'] + # Export tallies + tallies = openmc.Tallies([tally1]) + tallies.export_to_xml() + + ### Settings ### + settings = openmc.Settings() + settings.run_mode = 'fixed source' + settings.particles = 5000 + settings.batches = 2 + + # settings.create_fission_neutrons = False + settings.tracks = [(1, 1, 1)] + settings.max_tracks = 10000 + + # source setup + if test_opts['schemes'] == 'volume': + space = openmc.stats.MeshIndependent(volume_weighting=True, mesh=uscd_mesh) + elif test_opts['schemes'] == 'file': + array = np.zeros(12000) + for i in range(0, 12): + array[i] = 10 + array[i+12] = 2 + space = openmc.stats.MeshIndependent(volume_weighting=False, weights_from_file=array, mesh=uscd_mesh) + + energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) + source = openmc.Source(space=space, energy=energy) + settings.source = source + + model = openmc.model.Model(geometry=geometry, + materials=materials, + tallies=tallies, + settings=settings) + + harness = UnstructuredMeshSourceTest('statepoint.2.h5', + model, + test_opts['inputs_true'], + test_opts['schemes']) + harness.main() diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e new file mode 120000 index 000000000..0aa0d1a23 --- /dev/null +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e @@ -0,0 +1 @@ +../test_mesh_tets.e \ No newline at end of file diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo new file mode 120000 index 000000000..6d40011d4 --- /dev/null +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo @@ -0,0 +1 @@ +../test_mesh_tets.exo \ No newline at end of file From 7a3a1876e1a0dc063e43fd1b03ef7d0da1633ff0 Mon Sep 17 00:00:00 2001 From: Matthew Nyberg Date: Mon, 8 Aug 2022 08:35:13 -0500 Subject: [PATCH 04/51] Reorganize imports in source_sampling/test.py Co-authored-by: Patrick Shriwise --- .../unstructured_mesh/source_sampling/test.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 3149e80aa..f6262971a 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -2,11 +2,12 @@ import glob from itertools import product import os -import openmc -import openmc.lib +import pytest import numpy as np -import pytest +import openmc +import openmc.lib + from tests.testing_harness import PyAPITestHarness from tests.regression_tests import config from subprocess import call From 7c40badfbc62bed28d0771fdc656f4baff41e25b Mon Sep 17 00:00:00 2001 From: NybergWISC Date: Mon, 8 Aug 2022 11:21:09 -0500 Subject: [PATCH 05/51] Address comments on initial PR, all changed other than name of class and the use of python API to combine track outputs --- include/openmc/distribution_spatial.h | 5 +- include/openmc/mesh.h | 6 +- openmc/settings.py | 4 +- openmc/stats/multivariate.py | 72 +- src/distribution_spatial.cpp | 43 +- src/mesh.cpp | 12 +- .../source_sampling/inputs_true0.dat | 2002 ++++++++-------- .../source_sampling/inputs_true1.dat | 2004 ++++++++--------- .../source_sampling/inputs_true2.dat | 2002 ++++++++-------- .../source_sampling/inputs_true3.dat | 2004 ++++++++--------- .../unstructured_mesh/source_sampling/test.py | 53 +- 11 files changed, 4096 insertions(+), 4111 deletions(-) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 1d6d6413b..8864e1139 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -112,11 +112,10 @@ private: UnstructuredMesh* umesh_ptr_; int32_t mesh_map_idx_; std::string sample_scheme_; - double total_weight_; + double total_strength_; std::vector mesh_CDF_; - std::vector mesh_weights_; + std::vector mesh_strengths_; int64_t tot_bins_; - }; //============================================================================== diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 402b22455..a4104f75a 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -468,9 +468,6 @@ public: static const std::string mesh_type; virtual std::string get_mesh_type() const override; - //! Sample a tetrahedron for an unstructured mesh - virtual Position sample_tet(std::array coords, uint64_t* seed) const; - // Overridden Methods // TODO Position sample(uint64_t* seed) const=0; @@ -545,6 +542,9 @@ protected: 1.0}; //!< Constant multiplication factor to apply to mesh coordinates bool specified_length_multiplier_ {false}; + //! Sample a tetrahedron for an unstructured mesh + Position sample_tet(std::array coords, uint64_t* seed) const; + private: //! Setup method for the mesh. Builds data structures, //! sets up element mapping, creates bounding boxes, etc. diff --git a/openmc/settings.py b/openmc/settings.py index ecbe2d7ca..045cccd5c 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -978,7 +978,9 @@ class Settings: for source in self.source: root.append(source.to_xml_element()) if isinstance(source.space, MeshIndependent): - root.append(source.space.mesh.to_xml_element()) + path = f"./mesh[@id='{source.space.mesh.id}']" + if root.find(path) is None: + root.append(source.space.mesh.to_xml_element()) def _create_volume_calcs_subelement(self, root): for calc in self.volume_calculations: diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index 4484c62a6..0df540ddd 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -3,7 +3,6 @@ from collections.abc import Iterable from math import pi, cos from numbers import Real from xml.etree import ElementTree as ET -from xmlrpc.client import boolean import numpy as np @@ -629,29 +628,25 @@ class MeshIndependent(Spatial): Parameters ---------- - elem_weight_scheme : str, optional - The scheme for weighting and sampling elements from the mesh. Options are 'file' and 'volume' based weights. mesh : openmc.MeshBase The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution - weights_from_file : Iterable of Real, optional + strengths : Iterable of Real, optional A list of values which represent the weights of each element Attributes ---------- - elem_weight_scheme : str, optional - Weighting scheme for sampling element from mesh, defaults to volume mesh : openmc.MeshBase The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution - weights_from_file : Iterable of Real, optional + strengths : Iterable of Real, optional A list of values which represent the weights of each element """ - def __init__(self, mesh, weights_from_file=None, volume_weighting=False): + def __init__(self, mesh, strengths=None, volume_normalized=False): self.mesh = mesh - self.weights_from_file = weights_from_file - self.volume_weighting = volume_weighting + self.strengths = strengths + self.volume_normalized = volume_normalized @property def mesh(self): @@ -660,34 +655,35 @@ class MeshIndependent(Spatial): @mesh.setter def mesh(self, mesh): if mesh != None: - cv.check_type('Unstructured Mesh', mesh, MeshBase) + cv.check_type('Unstructured Mesh instance', mesh, MeshBase) self._mesh = mesh @property - def volume_weighting(self): - return self._volume_weighting + def volume_normalized(self): + return self._volume_normalized - @volume_weighting.setter - def volume_weighting(self, volume_weighting): - cv.check_type('Scheme for sampling an element from the mesh', volume_weighting, bool) - self._volume_weighting = volume_weighting + @volume_normalized.setter + def volume_normalized(self, volume_normalized): + cv.check_type('Normalize (multiply) strengths by volume', volume_normalized, bool) + self._volume_normalized = volume_normalized @property - def weights_from_file(self): - return self._weights_from_file + def strengths(self): + return self._strengths - @weights_from_file.setter - def weights_from_file(self, given_weights): - if given_weights is not None: - self._weights_from_file = (np.array(given_weights, dtype=float)).flatten() + @strengths.setter + def strengths(self, given_strengths): + if given_strengths is not None: + cv.check_type('strengths array passed in', given_strengths, Iterable, Real) + self._strengths = np.array(given_strengths, dtype=float).flatten() else: - self._weights_from_file = None + self._strengths = None @property - def num_weight_bins(self): - if self.weights_from_file == None: - raise ValueError('Weight bins are not set') - return self.weights_from_file.size + def num_strength_bins(self): + if self.strengths == None: + raise ValueError('Strengths are not set') + return self.strengths.size def to_xml_element(self): """Return XML representation of the spatial distribution @@ -701,11 +697,11 @@ class MeshIndependent(Spatial): element = ET.Element('space') element.set('type', 'mesh') element.set("mesh_id", str(self.mesh.id)) - element.set("volume_weighting", str(self.volume_weighting)) + element.set("volume_normalized", str(self.volume_normalized)) - if self.weights_from_file is not None: - subelement = ET.SubElement(element, 'weights_from_file') - subelement.text = ' '.join(str(e) for e in self.weights_from_file) + if self.strengths is not None: + subelement = ET.SubElement(element, 'strengths') + subelement.text = ' '.join(str(e) for e in self.strengths) return element @@ -726,13 +722,13 @@ class MeshIndependent(Spatial): """ mesh_id = int(elem.get('mesh_id')) - volume_weighting = elem.get("volume_weighting") - volume_weighting = get_text(elem, 'volume_weighting').lower() == 'true' - if elem.get('weights_from_file') is not None: - weights_from_file = [float(b) for b in get_text(elem, 'weights_from_file').split()] + volume_normalized = elem.get("volume_normalized") + volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true' + if elem.get('strengths') is not None: + strengths = [float(b) for b in get_text(elem, 'strengths').split()] else: - weights_from_file = None - return cls(volume_weighting, mesh_id, weights_from_file) + strengths = None + return cls(volume_normalized, mesh_id, strengths) class Box(Spatial): diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index fdac3433a..0ac24e39a 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -6,9 +6,6 @@ #include "openmc/mesh.h" #include "openmc/search.h" -#include -#include - namespace openmc { //============================================================================== @@ -202,48 +199,48 @@ MeshIndependent::MeshIndependent(pugi::xml_node node) umesh_ptr_ = dynamic_cast(mesh_ptr.get()); if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); } - // Create CDF based on weighting scheme + // Initialize arrays for CDF creation tot_bins_ = umesh_ptr_->n_bins(); - std::vector weights = {}; - weights.resize(tot_bins_); - double temp_total_weight = 0.0; + std::vector strengths = {}; + strengths.resize(tot_bins_); + double temp_total_strength = 0.0; mesh_CDF_.resize(tot_bins_+1); mesh_CDF_[0] = {0.0}; - total_weight_ = 0.0; - mesh_weights_.resize(tot_bins_); + total_strength_ = 0.0; + mesh_strengths_.resize(tot_bins_); // Create cdfs for sampling for an element over a mesh // Volume scheme is weighted by the volume of each tet // File scheme is weighted by an array given in the xml file - if (check_for_node(node, "weights_from_file")) { - mesh_weights_ = get_node_array(node, "weights_from_file"); - if (mesh_weights_.size() != tot_bins_){ - write_message("WARNING: The size of the weights array from the xml file does not equal the number of elements in the mesh."); - } if (get_node_value_bool(node, "volume_weighting")){ + if (check_for_node(node, "strengths")) { + mesh_strengths_ = get_node_array(node, "strengths"); + if (mesh_strengths_.size() != tot_bins_){ + fatal_error("The size of the strengths array from the xml file does not equal the number of elements in the mesh."); + } if (get_node_value_bool(node, "volume_normalized")){ for (int i = 0; i < tot_bins_; i++){ - weights[i] = mesh_weights_[i]*umesh_ptr_->volume(i); + strengths[i] = mesh_strengths_[i]*umesh_ptr_->volume(i); } - } else if (!get_node_value_bool(node, "volume_weighting")){ + } else if (!get_node_value_bool(node, "volume_normalized")){ for (int i = 0; i < tot_bins_; i++){ - weights[i] = mesh_weights_[i]; + strengths[i] = mesh_strengths_[i]; } } - } else if (get_node_value_bool(node, "volume_weighting")){ + } else if (get_node_value_bool(node, "volume_normalized")){ for (int i = 0; ivolume(i); + strengths[i] = umesh_ptr_->volume(i); } } else { for (int i = 0; i conn1; @@ -2103,7 +2103,7 @@ Position MOABMesh::sample(uint64_t* seed, int32_t tet_bin) const { std::array tet_verts; for (int i = 0; i < 4; i++) { - tet_verts[i] = {p[i][0], p[i][1], p[i][2]}; + tet_verts[i] = {p[i][0], p[i][1], p[i][2]}; } // Samples position within tet using Barycentric stuff Position r = this->sample_tet(tet_verts, seed); @@ -2565,8 +2565,8 @@ void LibMesh::initialize() } // Sample position within a tet for LibMesh type tets -Position LibMesh::sample(uint64_t* seed, int32_t tet_bin) const { - const auto& elem = get_element_from_bin(tet_bin); +Position LibMesh::sample(uint64_t* seed, int32_t bin) const { + const auto& elem = get_element_from_bin(bin); // Get tet vertex coordinates from LibMesh std::array tet_verts; for (int i = 0; i < elem.n_nodes(); i++) { diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat index ee30a9dbe..c85bdd920 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat @@ -1,1005 +1,1005 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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-1048,7 +1048,7 @@ 5000 2 - + 15000000.0 1.0 diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat index fca2bb796..dca3958c3 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat @@ -1,1005 +1,1005 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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@@ -31,60 +30,53 @@ class UnstructuredMeshSourceTest(PyAPITestHarness): openmc.run(**kwargs) def _compare_results(self): - + # There are 10000 particles and 1000 hexes, this leads to the average + # shown below average_in_hex = 10.0 - call(['../../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] + glob.glob('tracks_p*.h5')) # loop over the tracks and get data tracks = openmc.Tracks(filepath='tracks.h5') tracks_born = np.empty((len(tracks), 1)) - decimals = 0 instances = np.zeros(1000) for i in range(0, len(tracks)): tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0] - instances[int(tracks_born[i])-1] = instances[int(tracks_born[i])-1]+1 + instances[int(tracks_born[i])-1] += 1 if self.schemes == "file": assert(instances[0] > 0 and instances[1] > 0) assert(instances[0] > instances[1]) - - for i in range(0, len(instances)): - if i != 0 and i != 1: - assert(instances[i] == 0) + + for i in range(2, len(instances)): + assert(instances[i] == 0) else: assert(np.average(instances) == average_in_hex) - assert(np.std(instances) < np.average(instances)) + assert(np.std(instances) < np.average(instances)) assert(np.amax(instances) < np.average(instances)+6*np.std(instances)) - + def _cleanup(self): super()._cleanup() - output = glob.glob('tally*.vtk') + output = glob.glob('track*.h5') output += glob.glob('tally*.e') for f in output: if os.path.exists(f): os.remove(f) - - - param_values = (['libmesh', 'moab'], # mesh libraries ['volume', 'file']) # Element weighting schemes test_cases = [] -# for i, (lib, holes) in enumerate(product(*param_values)): for i, (lib, schemes) in enumerate(product(*param_values)): test_cases.append({'library' : lib, 'schemes' : schemes, 'inputs_true' : 'inputs_true{}.dat'.format(i)}) - @pytest.mark.parametrize("test_opts", test_cases) def test_unstructured_mesh(test_opts): @@ -110,19 +102,20 @@ def test_unstructured_mesh(test_opts): ### Geometry ### dimen = 10 - size_hex = 20.0/dimen + size_hex = 20.0 / dimen ### Geometry ### cell = np.empty((dimen, dimen, dimen), dtype=object) - surfaces = np.empty((dimen+1, 3), dtype=object) + surfaces = np.empty((dimen + 1, 3), dtype=object) geometry = openmc.Geometry() universe = openmc.Universe(universe_id=1, name="Contains all hexes") for i in range(0,dimen+1): - surfaces[i][0] = openmc.XPlane(-10.0+i*size_hex, name="X plane at "+str(-10.0+i*size_hex)) - surfaces[i][1] = openmc.YPlane(-10.0+i*size_hex, name="Y plane at "+str(-10.0+i*size_hex)) - surfaces[i][2] = openmc.ZPlane(-10.0+i*size_hex, name="Z plane at "+str(-10.0+i*size_hex)) + coord = -10.0 + i * size_hex + surfaces[i][0] = openmc.XPlane(coord, name="X plane at "+str(coord)) + surfaces[i][1] = openmc.YPlane(coord, name="Y plane at "+str(coord)) + surfaces[i][2] = openmc.ZPlane(coord, name="Z plane at "+str(coord)) surfaces[i][0].boundary_type = 'vacuum' surfaces[i][1].boundary_type = 'vacuum' @@ -131,11 +124,11 @@ def test_unstructured_mesh(test_opts): for k in range(0,dimen): for j in range(0,dimen): for i in range(0,dimen): - cell[i][j][k] = openmc.Cell(name=("x " + str(i) +" y " + str(j) +" z " + str(k))) + cell[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k))) cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ +surfaces[j][1] & -surfaces[j+1][1] & \ +surfaces[k][2] & -surfaces[k+1][2] - cell[i][j][k].fill = water_mat + cell[i][j][k].fill = None universe.add_cell(cell[i][j][k]) geometry = openmc.Geometry(universe) @@ -161,19 +154,17 @@ def test_unstructured_mesh(test_opts): settings.particles = 5000 settings.batches = 2 - # settings.create_fission_neutrons = False - settings.tracks = [(1, 1, 1)] settings.max_tracks = 10000 # source setup if test_opts['schemes'] == 'volume': - space = openmc.stats.MeshIndependent(volume_weighting=True, mesh=uscd_mesh) + space = openmc.stats.MeshIndependent(volume_normalized=True, mesh=uscd_mesh) elif test_opts['schemes'] == 'file': array = np.zeros(12000) for i in range(0, 12): array[i] = 10 array[i+12] = 2 - space = openmc.stats.MeshIndependent(volume_weighting=False, weights_from_file=array, mesh=uscd_mesh) + space = openmc.stats.MeshIndependent(volume_normalized=False, strengths=array, mesh=uscd_mesh) energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) source = openmc.Source(space=space, energy=energy) @@ -185,7 +176,7 @@ def test_unstructured_mesh(test_opts): settings=settings) harness = UnstructuredMeshSourceTest('statepoint.2.h5', - model, - test_opts['inputs_true'], - test_opts['schemes']) + model, + test_opts['inputs_true'], + test_opts['schemes']) harness.main() From bd60956d20c9e538179597d0c6e8029cbea2963c Mon Sep 17 00:00:00 2001 From: NybergWISC Date: Wed, 10 Aug 2022 14:42:57 -0500 Subject: [PATCH 06/51] Second round of comments. volume method is now implemented from Mesh instead of UnstructuredMesh --- include/openmc/distribution_spatial.h | 10 ++++---- include/openmc/mesh.h | 19 +++++++++++---- openmc/settings.py | 13 +++++++---- openmc/stats/multivariate.py | 8 +++---- src/distribution_spatial.cpp | 23 +++++++++---------- src/mesh.cpp | 8 ++++++- src/source.cpp | 2 +- .../unstructured_mesh/source_sampling/test.py | 21 ++++++++--------- 8 files changed, 60 insertions(+), 44 deletions(-) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 8864e1139..6d771fd6b 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -99,9 +99,9 @@ private: //! Distribution of points within a mesh //============================================================================== -class MeshIndependent : public SpatialDistribution { +class MeshSpatial : public SpatialDistribution { public: - explicit MeshIndependent(pugi::xml_node node); + explicit MeshSpatial(pugi::xml_node node); //! Sample a position from the distribution //! \param seed Pseudorandom number seed pointer @@ -109,13 +109,13 @@ public: Position sample(uint64_t* seed) const; private: - UnstructuredMesh* umesh_ptr_; - int32_t mesh_map_idx_; + Mesh* mesh_ptr_; + int32_t mesh_idx_; std::string sample_scheme_; double total_strength_; std::vector mesh_CDF_; std::vector mesh_strengths_; - int64_t tot_bins_; + int32_t tot_bins_; }; //============================================================================== diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index a4104f75a..8015d2e4c 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -79,7 +79,13 @@ public: // //! \param[in] seed Seed to use for random sampling //! \param[out] r Position within tet - virtual Position sample(uint64_t* seed, int32_t tet_bin) const=0; + virtual Position sample(uint64_t* seed, int32_t bin) const=0; + + //! Get the volume of a mesh bin + // + //! \param[in] bin Bin to return the volume for + //! \return Volume of the bin + virtual double volume(int bin) const = 0; //! Determine which bins were crossed by a particle // @@ -166,7 +172,9 @@ public: } }; - Position sample(uint64_t* seed, int32_t tet_bin) const override; + Position sample(uint64_t* seed, int32_t bin) const override; + + double volume(int bin) const override; int get_bin(Position r) const override; @@ -469,13 +477,14 @@ public: virtual std::string get_mesh_type() const override; // Overridden Methods - // TODO Position sample(uint64_t* seed) const=0; void surface_bins_crossed(Position r0, Position r1, const Direction& u, vector& bins) const override; void to_hdf5(hid_t group) const override; + virtual double volume(int bin) const = 0; + std::string bin_label(int bin) const override; // Methods @@ -565,7 +574,7 @@ public: // Overridden Methods - Position sample(uint64_t* seed, int32_t tet_bin) const override; + Position sample(uint64_t* seed, int32_t bin) const override; void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; @@ -729,7 +738,7 @@ public: void bins_crossed(Position r0, Position r1, const Direction& u, vector& bins, vector& lengths) const override; - Position sample(uint64_t* seed, int32_t tet_bin) const override; + Position sample(uint64_t* seed, int32_t bin) const override; int get_bin(Position r) const override; diff --git a/openmc/settings.py b/openmc/settings.py index 045cccd5c..b8b1ec2b4 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -11,7 +11,7 @@ from typing import Optional from xml.etree import ElementTree as ET import openmc.checkvalue as cv -from openmc.stats.multivariate import MeshIndependent +from openmc.stats.multivariate import MeshSpatial from . import RegularMesh, Source, VolumeCalculation, WeightWindows from ._xml import clean_indentation, get_text, reorder_attributes @@ -977,7 +977,7 @@ class Settings: def _create_source_subelement(self, root): for source in self.source: root.append(source.to_xml_element()) - if isinstance(source.space, MeshIndependent): + if isinstance(source.space, MeshSpatial): path = f"./mesh[@id='{source.space.mesh.id}']" if root.find(path) is None: root.append(source.space.mesh.to_xml_element()) @@ -1328,13 +1328,16 @@ class Settings: def _source_from_xml_element(self, root): for elem in root.findall('source'): - self.source.append(Source.from_xml_element(elem)) - if isinstance(Source.from_xml_element(elem), MeshIndependent): + src = Source.from_xml_element(elem) + if isinstance(src.space, MeshSpatial): mesh_id = int(get_text(elem, 'mesh')) path = f"./mesh[@id='{mesh_id}']" mesh_elem = root.find(path) if mesh_elem is not None: - self.source.space.mesh = MeshBase.from_xml_element(mesh_elem) + src.space.mesh = MeshBase.from_xml_element(mesh_elem) + else: + raise RuntimeError('No mesh was specified for the mesh source') + self.source.append(src) def _volume_calcs_from_xml_element(self, root): volume_elems = root.findall("volume_calc") diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index 0df540ddd..9aa03b2d7 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -271,7 +271,7 @@ class Spatial(ABC): elif distribution == 'spherical': return SphericalIndependent.from_xml_element(elem) elif distribution == 'mesh': - return MeshIndependent.from_xml_element(elem) + return MeshSpatial.from_xml_element(elem) elif distribution == 'box' or distribution == 'fission': return Box.from_xml_element(elem) elif distribution == 'point': @@ -619,10 +619,10 @@ class CylindricalIndependent(Spatial): origin = [float(x) for x in elem.get('origin').split()] return cls(r, phi, z, origin=origin) -class MeshIndependent(Spatial): +class MeshSpatial(Spatial): """Spatial distribution for a mesh. - This distribution allows one to specify a mesh to sample over and the scheme to sample over the entire mesh. + This distribution specifies a mesh to sample over, chooses whether it will be volume normalized, and can set the source strengths. .. versionadded:: 0.13 @@ -716,7 +716,7 @@ class MeshIndependent(Spatial): Returns ------- - openmc.stats.MeshIndependent + openmc.stats.MeshSpatial Spatial distribution generated from XML element """ diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index 0ac24e39a..6d00739b0 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -183,24 +183,23 @@ Position SphericalIndependent::sample(uint64_t* seed) const } //============================================================================== -// MeshIndependent implementation +// MeshSpatial implementation //============================================================================== -MeshIndependent::MeshIndependent(pugi::xml_node node) +MeshSpatial::MeshSpatial(pugi::xml_node node) { // No in-tet distributions implemented, could include distributions for the barycentric coords // Read in unstructured mesh from mesh_id value int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id")); // Get pointer to spatial distribution - mesh_map_idx_ = model::mesh_map.at(mesh_id); - const auto& mesh_ptr = model::meshes[mesh_map_idx_]; + mesh_idx_ = model::mesh_map.at(mesh_id); - // Check whether mesh pointer points to an unstructured mesh - umesh_ptr_ = dynamic_cast(mesh_ptr.get()); - if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); } + // Check whether mesh pointer points to a mesh + mesh_ptr_ = dynamic_cast(model::meshes[mesh_idx_].get()); + if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); } // Initialize arrays for CDF creation - tot_bins_ = umesh_ptr_->n_bins(); + tot_bins_ = mesh_ptr_->n_bins(); std::vector strengths = {}; strengths.resize(tot_bins_); double temp_total_strength = 0.0; @@ -219,7 +218,7 @@ MeshIndependent::MeshIndependent(pugi::xml_node node) fatal_error("The size of the strengths array from the xml file does not equal the number of elements in the mesh."); } if (get_node_value_bool(node, "volume_normalized")){ for (int i = 0; i < tot_bins_; i++){ - strengths[i] = mesh_strengths_[i]*umesh_ptr_->volume(i); + strengths[i] = mesh_strengths_[i]*mesh_ptr_->volume(i); } } else if (!get_node_value_bool(node, "volume_normalized")){ for (int i = 0; i < tot_bins_; i++){ @@ -228,7 +227,7 @@ MeshIndependent::MeshIndependent(pugi::xml_node node) } } else if (get_node_value_bool(node, "volume_normalized")){ for (int i = 0; ivolume(i); + strengths[i] = mesh_ptr_->volume(i); } } else { for (int i = 0; isample(seed, tet_bin); + return mesh_ptr_->sample(seed, tet_bin); } diff --git a/src/mesh.cpp b/src/mesh.cpp index b37c238f1..453ce572b 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -358,8 +358,14 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const return ijk; } -Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const { +Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const +{ fatal_error("Position sampling on structured meshes is not yet implemented"); +} + +double StructuredMesh::volume(int bin) const +{ + fatal_error("Unable to get volume of structured mesh, not yet implemented"); } int StructuredMesh::get_bin(Position r) const diff --git a/src/source.cpp b/src/source.cpp index 2ceff9964..2fdcc319f 100644 --- a/src/source.cpp +++ b/src/source.cpp @@ -95,7 +95,7 @@ IndependentSource::IndependentSource(pugi::xml_node node) } else if (type == "spherical") { space_ = UPtrSpace {new SphericalIndependent(node_space)}; } else if (type =="mesh"){ - space_ = UPtrSpace {new MeshIndependent(node_space)}; + space_ = UPtrSpace {new MeshSpatial(node_space)}; } else if (type == "box") { space_ = UPtrSpace {new SpatialBox(node_space)}; } else if (type == "fission") { diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index dfbe74d05..6f8d6fded 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -34,15 +34,14 @@ class UnstructuredMeshSourceTest(PyAPITestHarness): # shown below average_in_hex = 10.0 - call(['../../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] + - glob.glob('tracks_p*.h5')) - - # loop over the tracks and get data + # Load in tracks + openmc.Tracks.combine(glob.glob('tracks_p*.h5')) tracks = openmc.Tracks(filepath='tracks.h5') tracks_born = np.empty((len(tracks), 1)) instances = np.zeros(1000) + # loop over the tracks and get data for i in range(0, len(tracks)): tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0] instances[int(tracks_born[i])-1] += 1 @@ -113,9 +112,9 @@ def test_unstructured_mesh(test_opts): for i in range(0,dimen+1): coord = -10.0 + i * size_hex - surfaces[i][0] = openmc.XPlane(coord, name="X plane at "+str(coord)) - surfaces[i][1] = openmc.YPlane(coord, name="Y plane at "+str(coord)) - surfaces[i][2] = openmc.ZPlane(coord, name="Z plane at "+str(coord)) + surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}") + surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}") + surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}") surfaces[i][0].boundary_type = 'vacuum' surfaces[i][1].boundary_type = 'vacuum' @@ -126,8 +125,8 @@ def test_unstructured_mesh(test_opts): for i in range(0,dimen): cell[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k))) cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ - +surfaces[j][1] & -surfaces[j+1][1] & \ - +surfaces[k][2] & -surfaces[k+1][2] + +surfaces[j][1] & -surfaces[j+1][1] & \ + +surfaces[k][2] & -surfaces[k+1][2] cell[i][j][k].fill = None universe.add_cell(cell[i][j][k]) @@ -158,13 +157,13 @@ def test_unstructured_mesh(test_opts): # source setup if test_opts['schemes'] == 'volume': - space = openmc.stats.MeshIndependent(volume_normalized=True, mesh=uscd_mesh) + space = openmc.stats.MeshSpatial(volume_normalized=True, mesh=uscd_mesh) elif test_opts['schemes'] == 'file': array = np.zeros(12000) for i in range(0, 12): array[i] = 10 array[i+12] = 2 - space = openmc.stats.MeshIndependent(volume_normalized=False, strengths=array, mesh=uscd_mesh) + space = openmc.stats.MeshSpatial(volume_normalized=False, strengths=array, mesh=uscd_mesh) energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) source = openmc.Source(space=space, energy=energy) From 115be68953b30e64aa886c55db13b0e9d212f3c5 Mon Sep 17 00:00:00 2001 From: NybergWISC Date: Mon, 15 Aug 2022 09:30:57 -0500 Subject: [PATCH 07/51] Small refactor of distribution_spatial.cpp and change default of volume_normalized to True --- openmc/stats/multivariate.py | 2 +- src/distribution_spatial.cpp | 33 ++++++++----------- .../unstructured_mesh/source_sampling/test.py | 4 ++- 3 files changed, 17 insertions(+), 22 deletions(-) diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index 9aa03b2d7..88beea2f7 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -643,7 +643,7 @@ class MeshSpatial(Spatial): """ - def __init__(self, mesh, strengths=None, volume_normalized=False): + def __init__(self, mesh, strengths=None, volume_normalized=True): self.mesh = mesh self.strengths = strengths self.volume_normalized = volume_normalized diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index 6d00739b0..b47b85281 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -212,34 +212,27 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) // Volume scheme is weighted by the volume of each tet // File scheme is weighted by an array given in the xml file + mesh_strengths_ = std::vector(tot_bins_, 1.0); if (check_for_node(node, "strengths")) { - mesh_strengths_ = get_node_array(node, "strengths"); - if (mesh_strengths_.size() != tot_bins_){ - fatal_error("The size of the strengths array from the xml file does not equal the number of elements in the mesh."); - } if (get_node_value_bool(node, "volume_normalized")){ - for (int i = 0; i < tot_bins_; i++){ - strengths[i] = mesh_strengths_[i]*mesh_ptr_->volume(i); - } - } else if (!get_node_value_bool(node, "volume_normalized")){ - for (int i = 0; i < tot_bins_; i++){ - strengths[i] = mesh_strengths_[i]; + strengths = get_node_array(node, "strengths"); + if (strengths.size() != mesh_strengths_.size()){ + fatal_error("Number of entries in the strength matrix does not match the number of mesh entities"); } - } - } else if (get_node_value_bool(node, "volume_normalized")){ - for (int i = 0; ivolume(i); - } - } else { - for (int i = 0; ivolume(i); } } + for (int i = 0; i Date: Mon, 15 Aug 2022 13:04:47 -0500 Subject: [PATCH 08/51] Remove second volume method from mesh header file --- include/openmc/mesh.h | 6 ------ 1 file changed, 6 deletions(-) diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 8015d2e4c..310320486 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -483,8 +483,6 @@ public: void to_hdf5(hid_t group) const override; - virtual double volume(int bin) const = 0; - std::string bin_label(int bin) const override; // Methods @@ -528,10 +526,6 @@ public: //! \return element connectivity as IDs of the vertices virtual std::vector connectivity(int id) const = 0; - //! Get the volume of a mesh bin - // - //! \param[in] bin Bin to return the volume for - //! \return Volume of the bin virtual double volume(int bin) const = 0; //! Get the library used for this unstructured mesh From fba3a9a118220b40065bbdcd7d641a3b8926cb50 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Wed, 21 Dec 2022 10:52:52 -0600 Subject: [PATCH 09/51] tet_bin to elem_bin suggestion from @eepeterson --- src/distribution_spatial.cpp | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index b47b85281..a0cfec2f0 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -193,7 +193,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id")); // Get pointer to spatial distribution mesh_idx_ = model::mesh_map.at(mesh_id); - + // Check whether mesh pointer points to a mesh mesh_ptr_ = dynamic_cast(model::meshes[mesh_idx_].get()); if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); } @@ -237,15 +237,14 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) } Position MeshSpatial::sample(uint64_t* seed) const -{ +{ // Create random variable for sampling element from mesh float eta = prn(seed); // Sample over the CDF defined in initialization above - int32_t tet_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); - return mesh_ptr_->sample(seed, tet_bin); + int32_t elem_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); + return mesh_ptr_->sample(seed, elem_bin); } - //============================================================================== // SpatialBox implementation //============================================================================== From 0ffe0b39c11259c50b1be8fa8210830208af8cec Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 23 Dec 2022 12:10:47 -0600 Subject: [PATCH 10/51] Adding docstrings to MeshSpatial Python class --- openmc/stats/multivariate.py | 36 +++++++++++++++++++++++++----------- 1 file changed, 25 insertions(+), 11 deletions(-) diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index 88beea2f7..bff8c301a 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -9,7 +9,7 @@ import numpy as np import openmc.checkvalue as cv from .._xml import get_text from .univariate import Univariate, Uniform, PowerLaw -from ..mesh import MeshBase +from ..mesh import MeshBase, MESHES class UnitSphere(ABC): @@ -276,6 +276,8 @@ class Spatial(ABC): return Box.from_xml_element(elem) elif distribution == 'point': return Point.from_xml_element(elem) + elif distribution == 'mesh': + return MeshSpatial.from_xml_element(elem) class CartesianIndependent(Spatial): @@ -622,29 +624,36 @@ class CylindricalIndependent(Spatial): class MeshSpatial(Spatial): """Spatial distribution for a mesh. - This distribution specifies a mesh to sample over, chooses whether it will be volume normalized, and can set the source strengths. + This distribution specifies a mesh to sample over, chooses whether it will + be volume normalized, and can set the source strengths. .. versionadded:: 0.13 Parameters ---------- mesh : openmc.MeshBase - The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution + The mesh instance used for sampling, mesh is written into settings.xml, + mesh.id is written into the source distribution strengths : Iterable of Real, optional - A list of values which represent the weights of each element - + A list of values which represent the weights of each element. If no source + strengths are specified, they will be equal for all mesh elements. + volume_normalized : bool, optional + Whether or not the strengths will be normalized by volume. Default is True. Attributes ---------- mesh : openmc.MeshBase - The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution + The mesh instance used for sampling, mesh is written into settings.xml, + mesh.id is written into the source distribution strengths : Iterable of Real, optional A list of values which represent the weights of each element - + volume_normalized : bool + Whether or not the strengths will be normalized by volume. """ - def __init__(self, mesh, strengths=None, volume_normalized=True): - self.mesh = mesh + def __init__(self, + mesh, strengths=None, volume_normalized=True): + self.mesh = mesh self.strengths = strengths self.volume_normalized = volume_normalized @@ -684,7 +693,7 @@ class MeshSpatial(Spatial): if self.strengths == None: raise ValueError('Strengths are not set') return self.strengths.size - + def to_xml_element(self): """Return XML representation of the spatial distribution @@ -722,13 +731,18 @@ class MeshSpatial(Spatial): """ mesh_id = int(elem.get('mesh_id')) + + # check if this mesh has been read in from another location already + if mesh_id not in MESHES: + raise RuntimeError(f'Could not locate mesh with ID "{mesh_id}"') + volume_normalized = elem.get("volume_normalized") volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true' if elem.get('strengths') is not None: strengths = [float(b) for b in get_text(elem, 'strengths').split()] else: strengths = None - return cls(volume_normalized, mesh_id, strengths) + return cls(MESHES[mesh_id], strengths, volume_normalized) class Box(Spatial): From e100689c8fb84a9dcc55c784839458cec1aa8720 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 23 Dec 2022 12:13:04 -0600 Subject: [PATCH 11/51] Minor updates to C++ source. Fix for CDF distribution sampling --- include/openmc/distribution_spatial.h | 11 +++++---- src/distribution_spatial.cpp | 32 +++++++++++++-------------- src/mesh.cpp | 18 +++++++-------- 3 files changed, 32 insertions(+), 29 deletions(-) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 6d771fd6b..0be6329f5 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -108,14 +108,17 @@ public: //! \return Sampled position Position sample(uint64_t* seed) const; + const unique_ptr& mesh() const { return model::meshes.at(mesh_idx_); } + + int32_t n_sources() const { return this->mesh()->n_bins(); } + private: - Mesh* mesh_ptr_; - int32_t mesh_idx_; + Mesh* mesh_ptr_ {nullptr}; + int32_t mesh_idx_ {C_NONE}; std::string sample_scheme_; - double total_strength_; + double total_strength_ {0.0}; std::vector mesh_CDF_; std::vector mesh_strengths_; - int32_t tot_bins_; }; //============================================================================== diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index a0cfec2f0..7418b483a 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -198,21 +198,18 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) mesh_ptr_ = dynamic_cast(model::meshes[mesh_idx_].get()); if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); } - // Initialize arrays for CDF creation - tot_bins_ = mesh_ptr_->n_bins(); - std::vector strengths = {}; - strengths.resize(tot_bins_); - double temp_total_strength = 0.0; - mesh_CDF_.resize(tot_bins_+1); + int32_t n_bins = this->n_sources(); + std::vector strengths(n_bins, 0.0); + + mesh_CDF_.resize(n_bins+1); mesh_CDF_[0] = {0.0}; total_strength_ = 0.0; - mesh_strengths_.resize(tot_bins_); + mesh_strengths_.resize(n_bins); // Create cdfs for sampling for an element over a mesh // Volume scheme is weighted by the volume of each tet // File scheme is weighted by an array given in the xml file - - mesh_strengths_ = std::vector(tot_bins_, 1.0); + mesh_strengths_ = std::vector(n_bins, 1.0); if (check_for_node(node, "strengths")) { strengths = get_node_array(node, "strengths"); if (strengths.size() != mesh_strengths_.size()){ @@ -222,24 +219,27 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) } if (get_node_value_bool(node, "volume_normalized")) { - for (int i = 0; i < tot_bins_; i++) { + for (int i = 0; i < n_bins; i++) { mesh_strengths_[i] *= mesh_ptr_->volume(i); } } - for (int i = 0; i FP_COINCIDENT) { + fatal_error(fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}", mesh_CDF_.back())); + } + mesh_CDF_.back() = 1.0; } Position MeshSpatial::sample(uint64_t* seed) const { // Create random variable for sampling element from mesh - float eta = prn(seed); + double eta = prn(seed); // Sample over the CDF defined in initialization above int32_t elem_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); return mesh_ptr_->sample(seed, elem_bin); diff --git a/src/mesh.cpp b/src/mesh.cpp index 453ce572b..abb6f8b8c 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -219,9 +219,9 @@ Position UnstructuredMesh::sample_tet(std::array coords, uint64_t* u = old_s + t + u - 1; } } - return s*(coords[1]-coords[0]) - + t*(coords[2]-coords[0]) - + u*(coords[3]-coords[0]) + return s*(coords[1]-coords[0]) + + t*(coords[2]-coords[0]) + + u*(coords[3]-coords[0]) + coords[0]; } @@ -358,12 +358,12 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const return ijk; } -Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const +Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const { fatal_error("Position sampling on structured meshes is not yet implemented"); -} +} -double StructuredMesh::volume(int bin) const +double StructuredMesh::volume(int bin) const { fatal_error("Unable to get volume of structured mesh, not yet implemented"); } @@ -2111,7 +2111,7 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const { for (int i = 0; i < 4; i++) { tet_verts[i] = {p[i][0], p[i][1], p[i][2]}; } - // Samples position within tet using Barycentric stuff + // Samples position within tet using Barycentric stuff Position r = this->sample_tet(tet_verts, seed); return r; @@ -2579,7 +2579,7 @@ Position LibMesh::sample(uint64_t* seed, int32_t bin) const { auto node_ref = elem.node_ref(i); tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)}; } - // Samples position within tet using Barycentric coordinates + // Samples position within tet using Barycentric coordinates Position r = this->sample_tet(tet_verts, seed); return r; @@ -2766,7 +2766,7 @@ const libMesh::Elem& LibMesh::get_element_from_bin(int bin) const double LibMesh::volume(int bin) const { - return m_->elem_ref(bin).volume(); + return this->get_element_from_bin(bin).volume(); } #endif // LIBMESH From 8e6ce2e16f00c9c61eaef699dc85adec075a75d0 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 23 Dec 2022 12:13:35 -0600 Subject: [PATCH 12/51] Updates to unstructured mesh sampling tests. --- .../source_sampling/inputs_true0.dat | 6 - .../source_sampling/inputs_true1.dat | 6 - .../source_sampling/inputs_true2.dat | 6 - .../source_sampling/inputs_true3.dat | 6 - .../unstructured_mesh/source_sampling/test.py | 109 +++++++++--------- 5 files changed, 56 insertions(+), 77 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat index c85bdd920..d632825ba 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat @@ -1058,9 +1058,3 @@ 10000 - - - - scatter total absorption - - diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat index dca3958c3..7ea0a1bd7 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat @@ -1060,9 +1060,3 @@ 10000 - - - - scatter total absorption - - diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat index be58bd8f9..24c9400c9 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat @@ -1058,9 +1058,3 @@ 10000 - - - - scatter total absorption - - diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat index 5003e7b1b..b4a17a948 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat @@ -1060,9 +1060,3 @@ 10000 - - - - scatter total absorption - - diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 46d1e0cb0..b0473a839 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -14,10 +14,13 @@ from subprocess import call TETS_PER_VOXEL = 12 +# This test uses a geometry file that resembles a regular mesh. +# 12 tets are used to match each voxel in the geometry. + class UnstructuredMeshSourceTest(PyAPITestHarness): - def __init__(self, statepoint_name, model, inputs_true, schemes): + def __init__(self, statepoint_name, model, inputs_true, source_strengths): super().__init__(statepoint_name, model, inputs_true) - self.schemes = schemes + self.source_strengths = source_strengths def _run_openmc(self): kwargs = {'openmc_exec' : config['exe'], @@ -30,36 +33,43 @@ class UnstructuredMeshSourceTest(PyAPITestHarness): openmc.run(**kwargs) def _compare_results(self): - # There are 10000 particles and 1000 hexes, this leads to the average - # shown below + # This model contains 1000 geometry cells. Each cell is a hex + # corresponding to 12 of the tets. This test runs 10000 particles. This + # results in the following average for each cell + + # we can compute this based on the number of particles run in the simulation average_in_hex = 10.0 # Load in tracks if config['mpi']: openmc.Tracks.combine(glob.glob('tracks_p*.h5')) - + tracks = openmc.Tracks(filepath='tracks.h5') tracks_born = np.empty((len(tracks), 1)) - instances = np.zeros(1000) + # create an array with an entry for each geometric cell + cell_counts = np.zeros(1000) # loop over the tracks and get data for i in range(0, len(tracks)): + # get the initial cell ID of the track, and assign it for the tracks_born array tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0] - instances[int(tracks_born[i])-1] += 1 + # increment the cell_counts entry for this cell_id + cell_counts[int(tracks_born[i])-1] += 1 - if self.schemes == "file": - assert(instances[0] > 0 and instances[1] > 0) - assert(instances[0] > instances[1]) + if self.source_strengths == 'manual': + assert(cell_counts[0] > 0 and cell_counts[1] > 0) + assert(cell_counts[0] > cell_counts[1]) - for i in range(2, len(instances)): - assert(instances[i] == 0) + # counts for all other cells should be zero + for i in range(2, len(cell_counts)): + assert(cell_counts[i] == 0) else: - assert(np.average(instances) == average_in_hex) - assert(np.std(instances) < np.average(instances)) - assert(np.amax(instances) < np.average(instances)+6*np.std(instances)) - + # check that the average number of source sites in each cell + assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact??? + assert(np.std(cell_counts) < np.average(cell_counts)) + assert(np.amax(cell_counts) < np.average(cell_counts)+6*np.std(cell_counts)) def _cleanup(self): super()._cleanup() @@ -70,24 +80,23 @@ class UnstructuredMeshSourceTest(PyAPITestHarness): os.remove(f) param_values = (['libmesh', 'moab'], # mesh libraries - ['volume', 'file']) # Element weighting schemes + ['uniform', 'manual']) # Element weighting schemes test_cases = [] for i, (lib, schemes) in enumerate(product(*param_values)): test_cases.append({'library' : lib, - 'schemes' : schemes, + 'source_strengths' : schemes, 'inputs_true' : 'inputs_true{}.dat'.format(i)}) -@pytest.mark.parametrize("test_opts", test_cases) -def test_unstructured_mesh(test_opts): - +@pytest.mark.parametrize("test_cases", test_cases) +def test_unstructured_mesh_sampling(test_cases): openmc.reset_auto_ids() # skip the test if the library is not enabled - if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled(): + if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") - if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): + if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): pytest.skip("LibMesh is not enabled in this build.") ### Materials ### @@ -134,38 +143,34 @@ def test_unstructured_mesh(test_opts): geometry = openmc.Geometry(universe) - mesh_filename = "test_mesh_tets.e" - - uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_opts['library']) - - ### Tallies ### - - # create tallies - tallies = openmc.Tallies() - - tally1 = openmc.Tally(1) - tally1.scores = ['scatter', 'total', 'absorption'] - # Export tallies - tallies = openmc.Tallies([tally1]) - tallies.export_to_xml() - ### Settings ### settings = openmc.Settings() settings.run_mode = 'fixed source' settings.particles = 5000 settings.batches = 2 - settings.max_tracks = 10000 + settings.max_tracks = settings.particles * settings.batches - # source setup - if test_opts['schemes'] == 'volume': - space = openmc.stats.MeshSpatial(volume_normalized=True, mesh=uscd_mesh) - elif test_opts['schemes'] == 'file': - array = np.zeros(12000) - for i in range(0, 12): - array[i] = 10 - array[i+12] = 2 - space = openmc.stats.MeshSpatial(volume_normalized=False, strengths=array, mesh=uscd_mesh) + ### Source ### + mesh_filename = "test_mesh_tets.e" + + uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library']) + + # set source weights according to test case + if test_cases['source_strengths'] == 'uniform': + vol_norm = True + strengths = None + + elif test_cases['source_strengths'] == 'manual': + vol_norm = False + strengths = np.zeros(12000) + # set non-zero strengths only for the tets corresponding to the + # first two geometric hex cells + strengths[0:12] = 10 + strengths[12:24] = 2 + + # create the spatial distribution based on the mesh + space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm) energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) source = openmc.Source(space=space, energy=energy) @@ -173,11 +178,9 @@ def test_unstructured_mesh(test_opts): model = openmc.model.Model(geometry=geometry, materials=materials, - tallies=tallies, settings=settings) - harness = UnstructuredMeshSourceTest('statepoint.2.h5', model, - test_opts['inputs_true'], - test_opts['schemes']) - harness.main() + test_cases['inputs_true'], + test_cases['source_strengths']) + harness.main() \ No newline at end of file From 03811745a06208ebf8d749d85fe9ba92c9251ca9 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 23 Dec 2022 14:33:56 -0600 Subject: [PATCH 13/51] Skip mesh elements without an ID due to overlap in name with WW element --- openmc/mesh.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index 157e78263..e314aab3e 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -188,7 +188,7 @@ class StructuredMesh(MeshBase): Returns a numpy.ndarray representing the mesh element centroid coordinates with a shape equal to (ndim, dim1, ..., dimn). Can be unpacked along the first dimension with xx, yy, zz = mesh.centroids. - + """ ndim = self.n_dimension From ce956f851546536711b6dbd44cc791ab5f72f605 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 23 Dec 2022 14:34:17 -0600 Subject: [PATCH 14/51] Run ww unit test in tmp dir --- tests/unit_tests/weightwindows/test.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py index d73a52f45..1dfad56aa 100644 --- a/tests/unit_tests/weightwindows/test.py +++ b/tests/unit_tests/weightwindows/test.py @@ -225,7 +225,7 @@ def test_lower_ww_bounds_shape(): assert ww.lower_ww_bounds.shape == (2, 3, 4, 1) -def test_roundtrip(model, wws): +def test_roundtrip(run_in_tmpdir, model, wws): model.settings.weight_windows = wws # write the model with weight windows to XML From 0a83824bea30cfdd8b9fc289f6441d737ad03a02 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 23 Dec 2022 23:44:04 -0600 Subject: [PATCH 15/51] Improve distribution testing --- .../unstructured_mesh/source_sampling/test.py | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index b0473a839..a2d23b226 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -18,9 +18,8 @@ TETS_PER_VOXEL = 12 # 12 tets are used to match each voxel in the geometry. class UnstructuredMeshSourceTest(PyAPITestHarness): - def __init__(self, statepoint_name, model, inputs_true, source_strengths): + def __init__(self, statepoint_name, model, inputs_true): super().__init__(statepoint_name, model, inputs_true) - self.source_strengths = source_strengths def _run_openmc(self): kwargs = {'openmc_exec' : config['exe'], @@ -57,7 +56,9 @@ class UnstructuredMeshSourceTest(PyAPITestHarness): # increment the cell_counts entry for this cell_id cell_counts[int(tracks_born[i])-1] += 1 - if self.source_strengths == 'manual': + source_strengths = self._model.settings.source[0].space.strengths + + if source_strengths is not None: assert(cell_counts[0] > 0 and cell_counts[1] > 0) assert(cell_counts[0] > cell_counts[1]) @@ -67,9 +68,11 @@ class UnstructuredMeshSourceTest(PyAPITestHarness): else: # check that the average number of source sites in each cell + diff = np.abs(cell_counts - average_in_hex) + assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact??? - assert(np.std(cell_counts) < np.average(cell_counts)) - assert(np.amax(cell_counts) < np.average(cell_counts)+6*np.std(cell_counts)) + assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75) + assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97) def _cleanup(self): super()._cleanup() @@ -181,6 +184,5 @@ def test_unstructured_mesh_sampling(test_cases): settings=settings) harness = UnstructuredMeshSourceTest('statepoint.2.h5', model, - test_cases['inputs_true'], - test_cases['source_strengths']) + test_cases['inputs_true']) harness.main() \ No newline at end of file From 2779902287af68278e8a8f0be9930f6e4f9462c4 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Mon, 26 Dec 2022 15:24:43 -0600 Subject: [PATCH 16/51] Refactoring mesh sampling test to use openmc.lib. Making model a fixture --- .../unstructured_mesh/source_sampling/test.py | 262 ++++++++---------- 1 file changed, 118 insertions(+), 144 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index a2d23b226..3e1609426 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -8,55 +8,141 @@ import numpy as np import openmc import openmc.lib -from tests.testing_harness import PyAPITestHarness +from tests import cdtemp from tests.regression_tests import config from subprocess import call TETS_PER_VOXEL = 12 -# This test uses a geometry file that resembles a regular mesh. -# 12 tets are used to match each voxel in the geometry. -class UnstructuredMeshSourceTest(PyAPITestHarness): - def __init__(self, statepoint_name, model, inputs_true): - super().__init__(statepoint_name, model, inputs_true) +@pytest.fixture +def model(): + ### Materials ### + materials = openmc.Materials() - def _run_openmc(self): - kwargs = {'openmc_exec' : config['exe'], - 'event_based' : config['event'], - 'tracks' : "True"} + water_mat = openmc.Material(material_id=3, name="water") + water_mat.add_nuclide("H1", 2.0) + water_mat.add_nuclide("O16", 1.0) + water_mat.set_density("atom/b-cm", 0.07416) + materials.append(water_mat) - if config['mpi']: - kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']] + ### Geometry ### + # This test uses a geometry file that resembles a regular mesh. + # 12 tets are used to match each voxel in the geometry. - openmc.run(**kwargs) + dimen = 10 + size_hex = 20.0 / dimen + + cells = np.empty((dimen, dimen, dimen), dtype=object) + surfaces = np.empty((dimen + 1, 3), dtype=object) + + geometry = openmc.Geometry() + universe = openmc.Universe(universe_id=1, name="Contains all hexes") + + for i in range(0,dimen+1): + coord = -dimen + i * size_hex + surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}") + surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}") + surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}") + + surfaces[i][0].boundary_type = 'vacuum' + surfaces[i][1].boundary_type = 'vacuum' + surfaces[i][2].boundary_type = 'vacuum' + + for (k, j, i) in np.ndindex(cells.shape): + cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k))) + cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ + +surfaces[j][1] & -surfaces[j+1][1] & \ + +surfaces[k][2] & -surfaces[k+1][2] + cells[i][j][k].fill = None + + universe.add_cell(cells[i][j][k]) + + geometry = openmc.Geometry(universe) + + ### Settings ### + settings = openmc.Settings() + settings.run_mode = 'fixed source' + settings.particles = 5000 + settings.batches = 2 + + return openmc.model.Model(geometry=geometry, + materials=materials, + settings=settings) + + +param_values = (['libmesh', 'moab'], # mesh libraries + ['uniform', 'manual']) # Element weighting schemes + +test_cases = [] +for i, (lib, schemes) in enumerate(product(*param_values)): + test_cases.append({'library' : lib, + 'source_strengths' : schemes, + 'inputs_true' : 'inputs_true{}.dat'.format(i)}) + +def ids(params): + return f"{params['library']}-{params['source_strengths']}" + +@pytest.mark.parametrize("test_cases", test_cases, ids=ids) +def test_unstructured_mesh_sampling(model, test_cases): + # skip the test if the library is not enabled + if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): + pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") + + if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): + pytest.skip("LibMesh is not enabled in this build.") + + # setup mesh source ### + mesh_filename = "test_mesh_tets.e" + + uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library']) + + n_cells = len(model.geometry.get_all_cells()) + + # set source weights according to test case + if test_cases['source_strengths'] == 'uniform': + vol_norm = True + strengths = None + elif test_cases['source_strengths'] == 'manual': + vol_norm = False + strengths = np.zeros(n_cells*TETS_PER_VOXEL) + # set non-zero strengths only for the tets corresponding to the + # first two geometric hex cells + strengths[0:TETS_PER_VOXEL] = 10 + strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2 + + # create the spatial distribution based on the mesh + space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm) + + energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) + source = openmc.Source(space=space, energy=energy) + model.settings.source = source + + with cdtemp(['test_mesh_tets.e', 'test_mesh_tets.exo']): + model.export_to_xml() + + n_cells = len(model.geometry.get_all_cells()) + + n_samples = 100000 + + cell_counts = np.zeros(n_cells) - def _compare_results(self): # This model contains 1000 geometry cells. Each cell is a hex # corresponding to 12 of the tets. This test runs 10000 particles. This # results in the following average for each cell + average_in_hex = n_samples / n_cells - # we can compute this based on the number of particles run in the simulation - average_in_hex = 10.0 + openmc.lib.init([]) - # Load in tracks - if config['mpi']: - openmc.Tracks.combine(glob.glob('tracks_p*.h5')) + sites = openmc.lib.sample_external_source(n_samples) + cells = [openmc.lib.find_cell(s.r) for s in sites] - tracks = openmc.Tracks(filepath='tracks.h5') - tracks_born = np.empty((len(tracks), 1)) + openmc.lib.finalize() - # create an array with an entry for each geometric cell - cell_counts = np.zeros(1000) + for c in cells: + cell_counts[c[0]._index] += 1 - # loop over the tracks and get data - for i in range(0, len(tracks)): - # get the initial cell ID of the track, and assign it for the tracks_born array - tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0] - # increment the cell_counts entry for this cell_id - cell_counts[int(tracks_born[i])-1] += 1 - - source_strengths = self._model.settings.source[0].space.strengths + source_strengths = model.settings.source[0].space.strengths if source_strengths is not None: assert(cell_counts[0] > 0 and cell_counts[1] > 0) @@ -68,121 +154,9 @@ class UnstructuredMeshSourceTest(PyAPITestHarness): else: # check that the average number of source sites in each cell + # is within the expected deviation diff = np.abs(cell_counts - average_in_hex) assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact??? assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75) assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97) - - def _cleanup(self): - super()._cleanup() - output = glob.glob('track*.h5') - output += glob.glob('tally*.e') - for f in output: - if os.path.exists(f): - os.remove(f) - -param_values = (['libmesh', 'moab'], # mesh libraries - ['uniform', 'manual']) # Element weighting schemes - -test_cases = [] -for i, (lib, schemes) in enumerate(product(*param_values)): - test_cases.append({'library' : lib, - 'source_strengths' : schemes, - 'inputs_true' : 'inputs_true{}.dat'.format(i)}) - -@pytest.mark.parametrize("test_cases", test_cases) -def test_unstructured_mesh_sampling(test_cases): - openmc.reset_auto_ids() - - # skip the test if the library is not enabled - if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): - pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") - - if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): - pytest.skip("LibMesh is not enabled in this build.") - - ### Materials ### - materials = openmc.Materials() - - water_mat = openmc.Material(material_id=3, name="water") - water_mat.add_nuclide("H1", 2.0) - water_mat.add_nuclide("O16", 1.0) - water_mat.set_density("atom/b-cm", 0.07416) - materials.append(water_mat) - - materials.export_to_xml() - - ### Geometry ### - dimen = 10 - size_hex = 20.0 / dimen - - ### Geometry ### - cell = np.empty((dimen, dimen, dimen), dtype=object) - surfaces = np.empty((dimen + 1, 3), dtype=object) - - geometry = openmc.Geometry() - universe = openmc.Universe(universe_id=1, name="Contains all hexes") - - for i in range(0,dimen+1): - coord = -10.0 + i * size_hex - surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}") - surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}") - surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}") - - surfaces[i][0].boundary_type = 'vacuum' - surfaces[i][1].boundary_type = 'vacuum' - surfaces[i][2].boundary_type = 'vacuum' - - for k in range(0,dimen): - for j in range(0,dimen): - for i in range(0,dimen): - cell[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k))) - cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ - +surfaces[j][1] & -surfaces[j+1][1] & \ - +surfaces[k][2] & -surfaces[k+1][2] - cell[i][j][k].fill = None - universe.add_cell(cell[i][j][k]) - - geometry = openmc.Geometry(universe) - - ### Settings ### - settings = openmc.Settings() - settings.run_mode = 'fixed source' - settings.particles = 5000 - settings.batches = 2 - - settings.max_tracks = settings.particles * settings.batches - - ### Source ### - mesh_filename = "test_mesh_tets.e" - - uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library']) - - # set source weights according to test case - if test_cases['source_strengths'] == 'uniform': - vol_norm = True - strengths = None - - elif test_cases['source_strengths'] == 'manual': - vol_norm = False - strengths = np.zeros(12000) - # set non-zero strengths only for the tets corresponding to the - # first two geometric hex cells - strengths[0:12] = 10 - strengths[12:24] = 2 - - # create the spatial distribution based on the mesh - space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm) - - energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) - source = openmc.Source(space=space, energy=energy) - settings.source = source - - model = openmc.model.Model(geometry=geometry, - materials=materials, - settings=settings) - harness = UnstructuredMeshSourceTest('statepoint.2.h5', - model, - test_cases['inputs_true']) - harness.main() \ No newline at end of file From ef14e0e8006dc1a8751299ade65d8f485123c3c4 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Mon, 26 Dec 2022 22:29:15 -0600 Subject: [PATCH 17/51] Separating tests into unit and regression tests. --- .../source_sampling/inputs_true0.dat | 7 +- .../source_sampling/inputs_true1.dat | 3 +- .../source_sampling/inputs_true2.dat | 1060 ---------------- .../source_sampling/inputs_true3.dat | 1062 ----------------- .../unstructured_mesh/source_sampling/test.py | 106 +- tests/unit_tests/test_mesh_tets.e | 1 + tests/unit_tests/test_source_mesh.py | 154 +++ 7 files changed, 187 insertions(+), 2206 deletions(-) delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat create mode 120000 tests/unit_tests/test_mesh_tets.e create mode 100644 tests/unit_tests/test_source_mesh.py diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat index d632825ba..43942c473 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat @@ -1045,10 +1045,12 @@ fixed source - 5000 + 100 2 - + + 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat @@ -1045,7 +1045,7 @@ fixed source - 5000 + 100 2 @@ -1058,5 +1058,4 @@ test_mesh_tets.e - 10000 diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat deleted file mode 100644 index 24c9400c9..000000000 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat +++ /dev/null @@ -1,1060 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - - - 15000000.0 1.0 - - - - test_mesh_tets.e - - 10000 - diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 3e1609426..3612c6cf4 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -1,6 +1,4 @@ -import glob from itertools import product -import os import pytest import numpy as np @@ -9,6 +7,7 @@ import openmc import openmc.lib from tests import cdtemp +from tests.testing_harness import PyAPITestHarness from tests.regression_tests import config from subprocess import call @@ -17,6 +16,8 @@ TETS_PER_VOXEL = 12 @pytest.fixture def model(): + openmc.reset_auto_ids() + ### Materials ### materials = openmc.Materials() @@ -63,100 +64,47 @@ def model(): ### Settings ### settings = openmc.Settings() settings.run_mode = 'fixed source' - settings.particles = 5000 + settings.particles = 100 settings.batches = 2 - return openmc.model.Model(geometry=geometry, - materials=materials, - settings=settings) - - -param_values = (['libmesh', 'moab'], # mesh libraries - ['uniform', 'manual']) # Element weighting schemes - -test_cases = [] -for i, (lib, schemes) in enumerate(product(*param_values)): - test_cases.append({'library' : lib, - 'source_strengths' : schemes, - 'inputs_true' : 'inputs_true{}.dat'.format(i)}) - -def ids(params): - return f"{params['library']}-{params['source_strengths']}" - -@pytest.mark.parametrize("test_cases", test_cases, ids=ids) -def test_unstructured_mesh_sampling(model, test_cases): - # skip the test if the library is not enabled - if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): - pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") - - if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): - pytest.skip("LibMesh is not enabled in this build.") - - # setup mesh source ### mesh_filename = "test_mesh_tets.e" - uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library']) + uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh') - n_cells = len(model.geometry.get_all_cells()) + n_cells = len(geometry.get_all_cells()) # set source weights according to test case - if test_cases['source_strengths'] == 'uniform': - vol_norm = True - strengths = None - elif test_cases['source_strengths'] == 'manual': - vol_norm = False - strengths = np.zeros(n_cells*TETS_PER_VOXEL) - # set non-zero strengths only for the tets corresponding to the - # first two geometric hex cells - strengths[0:TETS_PER_VOXEL] = 10 - strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2 + vol_norm = False + strengths = np.zeros(n_cells*TETS_PER_VOXEL) + # set non-zero strengths only for the tets corresponding to the + # first two geometric hex cells + strengths[0:TETS_PER_VOXEL] = 10 + strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2 # create the spatial distribution based on the mesh space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm) energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) source = openmc.Source(space=space, energy=energy) - model.settings.source = source + settings.source = source - with cdtemp(['test_mesh_tets.e', 'test_mesh_tets.exo']): - model.export_to_xml() + return openmc.model.Model(geometry=geometry, + materials=materials, + settings=settings) - n_cells = len(model.geometry.get_all_cells()) - n_samples = 100000 +test_cases = [] +for i, lib, in enumerate(['libmesh', 'moab']): + test_cases.append({'library' : lib, + 'inputs_true' : 'inputs_true{}.dat'.format(i)}) - cell_counts = np.zeros(n_cells) +def ids(params): + return params['library'] - # This model contains 1000 geometry cells. Each cell is a hex - # corresponding to 12 of the tets. This test runs 10000 particles. This - # results in the following average for each cell - average_in_hex = n_samples / n_cells +@pytest.mark.parametrize("test_cases", test_cases, ids=ids) +def test_unstructured_mesh_sampling(model, test_cases): - openmc.lib.init([]) + model.settings.source[0].space.mesh.libaray = test_cases['library'] - sites = openmc.lib.sample_external_source(n_samples) - cells = [openmc.lib.find_cell(s.r) for s in sites] - - openmc.lib.finalize() - - for c in cells: - cell_counts[c[0]._index] += 1 - - source_strengths = model.settings.source[0].space.strengths - - if source_strengths is not None: - assert(cell_counts[0] > 0 and cell_counts[1] > 0) - assert(cell_counts[0] > cell_counts[1]) - - # counts for all other cells should be zero - for i in range(2, len(cell_counts)): - assert(cell_counts[i] == 0) - - else: - # check that the average number of source sites in each cell - # is within the expected deviation - diff = np.abs(cell_counts - average_in_hex) - - assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact??? - assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75) - assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97) + harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true']) + harness.main() \ No newline at end of file diff --git a/tests/unit_tests/test_mesh_tets.e b/tests/unit_tests/test_mesh_tets.e new file mode 120000 index 000000000..8a6287b4d --- /dev/null +++ b/tests/unit_tests/test_mesh_tets.e @@ -0,0 +1 @@ +../regression_tests/unstructured_mesh/test_mesh_tets.e \ No newline at end of file diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py new file mode 100644 index 000000000..f9273b7c5 --- /dev/null +++ b/tests/unit_tests/test_source_mesh.py @@ -0,0 +1,154 @@ +from itertools import product + +import pytest +import numpy as np + +import openmc +import openmc.lib + +from tests import cdtemp +from tests.regression_tests import config +from subprocess import call + +TETS_PER_VOXEL = 12 + +@pytest.fixture +def model(): + openmc.reset_auto_ids() + + ### Materials ### + materials = openmc.Materials() + + water_mat = openmc.Material(material_id=3, name="water") + water_mat.add_nuclide("H1", 2.0) + water_mat.add_nuclide("O16", 1.0) + water_mat.set_density("atom/b-cm", 0.07416) + materials.append(water_mat) + + ### Geometry ### + # This test uses a geometry file that resembles a regular mesh. + # 12 tets are used to match each voxel in the geometry. + + dimen = 10 + size_hex = 20.0 / dimen + + cells = np.empty((dimen, dimen, dimen), dtype=object) + surfaces = np.empty((dimen + 1, 3), dtype=object) + + geometry = openmc.Geometry() + universe = openmc.Universe(universe_id=1, name="Contains all hexes") + + for i in range(0, dimen+1): + coord = -dimen + i * size_hex + surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}") + surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}") + surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}") + + surfaces[i][0].boundary_type = 'vacuum' + surfaces[i][1].boundary_type = 'vacuum' + surfaces[i][2].boundary_type = 'vacuum' + + for (k, j, i) in np.ndindex(cells.shape): + cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k))) + cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ + +surfaces[j][1] & -surfaces[j+1][1] & \ + +surfaces[k][2] & -surfaces[k+1][2] + cells[i][j][k].fill = None + + universe.add_cell(cells[i][j][k]) + + geometry = openmc.Geometry(universe) + + ### Settings ### + settings = openmc.Settings() + settings.run_mode = 'fixed source' + settings.particles = 100 + settings.batches = 2 + + return openmc.model.Model(geometry=geometry, + materials=materials, + settings=settings) + +param_values = (['libmesh', 'moab'], # mesh libraries + ['uniform', 'manual']) # Element weighting schemes + +test_cases = [] +for i, (lib, schemes) in enumerate(product(*param_values)): + test_cases.append({'library' : lib, + 'source_strengths' : schemes}) + +def ids(params): + return f"{params['library']}-{params['source_strengths']}" + +@pytest.mark.parametrize("test_cases", test_cases, ids=ids) +def test_unstructured_mesh_sampling(model, test_cases): + # skip the test if the library is not enabled + if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): + pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") + + if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): + pytest.skip("LibMesh is not enabled in this build.") + + # setup mesh source ### + mesh_filename = "test_mesh_tets.e" + + uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library']) + + n_cells = len(model.geometry.get_all_cells()) + + # set source weights according to test case + if test_cases['source_strengths'] == 'uniform': + vol_norm = True + strengths = None + elif test_cases['source_strengths'] == 'manual': + vol_norm = False + strengths = np.zeros(n_cells*TETS_PER_VOXEL) + # set non-zero strengths only for the tets corresponding to the + # first two geometric hex cells + strengths[0:TETS_PER_VOXEL] = 10 + strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2 + + # create the spatial distribution based on the mesh + space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm) + + energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) + source = openmc.Source(space=space, energy=energy) + model.settings.source = source + + with cdtemp(['test_mesh_tets.e']): + model.export_to_xml() + + n_cells = len(model.geometry.get_all_cells()) + + n_samples = 50000 + + cell_counts = np.zeros(n_cells) + + # This model contains 1000 geometry cells. Each cell is a hex + # corresponding to 12 of the tets. This test runs 10000 particles. This + # results in the following average for each cell + average_in_hex = n_samples / n_cells + + openmc.lib.init([]) + sites = openmc.lib.sample_external_source(n_samples) + cells = [openmc.lib.find_cell(s.r) for s in sites] + openmc.lib.finalize() + + for c in cells: + cell_counts[c[0]._index] += 1 + + if strengths is not None: + assert(cell_counts[0] > 0 and cell_counts[1] > 0) + assert(cell_counts[0] > cell_counts[1]) + + # counts for all other cells should be zero + for i in range(2, len(cell_counts)): + assert(cell_counts[i] == 0) + else: + # check that the average number of source sites in each cell + # is within the expected deviation + diff = np.abs(cell_counts - average_in_hex) + + assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact??? + assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75) + assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97) From bc7c8cd89260181c4b30c9e854062bb515602b51 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Mon, 26 Dec 2022 22:30:18 -0600 Subject: [PATCH 18/51] Adding empty results for now --- .../unstructured_mesh/source_sampling/results_true.dat | 0 .../unstructured_mesh/source_sampling/test_mesh_tets.exo | 1 - 2 files changed, 1 deletion(-) create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat delete mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat b/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat new file mode 100644 index 000000000..e69de29bb diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo deleted file mode 120000 index 6d40011d4..000000000 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo +++ /dev/null @@ -1 +0,0 @@ -../test_mesh_tets.exo \ No newline at end of file From 996930f7f1a924d127829dda136e6a76d9e4db4d Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Mon, 26 Dec 2022 22:57:37 -0600 Subject: [PATCH 19/51] Improved testing for manually set source strengths --- tests/unit_tests/test_source_mesh.py | 50 +++++++++++++++------------- 1 file changed, 27 insertions(+), 23 deletions(-) diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index f9273b7c5..18c6f3360 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -102,11 +102,8 @@ def test_unstructured_mesh_sampling(model, test_cases): strengths = None elif test_cases['source_strengths'] == 'manual': vol_norm = False - strengths = np.zeros(n_cells*TETS_PER_VOXEL) - # set non-zero strengths only for the tets corresponding to the - # first two geometric hex cells - strengths[0:TETS_PER_VOXEL] = 10 - strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2 + # assign random weights + strengths = np.random.rand(n_cells*TETS_PER_VOXEL) # create the spatial distribution based on the mesh space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm) @@ -120,9 +117,10 @@ def test_unstructured_mesh_sampling(model, test_cases): n_cells = len(model.geometry.get_all_cells()) - n_samples = 50000 + n_measurements = 100 + n_samples = 1000 - cell_counts = np.zeros(n_cells) + cell_counts = np.zeros((n_cells, n_measurements)) # This model contains 1000 geometry cells. Each cell is a hex # corresponding to 12 of the tets. This test runs 10000 particles. This @@ -130,25 +128,31 @@ def test_unstructured_mesh_sampling(model, test_cases): average_in_hex = n_samples / n_cells openmc.lib.init([]) - sites = openmc.lib.sample_external_source(n_samples) - cells = [openmc.lib.find_cell(s.r) for s in sites] + + # perform many sets of samples and track counts for each cell + for m in range(n_measurements): + sites = openmc.lib.sample_external_source(n_samples) + cells = [openmc.lib.find_cell(s.r) for s in sites] + + for c in cells: + cell_counts[c[0]._index, m] += 1 + openmc.lib.finalize() - for c in cells: - cell_counts[c[0]._index] += 1 + # normalize cell counts to get sampling frequency per particle + cell_counts /= n_samples - if strengths is not None: - assert(cell_counts[0] > 0 and cell_counts[1] > 0) - assert(cell_counts[0] > cell_counts[1]) + # get the mean and std. dev. of the cell counts + mean = cell_counts.mean(axis=1) + std_dev = cell_counts.std(axis=1) - # counts for all other cells should be zero - for i in range(2, len(cell_counts)): - assert(cell_counts[i] == 0) + if test_cases['source_strengths'] == 'uniform': + exp_vals = np.ones(n_cells) / n_cells else: - # check that the average number of source sites in each cell - # is within the expected deviation - diff = np.abs(cell_counts - average_in_hex) + # sum up the source strengths for each tet, these are the expected true mean + # of the sampling frequency for that cell + exp_vals = strengths.reshape(-1, 12).sum(axis=1) / sum(strengths) - assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact??? - assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75) - assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97) + diff = np.abs(mean - exp_vals) + assert((diff < 2*std_dev).sum() / diff[:10].size >= 0.95) + assert((diff < 6*std_dev).sum() / diff.size >= 0.97) From eca2a1ad2eefa5c3ee14c63ea612c150330cf781 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 27 Dec 2022 11:45:11 -0600 Subject: [PATCH 20/51] Reworking geometry model. --- .../source_sampling/inputs_true0.dat | 2155 +++++++++-------- .../source_sampling/inputs_true1.dat | 2155 +++++++++-------- .../unstructured_mesh/source_sampling/test.py | 44 +- tests/unit_tests/test_source_mesh.py | 47 +- 4 files changed, 2274 insertions(+), 2127 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat index 43942c473..dcb56d403 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat @@ -1,1038 +1,1127 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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+971 972 973 974 975 976 977 978 979 980 +961 962 963 964 965 966 967 968 969 970 +951 952 953 954 955 956 957 958 959 960 +941 942 943 944 945 946 947 948 949 950 +931 932 933 934 935 936 937 938 939 940 +921 922 923 924 925 926 927 928 929 930 +911 912 913 914 915 916 917 918 919 920 +901 902 903 904 905 906 907 908 909 910 + + + + + + + diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 3612c6cf4..d4b445f35 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -13,6 +13,8 @@ from subprocess import call TETS_PER_VOXEL = 12 +# This test uses a geometry file that resembles a regular mesh. + @pytest.fixture def model(): @@ -31,35 +33,19 @@ def model(): # This test uses a geometry file that resembles a regular mesh. # 12 tets are used to match each voxel in the geometry. - dimen = 10 - size_hex = 20.0 / dimen + # create a regular mesh that matches the superimposed mesh + regular_mesh = openmc.RegularMesh(mesh_id=10) + regular_mesh.lower_left = (-10, -10, -10) + regular_mesh.dimension = (10, 10, 10) + regular_mesh.width = (2, 2, 2) - cells = np.empty((dimen, dimen, dimen), dtype=object) - surfaces = np.empty((dimen + 1, 3), dtype=object) + root_cell, cells = regular_mesh.build_cells() - geometry = openmc.Geometry() - universe = openmc.Universe(universe_id=1, name="Contains all hexes") + geometry = openmc.Geometry(root=[root_cell]) - for i in range(0,dimen+1): - coord = -dimen + i * size_hex - surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}") - surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}") - surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}") - - surfaces[i][0].boundary_type = 'vacuum' - surfaces[i][1].boundary_type = 'vacuum' - surfaces[i][2].boundary_type = 'vacuum' - - for (k, j, i) in np.ndindex(cells.shape): - cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k))) - cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ - +surfaces[j][1] & -surfaces[j+1][1] & \ - +surfaces[k][2] & -surfaces[k+1][2] - cells[i][j][k].fill = None - - universe.add_cell(cells[i][j][k]) - - geometry = openmc.Geometry(universe) + # set boundary conditions of the root cell + for surface in root_cell.region.get_surfaces().values(): + surface.boundary_type = 'vacuum' ### Settings ### settings = openmc.Settings() @@ -68,10 +54,10 @@ def model(): settings.batches = 2 mesh_filename = "test_mesh_tets.e" - uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh') - n_cells = len(geometry.get_all_cells()) + # subtract one to account for root cell + n_cells = len(geometry.get_all_cells()) - 1 # set source weights according to test case vol_norm = False @@ -87,12 +73,10 @@ def model(): energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) source = openmc.Source(space=space, energy=energy) settings.source = source - return openmc.model.Model(geometry=geometry, materials=materials, settings=settings) - test_cases = [] for i, lib, in enumerate(['libmesh', 'moab']): test_cases.append({'library' : lib, diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index 18c6f3360..223524fdf 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -29,35 +29,19 @@ def model(): # This test uses a geometry file that resembles a regular mesh. # 12 tets are used to match each voxel in the geometry. - dimen = 10 - size_hex = 20.0 / dimen + # create a regular mesh that matches the superimposed mesh + regular_mesh = openmc.RegularMesh(mesh_id=10) + regular_mesh.lower_left = (-10, -10, -10) + regular_mesh.dimension = (10, 10, 10) + regular_mesh.width = (2, 2, 2) - cells = np.empty((dimen, dimen, dimen), dtype=object) - surfaces = np.empty((dimen + 1, 3), dtype=object) + root_cell, cells = regular_mesh.build_cells() - geometry = openmc.Geometry() - universe = openmc.Universe(universe_id=1, name="Contains all hexes") + geometry = openmc.Geometry(root=[root_cell]) - for i in range(0, dimen+1): - coord = -dimen + i * size_hex - surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}") - surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}") - surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}") - - surfaces[i][0].boundary_type = 'vacuum' - surfaces[i][1].boundary_type = 'vacuum' - surfaces[i][2].boundary_type = 'vacuum' - - for (k, j, i) in np.ndindex(cells.shape): - cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k))) - cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \ - +surfaces[j][1] & -surfaces[j+1][1] & \ - +surfaces[k][2] & -surfaces[k+1][2] - cells[i][j][k].fill = None - - universe.add_cell(cells[i][j][k]) - - geometry = openmc.Geometry(universe) + # set boundary conditions of the root cell + for surface in root_cell.region.get_surfaces().values(): + surface.boundary_type = 'vacuum' ### Settings ### settings = openmc.Settings() @@ -69,6 +53,7 @@ def model(): materials=materials, settings=settings) +### Setup test cases ### param_values = (['libmesh', 'moab'], # mesh libraries ['uniform', 'manual']) # Element weighting schemes @@ -78,6 +63,7 @@ for i, (lib, schemes) in enumerate(product(*param_values)): 'source_strengths' : schemes}) def ids(params): + """Test naming function for clarity""" return f"{params['library']}-{params['source_strengths']}" @pytest.mark.parametrize("test_cases", test_cases, ids=ids) @@ -91,10 +77,10 @@ def test_unstructured_mesh_sampling(model, test_cases): # setup mesh source ### mesh_filename = "test_mesh_tets.e" - uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library']) - n_cells = len(model.geometry.get_all_cells()) + # subtract one to account for root cell produced by RegularMesh.build_cells + n_cells = len(model.geometry.get_all_cells()) - 1 # set source weights according to test case if test_cases['source_strengths'] == 'uniform': @@ -115,8 +101,6 @@ def test_unstructured_mesh_sampling(model, test_cases): with cdtemp(['test_mesh_tets.e']): model.export_to_xml() - n_cells = len(model.geometry.get_all_cells()) - n_measurements = 100 n_samples = 1000 @@ -135,7 +119,8 @@ def test_unstructured_mesh_sampling(model, test_cases): cells = [openmc.lib.find_cell(s.r) for s in sites] for c in cells: - cell_counts[c[0]._index, m] += 1 + # subtract one from index to account for root cell + cell_counts[c[0]._index - 1, m] += 1 openmc.lib.finalize() From 7fd2f0d7ff28f21032005ed9c4389bffbfa6f6c0 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 27 Dec 2022 11:50:29 -0600 Subject: [PATCH 21/51] Correcting filepath for test run outside directory --- tests/unit_tests/test_source_mesh.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index 223524fdf..ffc7d73b4 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -1,5 +1,6 @@ from itertools import product +from pathlib import Path import pytest import numpy as np @@ -67,7 +68,7 @@ def ids(params): return f"{params['library']}-{params['source_strengths']}" @pytest.mark.parametrize("test_cases", test_cases, ids=ids) -def test_unstructured_mesh_sampling(model, test_cases): +def test_unstructured_mesh_sampling(model, request, test_cases): # skip the test if the library is not enabled if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") @@ -76,7 +77,7 @@ def test_unstructured_mesh_sampling(model, test_cases): pytest.skip("LibMesh is not enabled in this build.") # setup mesh source ### - mesh_filename = "test_mesh_tets.e" + mesh_filename = Path(request.fspath).parent / "test_mesh_tets.e" uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library']) # subtract one to account for root cell produced by RegularMesh.build_cells @@ -98,7 +99,7 @@ def test_unstructured_mesh_sampling(model, test_cases): source = openmc.Source(space=space, energy=energy) model.settings.source = source - with cdtemp(['test_mesh_tets.e']): + with cdtemp([mesh_filename]): model.export_to_xml() n_measurements = 100 From f001d411eee02ba8a6e7599e9235a2adf25d5421 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 27 Dec 2022 12:21:01 -0600 Subject: [PATCH 22/51] More small improvements to tests --- .../unstructured_mesh/source_sampling/test.py | 37 +++++++++++-------- tests/unit_tests/test_source_mesh.py | 5 ++- 2 files changed, 26 insertions(+), 16 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index d4b445f35..83458e440 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -1,5 +1,6 @@ from itertools import product +from pathlib import Path import pytest import numpy as np @@ -8,14 +9,11 @@ import openmc.lib from tests import cdtemp from tests.testing_harness import PyAPITestHarness -from tests.regression_tests import config -from subprocess import call TETS_PER_VOXEL = 12 -# This test uses a geometry file that resembles a regular mesh. - - +# This test uses a geometry file with cells that match a regular mesh. Each cell +# in the geometry corresponds to 12 tetrahedra in the unstructured mesh file. @pytest.fixture def model(): openmc.reset_auto_ids() @@ -30,16 +28,13 @@ def model(): materials.append(water_mat) ### Geometry ### - # This test uses a geometry file that resembles a regular mesh. - # 12 tets are used to match each voxel in the geometry. - # create a regular mesh that matches the superimposed mesh regular_mesh = openmc.RegularMesh(mesh_id=10) regular_mesh.lower_left = (-10, -10, -10) regular_mesh.dimension = (10, 10, 10) regular_mesh.width = (2, 2, 2) - root_cell, cells = regular_mesh.build_cells() + root_cell, _ = regular_mesh.build_cells() geometry = openmc.Geometry(root=[root_cell]) @@ -59,7 +54,8 @@ def model(): # subtract one to account for root cell n_cells = len(geometry.get_all_cells()) - 1 - # set source weights according to test case + # set source weights manually so the C++ that checks the + # size of the array is executed vol_norm = False strengths = np.zeros(n_cells*TETS_PER_VOXEL) # set non-zero strengths only for the tets corresponding to the @@ -77,18 +73,29 @@ def model(): materials=materials, settings=settings) + test_cases = [] for i, lib, in enumerate(['libmesh', 'moab']): test_cases.append({'library' : lib, 'inputs_true' : 'inputs_true{}.dat'.format(i)}) -def ids(params): - return params['library'] - -@pytest.mark.parametrize("test_cases", test_cases, ids=ids) +@pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library']) def test_unstructured_mesh_sampling(model, test_cases): model.settings.source[0].space.mesh.libaray = test_cases['library'] harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true']) - harness.main() \ No newline at end of file + harness.main() + + +def test_strengths_size_failure(request, model): + mesh_source = model.settings.source[0] + + # make sure that an incorrrectly sized strengths array causes a failure + mesh_source.space.strengths = mesh_source.space.strengths[:-1] + + mesh_filename = Path(request.fspath).parent / mesh_source.space.mesh.filename + + with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]): + model.export_to_xml() + openmc.run() diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index ffc7d73b4..6549734e8 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -13,6 +13,8 @@ from subprocess import call TETS_PER_VOXEL = 12 +# This test uses a geometry file with cells that match a regular mesh. Each cell +# in the geometry corresponds to 12 tetrahedra in the unstructured mesh file. @pytest.fixture def model(): openmc.reset_auto_ids() @@ -36,7 +38,7 @@ def model(): regular_mesh.dimension = (10, 10, 10) regular_mesh.width = (2, 2, 2) - root_cell, cells = regular_mesh.build_cells() + root_cell, _ = regular_mesh.build_cells() geometry = openmc.Geometry(root=[root_cell]) @@ -142,3 +144,4 @@ def test_unstructured_mesh_sampling(model, request, test_cases): diff = np.abs(mean - exp_vals) assert((diff < 2*std_dev).sum() / diff[:10].size >= 0.95) assert((diff < 6*std_dev).sum() / diff.size >= 0.97) + From 60a2a0e1f80a6438e0cbda436effdf9174d4fafc Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 27 Dec 2022 12:21:27 -0600 Subject: [PATCH 23/51] Adding clarity to error message re: improperly sized strengths array --- src/distribution_spatial.cpp | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index 7418b483a..89fef6155 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -204,7 +204,6 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) mesh_CDF_.resize(n_bins+1); mesh_CDF_[0] = {0.0}; total_strength_ = 0.0; - mesh_strengths_.resize(n_bins); // Create cdfs for sampling for an element over a mesh // Volume scheme is weighted by the volume of each tet @@ -212,10 +211,13 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) mesh_strengths_ = std::vector(n_bins, 1.0); if (check_for_node(node, "strengths")) { strengths = get_node_array(node, "strengths"); - if (strengths.size() != mesh_strengths_.size()){ - fatal_error("Number of entries in the strength matrix does not match the number of mesh entities"); + if (strengths.size() != n_bins) { + fatal_error( + fmt::format("Number of entries in the source strengths array {} does " + "not match the number of entities in mesh {} ({}).", + strengths.size(), mesh_id, n_bins)); } - mesh_strengths_ = strengths; + mesh_strengths_ = std::move(strengths); } if (get_node_value_bool(node, "volume_normalized")) { From 251d7f5436d9a85255ea95b85dd844a300bdc367 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 27 Dec 2022 12:40:16 -0600 Subject: [PATCH 24/51] Skip tests if libraries are not enabled --- .../unstructured_mesh/source_sampling/test.py | 6 ++++++ tests/unit_tests/test_source_mesh.py | 1 + 2 files changed, 7 insertions(+) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 83458e440..81f552698 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -81,6 +81,12 @@ for i, lib, in enumerate(['libmesh', 'moab']): @pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library']) def test_unstructured_mesh_sampling(model, test_cases): + # skip the test if the library is not enabled + if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): + pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") + + if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): + pytest.skip("LibMesh is not enabled in this build.") model.settings.source[0].space.mesh.libaray = test_cases['library'] diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index 6549734e8..f093d54d6 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -11,6 +11,7 @@ from tests import cdtemp from tests.regression_tests import config from subprocess import call + TETS_PER_VOXEL = 12 # This test uses a geometry file with cells that match a regular mesh. Each cell From 3779c5cc4dc79816b0c9acf846b705b9efa2e046 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 27 Dec 2022 16:34:58 -0600 Subject: [PATCH 25/51] Skip test in absence of UM support --- .../unstructured_mesh/source_sampling/test.py | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 81f552698..0188af3f1 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -97,6 +97,13 @@ def test_unstructured_mesh_sampling(model, test_cases): def test_strengths_size_failure(request, model): mesh_source = model.settings.source[0] + # skip the test if unstructured mesh is not available + if not openmc.lib._libmesh_enabled(): + if openmc.lib._dagmc_enabled(): + mesh_source.space.mesh.library = 'moab' + else: + pytest.skip("Unstructured mesh support unavailable.") + # make sure that an incorrrectly sized strengths array causes a failure mesh_source.space.strengths = mesh_source.space.strengths[:-1] From c6f0d36bdb0ecdc91a13c7acbc630d4926972792 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 27 Dec 2022 23:06:07 -0600 Subject: [PATCH 26/51] Correcting attribute name --- .../unstructured_mesh/source_sampling/inputs_true1.dat | 2 +- .../regression_tests/unstructured_mesh/source_sampling/test.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat index dcb56d403..9e22063f1 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat @@ -1144,7 +1144,7 @@ 15000000.0 1.0 - + test_mesh_tets.e diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 0188af3f1..e34bf3b75 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -88,7 +88,7 @@ def test_unstructured_mesh_sampling(model, test_cases): if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): pytest.skip("LibMesh is not enabled in this build.") - model.settings.source[0].space.mesh.libaray = test_cases['library'] + model.settings.source[0].space.mesh.library = test_cases['library'] harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true']) harness.main() From 43549cf1f1edb971efba00c593444f71c6539d5c Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 29 Dec 2022 08:15:45 -0600 Subject: [PATCH 27/51] A couple small changes from original PR comments --- openmc/stats/multivariate.py | 5 ++--- src/distribution_spatial.cpp | 4 ++-- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index bff8c301a..799cb9add 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -627,7 +627,7 @@ class MeshSpatial(Spatial): This distribution specifies a mesh to sample over, chooses whether it will be volume normalized, and can set the source strengths. - .. versionadded:: 0.13 + .. versionadded:: 0.13.3 Parameters ---------- @@ -651,8 +651,7 @@ class MeshSpatial(Spatial): Whether or not the strengths will be normalized by volume. """ - def __init__(self, - mesh, strengths=None, volume_normalized=True): + def __init__(self, mesh, strengths=None, volume_normalized=True): self.mesh = mesh self.strengths = strengths self.volume_normalized = volume_normalized diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index 89fef6155..c1e000fcd 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -243,8 +243,8 @@ Position MeshSpatial::sample(uint64_t* seed) const // Create random variable for sampling element from mesh double eta = prn(seed); // Sample over the CDF defined in initialization above - int32_t elem_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); - return mesh_ptr_->sample(seed, elem_bin); + int32_t elem_idx = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); + return mesh_ptr_->sample(seed, elem_idx); } //============================================================================== From 580096d4233f757220558560dd013a4c017fc99f Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 29 Dec 2022 10:39:41 -0600 Subject: [PATCH 28/51] Removing MESHES import --- openmc/stats/multivariate.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index 799cb9add..b491a6843 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -9,7 +9,7 @@ import numpy as np import openmc.checkvalue as cv from .._xml import get_text from .univariate import Univariate, Uniform, PowerLaw -from ..mesh import MeshBase, MESHES +from ..mesh import MeshBase class UnitSphere(ABC): From 8657123baceeb9ac91fe06d991c60db38950e10f Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 30 Dec 2022 07:21:11 -0600 Subject: [PATCH 29/51] Add some documentation for the new MeshSpatial class. --- docs/source/pythonapi/stats.rst | 1 + docs/source/usersguide/settings.rst | 4 +++- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst index fb6383fc7..ffb4fcda2 100644 --- a/docs/source/pythonapi/stats.rst +++ b/docs/source/pythonapi/stats.rst @@ -57,6 +57,7 @@ Spatial Distributions openmc.stats.SphericalIndependent openmc.stats.Box openmc.stats.Point + openmc.stats.MeshSpatial .. autosummary:: :toctree: generated diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst index 336982ac6..19373d26e 100644 --- a/docs/source/usersguide/settings.rst +++ b/docs/source/usersguide/settings.rst @@ -187,7 +187,9 @@ The spatial distribution can be set equal to a sub-class of :class:`openmc.stats.CartesianIndependent`. To independently specify distributions using spherical or cylindrical coordinates, you can use :class:`openmc.stats.SphericalIndependent` or -:class:`openmc.stats.CylindricalIndependent`, respectively. +:class:`openmc.stats.CylindricalIndependent`, respectively. Meshes can also be +used to represent spatial distributions with :class:`openmc.stats.MeshSpatial` +by specifying a mesh and source strengths for each mesh element. The angular distribution can be set equal to a sub-class of :class:`openmc.stats.UnitSphere` such as :class:`openmc.stats.Isotropic`, From 5e2cb6778da11b23579884915fce906d6f06f1c2 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 30 Dec 2022 22:01:11 -0600 Subject: [PATCH 30/51] Adding the mesh spatial option to the IO description --- docs/source/io_formats/settings.rst | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst index 71ca61d54..fc98b662e 100644 --- a/docs/source/io_formats/settings.rst +++ b/docs/source/io_formats/settings.rst @@ -493,7 +493,10 @@ attributes/sub-elements: independent distributions of r-, cos_theta-, and phi-coordinates where cos_theta is the cosine of the angle with respect to the z-axis, phi is the azimuthal angle, and the sphere is centered on the coordinate - (x0,y0,z0). + (x0,y0,z0). A "mesh" spatial distribution source sites from a mesh element + based on the relative strengths provided in the node. Source locations + within an element are sampled isotropically. If no strengths are provided, + the space within the mesh is uniformly sampled. *Default*: None From 219a4b04da32e870301ceabbc0dea45852777c29 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Tue, 3 Jan 2023 10:35:44 -0600 Subject: [PATCH 31/51] Addressing comments from @NybergWISC Co-authored-by: Matthew Nyberg --- openmc/stats/multivariate.py | 17 +++++++++-------- 1 file changed, 9 insertions(+), 8 deletions(-) diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index b491a6843..171ff4b40 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -270,8 +270,6 @@ class Spatial(ABC): return CylindricalIndependent.from_xml_element(elem) elif distribution == 'spherical': return SphericalIndependent.from_xml_element(elem) - elif distribution == 'mesh': - return MeshSpatial.from_xml_element(elem) elif distribution == 'box' or distribution == 'fission': return Box.from_xml_element(elem) elif distribution == 'point': @@ -625,7 +623,7 @@ class MeshSpatial(Spatial): """Spatial distribution for a mesh. This distribution specifies a mesh to sample over, chooses whether it will - be volume normalized, and can set the source strengths. + be adjusted by element volume, and can set the source strengths. .. versionadded:: 0.13.3 @@ -635,10 +633,12 @@ class MeshSpatial(Spatial): The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution strengths : Iterable of Real, optional - A list of values which represent the weights of each element. If no source - strengths are specified, they will be equal for all mesh elements. + A list of values which represent the weights of each element. If no + source strengths are specified, they will be equal for all mesh + elements. volume_normalized : bool, optional - Whether or not the strengths will be normalized by volume. Default is True. + Whether or not the strengths will be multiplied by element volumes at + runtime. Default is True. Attributes ---------- @@ -648,7 +648,8 @@ class MeshSpatial(Spatial): strengths : Iterable of Real, optional A list of values which represent the weights of each element volume_normalized : bool - Whether or not the strengths will be normalized by volume. + Whether or not the strengths will be multiplied by element volumes at + runtime. """ def __init__(self, mesh, strengths=None, volume_normalized=True): @@ -672,7 +673,7 @@ class MeshSpatial(Spatial): @volume_normalized.setter def volume_normalized(self, volume_normalized): - cv.check_type('Normalize (multiply) strengths by volume', volume_normalized, bool) + cv.check_type('Multiply strengths by element volumes', volume_normalized, bool) self._volume_normalized = volume_normalized @property From e873db9a07a79500e6740e3362828c2357fd2731 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 12 Jan 2023 23:13:09 -0600 Subject: [PATCH 32/51] Apply suggestions from @paulromano Co-authored-by: Paul Romano --- docs/source/io_formats/settings.rst | 2 +- include/openmc/distribution_spatial.h | 1 - openmc/source.py | 1 - openmc/stats/multivariate.py | 27 +++++++++---------- src/mesh.cpp | 9 ++----- .../unstructured_mesh/source_sampling/test.py | 16 ++++++----- 6 files changed, 25 insertions(+), 31 deletions(-) diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst index fc98b662e..b97049d38 100644 --- a/docs/source/io_formats/settings.rst +++ b/docs/source/io_formats/settings.rst @@ -493,7 +493,7 @@ attributes/sub-elements: independent distributions of r-, cos_theta-, and phi-coordinates where cos_theta is the cosine of the angle with respect to the z-axis, phi is the azimuthal angle, and the sphere is centered on the coordinate - (x0,y0,z0). A "mesh" spatial distribution source sites from a mesh element + (x0,y0,z0). A "mesh" spatial distribution samples source sites from a mesh element based on the relative strengths provided in the node. Source locations within an element are sampled isotropically. If no strengths are provided, the space within the mesh is uniformly sampled. diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 0be6329f5..ece706759 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -115,7 +115,6 @@ public: private: Mesh* mesh_ptr_ {nullptr}; int32_t mesh_idx_ {C_NONE}; - std::string sample_scheme_; double total_strength_ {0.0}; std::vector mesh_CDF_; std::vector mesh_strengths_; diff --git a/openmc/source.py b/openmc/source.py index 32f8ea3d6..9293a5953 100644 --- a/openmc/source.py +++ b/openmc/source.py @@ -16,7 +16,6 @@ from openmc.checkvalue import PathLike from openmc.stats.multivariate import UnitSphere, Spatial from openmc.stats.univariate import Univariate from ._xml import get_text -from .mesh import MeshBase class Source: diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index 171ff4b40..db13b9bc9 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -619,21 +619,21 @@ class CylindricalIndependent(Spatial): origin = [float(x) for x in elem.get('origin').split()] return cls(r, phi, z, origin=origin) + class MeshSpatial(Spatial): """Spatial distribution for a mesh. - This distribution specifies a mesh to sample over, chooses whether it will - be adjusted by element volume, and can set the source strengths. + This distribution specifies a mesh to sample over with source strengths + specified for each mesh element. .. versionadded:: 0.13.3 Parameters ---------- mesh : openmc.MeshBase - The mesh instance used for sampling, mesh is written into settings.xml, - mesh.id is written into the source distribution - strengths : Iterable of Real, optional - A list of values which represent the weights of each element. If no + The mesh instance used for sampling + strengths : iterable of float, optional + An iterable of values that represents the weights of each element. If no source strengths are specified, they will be equal for all mesh elements. volume_normalized : bool, optional @@ -643,10 +643,9 @@ class MeshSpatial(Spatial): Attributes ---------- mesh : openmc.MeshBase - The mesh instance used for sampling, mesh is written into settings.xml, - mesh.id is written into the source distribution - strengths : Iterable of Real, optional - A list of values which represent the weights of each element + The mesh instance used for sampling + strengths : numpy.ndarray or None + An array of source strengths for each mesh element volume_normalized : bool Whether or not the strengths will be multiplied by element volumes at runtime. @@ -663,8 +662,8 @@ class MeshSpatial(Spatial): @mesh.setter def mesh(self, mesh): - if mesh != None: - cv.check_type('Unstructured Mesh instance', mesh, MeshBase) + if mesh is not None: + cv.check_type('mesh instance', mesh, MeshBase) self._mesh = mesh @property @@ -684,13 +683,13 @@ class MeshSpatial(Spatial): def strengths(self, given_strengths): if given_strengths is not None: cv.check_type('strengths array passed in', given_strengths, Iterable, Real) - self._strengths = np.array(given_strengths, dtype=float).flatten() + self._strengths = np.asarray(given_strengths, dtype=float).flatten() else: self._strengths = None @property def num_strength_bins(self): - if self.strengths == None: + if self.strengths is None: raise ValueError('Strengths are not set') return self.strengths.size diff --git a/src/mesh.cpp b/src/mesh.cpp index abb6f8b8c..2102f953d 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -195,7 +195,6 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node) } } -// Sample barycentric coordinates given a seed and the vertex positions and return the sampled position Position UnstructuredMesh::sample_tet(std::array coords, uint64_t* seed) const { // Uniform distribution double s = prn(seed); @@ -2112,9 +2111,7 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const { tet_verts[i] = {p[i][0], p[i][1], p[i][2]}; } // Samples position within tet using Barycentric stuff - Position r = this->sample_tet(tet_verts, seed); - - return r; + return this->sample_tet(tet_verts, seed); } @@ -2580,9 +2577,7 @@ Position LibMesh::sample(uint64_t* seed, int32_t bin) const { tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)}; } // Samples position within tet using Barycentric coordinates - Position r = this->sample_tet(tet_verts, seed); - - return r; + return this->sample_tet(tet_verts, seed); } Position LibMesh::centroid(int bin) const diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index e34bf3b75..facd0cad5 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -1,15 +1,15 @@ from itertools import product - from pathlib import Path + import pytest import numpy as np - import openmc import openmc.lib from tests import cdtemp from tests.testing_harness import PyAPITestHarness + TETS_PER_VOXEL = 12 # This test uses a geometry file with cells that match a regular mesh. Each cell @@ -60,7 +60,8 @@ def model(): strengths = np.zeros(n_cells*TETS_PER_VOXEL) # set non-zero strengths only for the tets corresponding to the # first two geometric hex cells - strengths[0:TETS_PER_VOXEL] = 10 + strengths[:TETS_PER_VOXEL] = 10 + strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2 # create the spatial distribution based on the mesh @@ -74,10 +75,11 @@ def model(): settings=settings) -test_cases = [] -for i, lib, in enumerate(['libmesh', 'moab']): - test_cases.append({'library' : lib, - 'inputs_true' : 'inputs_true{}.dat'.format(i)}) +test_cases = [ + {'library': lib, 'inputs_true': f'inputs_true{i}.dat'} + for i, lib in enumerate(('libmesh', 'moab')) +] + @pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library']) def test_unstructured_mesh_sampling(model, test_cases): From d4cbcd12fc70cb52625e041c409c22e68d009395 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 12 Jan 2023 23:13:35 -0600 Subject: [PATCH 33/51] Addressing comments from @paulromano's review --- include/openmc/distribution_spatial.h | 1 - include/openmc/mesh.h | 12 ++++++++-- src/distribution_spatial.cpp | 20 ++++++++++++---- src/mesh.cpp | 34 ++++++++++++++++++++------- 4 files changed, 51 insertions(+), 16 deletions(-) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index ece706759..939d055ba 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -113,7 +113,6 @@ public: int32_t n_sources() const { return this->mesh()->n_bins(); } private: - Mesh* mesh_ptr_ {nullptr}; int32_t mesh_idx_ {C_NONE}; double total_strength_ {0.0}; std::vector mesh_CDF_; diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 310320486..73a4f0bb7 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -78,7 +78,8 @@ public: //! Sample a mesh volume using a certain seed // //! \param[in] seed Seed to use for random sampling - //! \param[out] r Position within tet + //! \param[in] bin Bin value of the tet sampled + //! \return sampled position within tet virtual Position sample(uint64_t* seed, int32_t bin) const=0; //! Get the volume of a mesh bin @@ -536,6 +537,8 @@ public: true}; //!< Write tallies onto the unstructured mesh at the end of a run std::string filename_; //!< Path to unstructured mesh file + ElementType element_type(int bin) const; + protected: //! Set the length multiplier to apply to each point in the mesh void set_length_multiplier(const double length_multiplier); @@ -545,7 +548,12 @@ protected: 1.0}; //!< Constant multiplication factor to apply to mesh coordinates bool specified_length_multiplier_ {false}; - //! Sample a tetrahedron for an unstructured mesh + //! Sample barycentric coordinates given a seed and the vertex positions and + //! return the sampled position + // + //! \param[in] coords Coordinates of the tetrahedron + //! \param[in] seed Random number generation seed + //! \return Sampled position within the tetrahedron Position sample_tet(std::array coords, uint64_t* seed) const; private: diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index c1e000fcd..fbe5ce658 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -194,9 +194,19 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) // Get pointer to spatial distribution mesh_idx_ = model::mesh_map.at(mesh_id); - // Check whether mesh pointer points to a mesh - mesh_ptr_ = dynamic_cast(model::meshes[mesh_idx_].get()); - if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); } + auto mesh_ptr = + dynamic_cast(model::meshes.at(mesh_idx_).get()); + if (!mesh_ptr) { + fatal_error("Only unstructured mesh is supported for source sampling."); + } + + // ensure that the unstructured mesh contains only linear tets + for (int bin = 0; bin < mesh_ptr->n_bins(); bin++) { + if (mesh_ptr->element_type(bin) != ElementType::LINEAR_TET) { + fatal_error( + "Mesh specified for source must contain only linear tetrahedra."); + } + } int32_t n_bins = this->n_sources(); std::vector strengths(n_bins, 0.0); @@ -222,7 +232,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) if (get_node_value_bool(node, "volume_normalized")) { for (int i = 0; i < n_bins; i++) { - mesh_strengths_[i] *= mesh_ptr_->volume(i); + mesh_strengths_[i] *= mesh()->volume(i); } } @@ -244,7 +254,7 @@ Position MeshSpatial::sample(uint64_t* seed) const double eta = prn(seed); // Sample over the CDF defined in initialization above int32_t elem_idx = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta); - return mesh_ptr_->sample(seed, elem_idx); + return mesh()->sample(seed, elem_idx); } //============================================================================== diff --git a/src/mesh.cpp b/src/mesh.cpp index 2102f953d..39b5a225e 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -195,14 +195,17 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node) } } -Position UnstructuredMesh::sample_tet(std::array coords, uint64_t* seed) const { +Position UnstructuredMesh::sample_tet( + std::array coords, uint64_t* seed) const +{ // Uniform distribution double s = prn(seed); double t = prn(seed); double u = prn(seed); - // From PyNE implementation of moab tet sampling - // C. Rocchini and P. Cignoni, “Generating Random Points in a Tetrahedron,” + // From PyNE implementation of moab tet sampling C. Rocchini & P. Cignoni + // (2000) Generating Random Points in a Tetrahedron, Journal of Graphics + // Tools, 5:4, 9-12, DOI: 10.1080/10867651.2000.10487528 if (s + t > 1) { s = 1.0 - s; t = 1.0 - t; @@ -222,7 +225,6 @@ Position UnstructuredMesh::sample_tet(std::array coords, uint64_t* + t*(coords[2]-coords[0]) + u*(coords[3]-coords[0]) + coords[0]; - } const std::string UnstructuredMesh::mesh_type = "unstructured"; @@ -313,6 +315,18 @@ void UnstructuredMesh::set_length_multiplier(double length_multiplier) specified_length_multiplier_ = true; } +ElementType UnstructuredMesh::element_type(int bin) const +{ + auto conn = connectivity(bin); + + if (conn.size() == 4) + return ElementType::LINEAR_TET; + else if (conn.size() == 8) + return ElementType::LINEAR_HEX; + else + return ElementType::UNSUPPORTED; +} + StructuredMesh::MeshIndex StructuredMesh::get_indices( Position r, bool& in_mesh) const { @@ -2095,10 +2109,14 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const { moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin); // Get vertex coordinates for MOAB tet - vector conn1; - moab::ErrorCode rval = mbi_->get_connectivity(&tet_ent, 1, conn1); - if (rval != moab::MB_SUCCESS) { - fatal_error("Failed to get tet connectivity"); + std::array conn1; + int conn1_size; + moab::ErrorCode rval = + mbi_->get_connectivity(&tet_ent, 1, conn1.data(), conn1_size); + if (rval != moab::MB_SUCCESS || conn1_size != 4) { + fatal_error(fmt::format( + "Failed to get tet connectivity or connectivity size () is invalid.", + conn1_size)); } moab::CartVect p[4]; rval = mbi_->get_coords(conn1.data(), conn1.size(), p[0].array()); From 4195d1e8ca464aa5435f9376ac70d1ead190d7eb Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 12 Jan 2023 23:18:25 -0600 Subject: [PATCH 34/51] Restoring blank lines in settings.cpp and source.cpp --- src/settings.cpp | 4 ++++ src/source.cpp | 4 ++++ 2 files changed, 8 insertions(+) diff --git a/src/settings.cpp b/src/settings.cpp index c3ecd46b4..310378517 100644 --- a/src/settings.cpp +++ b/src/settings.cpp @@ -371,6 +371,7 @@ void read_settings_xml(pugi::xml_node root) } } } + if (run_mode == RunMode::EIGENVALUE || run_mode == RunMode::FIXED_SOURCE) { // Read run parameters get_run_parameters(node_mode); @@ -434,6 +435,7 @@ void read_settings_xml(pugi::xml_node root) "the OMP_NUM_THREADS environment variable to set the number of " "threads."); } + // ========================================================================== // EXTERNAL SOURCE @@ -462,6 +464,7 @@ void read_settings_xml(pugi::xml_node root) model::external_sources.push_back(make_unique(node)); } } + // Check if the user has specified to read surface source if (check_for_node(root, "surf_source_read")) { surf_source_read = true; @@ -532,6 +535,7 @@ void read_settings_xml(pugi::xml_node root) std::stod(get_node_value(node_cutoff, "energy_positron")); } } + // Particle trace if (check_for_node(root, "trace")) { auto temp = get_node_array(root, "trace"); diff --git a/src/source.cpp b/src/source.cpp index 2fdcc319f..2cb5632b3 100644 --- a/src/source.cpp +++ b/src/source.cpp @@ -111,6 +111,7 @@ IndependentSource::IndependentSource(pugi::xml_node node) // If no spatial distribution specified, make it a point source space_ = UPtrSpace {new SpatialPoint()}; } + // Determine external source angular distribution if (check_for_node(node, "angle")) { // Get pointer to angular distribution @@ -130,9 +131,11 @@ IndependentSource::IndependentSource(pugi::xml_node node) fatal_error(fmt::format( "Invalid angular distribution for external source: {}", type)); } + } else { angle_ = UPtrAngle {new Isotropic()}; } + // Determine external source energy distribution if (check_for_node(node, "energy")) { pugi::xml_node node_dist = node.child("energy"); @@ -141,6 +144,7 @@ IndependentSource::IndependentSource(pugi::xml_node node) // Default to a Watt spectrum with parameters 0.988 MeV and 2.249 MeV^-1 energy_ = UPtrDist {new Watt(0.988e6, 2.249e-6)}; } + // Determine external source time distribution if (check_for_node(node, "time")) { pugi::xml_node node_dist = node.child("time"); From 55138aa144942816ae5bdd457cbfc5194cefa988 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 12 Jan 2023 23:49:31 -0600 Subject: [PATCH 35/51] Picking up an additional suggestion from @paulromano Co-authored-by: Paul Romano --- .../regression_tests/unstructured_mesh/source_sampling/test.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index facd0cad5..7627a68db 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -36,7 +36,7 @@ def model(): root_cell, _ = regular_mesh.build_cells() - geometry = openmc.Geometry(root=[root_cell]) + geometry = openmc.Geometry([root_cell]) # set boundary conditions of the root cell for surface in root_cell.region.get_surfaces().values(): From 4d06ed5640604dd8a6c65bab16f27308cace684e Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 12 Jan 2023 23:51:12 -0600 Subject: [PATCH 36/51] Passing mesh memo through to source from_xml method --- openmc/settings.py | 25 +++++++++++++++---------- 1 file changed, 15 insertions(+), 10 deletions(-) diff --git a/openmc/settings.py b/openmc/settings.py index b8b1ec2b4..129ae2655 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -978,8 +978,8 @@ class Settings: for source in self.source: root.append(source.to_xml_element()) if isinstance(source.space, MeshSpatial): - path = f"./mesh[@id='{source.space.mesh.id}']" - if root.find(path) is None: + path = f"./mesh[@id='{source.space.mesh.id}']" + if root.find(path) is None: root.append(source.space.mesh.to_xml_element()) def _create_volume_calcs_subelement(self, root): @@ -1326,17 +1326,22 @@ class Settings: threshold = float(get_text(elem, 'threshold')) self.keff_trigger = {'type': trigger, 'threshold': threshold} - def _source_from_xml_element(self, root): + def _source_from_xml_element(self, root, meshes=None): for elem in root.findall('source'): src = Source.from_xml_element(elem) if isinstance(src.space, MeshSpatial): mesh_id = int(get_text(elem, 'mesh')) - path = f"./mesh[@id='{mesh_id}']" - mesh_elem = root.find(path) - if mesh_elem is not None: - src.space.mesh = MeshBase.from_xml_element(mesh_elem) - else: - raise RuntimeError('No mesh was specified for the mesh source') + if mesh_id not in meshes: + path = f"./mesh[@id='{mesh_id}']" + mesh_elem = root.find(path) + if mesh_elem is not None: + mesh = MeshBase.from_xml_element(mesh_elem) + meshes[mesh.id] = mesh + try: + src.space.mesh = meshes[mesh_id] + except KeyError as e: + raise e(f'Mesh with ID {mesh_id} was not found.') + # add newly constructed source object to the list self.source.append(src) def _volume_calcs_from_xml_element(self, root): @@ -1710,7 +1715,7 @@ class Settings: settings._rel_max_lost_particles_from_xml_element(elem) settings._generations_per_batch_from_xml_element(elem) settings._keff_trigger_from_xml_element(elem) - settings._source_from_xml_element(elem) + settings._source_from_xml_element(elem, meshes) settings._volume_calcs_from_xml_element(elem) settings._output_from_xml_element(elem) settings._statepoint_from_xml_element(elem) From 4675ff0231739849f27019afc2e866cce0e83f87 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 12 Jan 2023 23:52:34 -0600 Subject: [PATCH 37/51] Correcting MOAB call args --- src/mesh.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/mesh.cpp b/src/mesh.cpp index 39b5a225e..ffe239015 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -2109,17 +2109,17 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const { moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin); // Get vertex coordinates for MOAB tet - std::array conn1; + const moab::EntityHandle* conn1; int conn1_size; moab::ErrorCode rval = - mbi_->get_connectivity(&tet_ent, 1, conn1.data(), conn1_size); + mbi_->get_connectivity(tet_ent, conn1, conn1_size); if (rval != moab::MB_SUCCESS || conn1_size != 4) { fatal_error(fmt::format( - "Failed to get tet connectivity or connectivity size () is invalid.", + "Failed to get tet connectivity or connectivity size ({}) is invalid.", conn1_size)); } moab::CartVect p[4]; - rval = mbi_->get_coords(conn1.data(), conn1.size(), p[0].array()); + rval = mbi_->get_coords(conn1, conn1_size, p[0].array()); if (rval != moab::MB_SUCCESS) { fatal_error("Failed to get tet coords"); } From 6f0c6f52962cb37f5ec1420c1537f868630297f7 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Thu, 12 Jan 2023 23:52:57 -0600 Subject: [PATCH 38/51] Applying suggestions for tests from @paulromano. --- .../unstructured_mesh/source_sampling/test.py | 8 ++------ tests/unit_tests/test_source_mesh.py | 8 ++------ 2 files changed, 4 insertions(+), 12 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 7627a68db..35b3be63e 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -21,7 +21,7 @@ def model(): ### Materials ### materials = openmc.Materials() - water_mat = openmc.Material(material_id=3, name="water") + water_mat = openmc.Material(name="water") water_mat.add_nuclide("H1", 2.0) water_mat.add_nuclide("O16", 1.0) water_mat.set_density("atom/b-cm", 0.07416) @@ -34,14 +34,10 @@ def model(): regular_mesh.dimension = (10, 10, 10) regular_mesh.width = (2, 2, 2) - root_cell, _ = regular_mesh.build_cells() + root_cell, _ = regular_mesh.build_cells(bc=['vacuum']*6) geometry = openmc.Geometry([root_cell]) - # set boundary conditions of the root cell - for surface in root_cell.region.get_surfaces().values(): - surface.boundary_type = 'vacuum' - ### Settings ### settings = openmc.Settings() settings.run_mode = 'fixed source' diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index f093d54d6..34f84f450 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -23,7 +23,7 @@ def model(): ### Materials ### materials = openmc.Materials() - water_mat = openmc.Material(material_id=3, name="water") + water_mat = openmc.Material(name="water") water_mat.add_nuclide("H1", 2.0) water_mat.add_nuclide("O16", 1.0) water_mat.set_density("atom/b-cm", 0.07416) @@ -39,14 +39,10 @@ def model(): regular_mesh.dimension = (10, 10, 10) regular_mesh.width = (2, 2, 2) - root_cell, _ = regular_mesh.build_cells() + root_cell, _ = regular_mesh.build_cells(bc=['vacuum']*6) geometry = openmc.Geometry(root=[root_cell]) - # set boundary conditions of the root cell - for surface in root_cell.region.get_surfaces().values(): - surface.boundary_type = 'vacuum' - ### Settings ### settings = openmc.Settings() settings.run_mode = 'fixed source' From d0988327fef653bb09b4152640d099206e55f482 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 13 Jan 2023 00:00:16 -0600 Subject: [PATCH 39/51] Applying formatter --- include/openmc/distribution_spatial.h | 2 +- include/openmc/mesh.h | 19 ++++---- src/distribution_spatial.cpp | 38 ++++++++------- src/initialize.cpp | 22 +++++---- src/mesh.cpp | 66 +++++++++++++++------------ src/settings.cpp | 3 +- src/source.cpp | 2 +- 7 files changed, 86 insertions(+), 66 deletions(-) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 939d055ba..78fb316db 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -4,8 +4,8 @@ #include "pugixml.hpp" #include "openmc/distribution.h" -#include "openmc/position.h" #include "openmc/mesh.h" +#include "openmc/position.h" namespace openmc { diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h index 73a4f0bb7..7abc8a832 100644 --- a/include/openmc/mesh.h +++ b/include/openmc/mesh.h @@ -7,8 +7,8 @@ #include #include "hdf5.h" -#include "xtensor/xtensor.hpp" #include "pugixml.hpp" +#include "xtensor/xtensor.hpp" #include "openmc/memory.h" // for unique_ptr #include "openmc/particle.h" @@ -41,7 +41,7 @@ namespace openmc { // Constants //============================================================================== -enum class ElementType { UNSUPPORTED=-1, LINEAR_TET, LINEAR_HEX }; +enum class ElementType { UNSUPPORTED = -1, LINEAR_TET, LINEAR_HEX }; //============================================================================== // Global variables @@ -80,7 +80,7 @@ public: //! \param[in] seed Seed to use for random sampling //! \param[in] bin Bin value of the tet sampled //! \return sampled position within tet - virtual Position sample(uint64_t* seed, int32_t bin) const=0; + virtual Position sample(uint64_t* seed, int32_t bin) const = 0; //! Get the volume of a mesh bin // @@ -713,7 +713,7 @@ private: std::pair get_score_tags(std::string score) const; // Data members - moab::Range ehs_; //!< Range of tetrahedra EntityHandle's in the mesh + moab::Range ehs_; //!< Range of tetrahedra EntityHandle's in the mesh moab::Range verts_; //!< Range of vertex EntityHandle's in the mesh moab::EntityHandle tetset_; //!< EntitySet containing all tetrahedra moab::EntityHandle kdtree_root_; //!< Root of the MOAB KDTree @@ -731,8 +731,8 @@ class LibMesh : public UnstructuredMesh { public: // Constructors LibMesh(pugi::xml_node node); - LibMesh(const std::string & filename, double length_multiplier = 1.0); - LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier = 1.0); + LibMesh(const std::string& filename, double length_multiplier = 1.0); + LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier = 1.0); static const std::string mesh_lib_type; @@ -787,8 +787,11 @@ private: int get_bin_from_element(const libMesh::Elem* elem) const; // Data members - unique_ptr unique_m_ = nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC - libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set during intialization + unique_ptr unique_m_ = + nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is + //!< created inside OpenMC + libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set + //!< during intialization vector> pl_; //!< per-thread point locators unique_ptr diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp index fbe5ce658..fb1fbf099 100644 --- a/src/distribution_spatial.cpp +++ b/src/distribution_spatial.cpp @@ -1,10 +1,10 @@ #include "openmc/distribution_spatial.h" #include "openmc/error.h" -#include "openmc/random_lcg.h" -#include "openmc/xml_interface.h" #include "openmc/mesh.h" +#include "openmc/random_lcg.h" #include "openmc/search.h" +#include "openmc/xml_interface.h" namespace openmc { @@ -139,7 +139,8 @@ SphericalIndependent::SphericalIndependent(pugi::xml_node node) pugi::xml_node node_dist = node.child("cos_theta"); cos_theta_ = distribution_from_xml(node_dist); } else { - // If no distribution was specified, default to a single point at cos_theta=0 + // If no distribution was specified, default to a single point at + // cos_theta=0 double x[] {0.0}; double p[] {1.0}; cos_theta_ = make_unique(x, p, 1); @@ -188,8 +189,8 @@ Position SphericalIndependent::sample(uint64_t* seed) const MeshSpatial::MeshSpatial(pugi::xml_node node) { - // No in-tet distributions implemented, could include distributions for the barycentric coords - // Read in unstructured mesh from mesh_id value + // No in-tet distributions implemented, could include distributions for the + // barycentric coords Read in unstructured mesh from mesh_id value int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id")); // Get pointer to spatial distribution mesh_idx_ = model::mesh_map.at(mesh_id); @@ -211,7 +212,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) int32_t n_bins = this->n_sources(); std::vector strengths(n_bins, 0.0); - mesh_CDF_.resize(n_bins+1); + mesh_CDF_.resize(n_bins + 1); mesh_CDF_[0] = {0.0}; total_strength_ = 0.0; @@ -220,14 +221,14 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) // File scheme is weighted by an array given in the xml file mesh_strengths_ = std::vector(n_bins, 1.0); if (check_for_node(node, "strengths")) { - strengths = get_node_array(node, "strengths"); - if (strengths.size() != n_bins) { - fatal_error( - fmt::format("Number of entries in the source strengths array {} does " - "not match the number of entities in mesh {} ({}).", - strengths.size(), mesh_id, n_bins)); - } - mesh_strengths_ = std::move(strengths); + strengths = get_node_array(node, "strengths"); + if (strengths.size() != n_bins) { + fatal_error( + fmt::format("Number of entries in the source strengths array {} does " + "not match the number of entities in mesh {} ({}).", + strengths.size(), mesh_id, n_bins)); + } + mesh_strengths_ = std::move(strengths); } if (get_node_value_bool(node, "volume_normalized")) { @@ -236,14 +237,17 @@ MeshSpatial::MeshSpatial(pugi::xml_node node) } } - total_strength_ = std::accumulate(mesh_strengths_.begin(), mesh_strengths_.end(), 0.0); + total_strength_ = + std::accumulate(mesh_strengths_.begin(), mesh_strengths_.end(), 0.0); for (int i = 0; i < n_bins; i++) { - mesh_CDF_[i+1] = mesh_CDF_[i] + mesh_strengths_[i]/total_strength_; + mesh_CDF_[i + 1] = mesh_CDF_[i] + mesh_strengths_[i] / total_strength_; } if (fabs(mesh_CDF_.back() - 1.0) > FP_COINCIDENT) { - fatal_error(fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}", mesh_CDF_.back())); + fatal_error( + fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}", + mesh_CDF_.back())); } mesh_CDF_.back() = 1.0; } diff --git a/src/initialize.cpp b/src/initialize.cpp index 913e0b1a9..6383af64e 100644 --- a/src/initialize.cpp +++ b/src/initialize.cpp @@ -106,7 +106,8 @@ int openmc_init(int argc, char* argv[], const void* intracomm) openmc::openmc_set_seed(DEFAULT_SEED); // Read XML input files - if (!read_model_xml()) read_separate_xml_files(); + if (!read_model_xml()) + read_separate_xml_files(); // Write some initial output under the header if needed initial_output(); @@ -299,7 +300,8 @@ int parse_command_line(int argc, char* argv[]) return 0; } -bool read_model_xml() { +bool read_model_xml() +{ std::string model_filename = settings::path_input.empty() ? "." : settings::path_input; @@ -314,7 +316,8 @@ bool read_model_xml() { model_filename += "/model.xml"; // if this file doesn't exist, stop here - if (!file_exists(model_filename)) return false; + if (!file_exists(model_filename)) + return false; // try to process the path input as an XML file pugi::xml_document doc; @@ -327,7 +330,7 @@ bool read_model_xml() { // Read settings if (!check_for_node(root, "settings")) { - fatal_error("No node present in the model.xml file."); + fatal_error("No node present in the model.xml file."); } auto settings_root = root.child("settings"); @@ -343,13 +346,15 @@ bool read_model_xml() { title(); } - write_message(fmt::format("Reading model XML file '{}' ...", model_filename), 5); + write_message( + fmt::format("Reading model XML file '{}' ...", model_filename), 5); read_settings_xml(settings_root); // If other XML files are present, display warning // that they will be ignored - auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"}; + auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", + "tallies.xml", "plots.xml"}; for (const auto& input : other_inputs) { if (file_exists(settings::path_input + input)) { warning((fmt::format("Other XML file input(s) are present. These files " @@ -384,7 +389,7 @@ bool read_model_xml() { if (check_for_node(root, "tallies")) read_tallies_xml(root.child("tallies")); - // Initialize distribcell_filters + // Initialize distribcell_filters prepare_distribcell(); if (check_for_node(root, "plots")) @@ -415,7 +420,8 @@ void read_separate_xml_files() read_plots_xml(); } -void initial_output() { +void initial_output() +{ // write initial output if (settings::run_mode == RunMode::PLOTTING) { // Read plots.xml if it exists diff --git a/src/mesh.cpp b/src/mesh.cpp index ffe239015..121ca1f8a 100644 --- a/src/mesh.cpp +++ b/src/mesh.cpp @@ -207,24 +207,22 @@ Position UnstructuredMesh::sample_tet( // (2000) Generating Random Points in a Tetrahedron, Journal of Graphics // Tools, 5:4, 9-12, DOI: 10.1080/10867651.2000.10487528 if (s + t > 1) { - s = 1.0 - s; - t = 1.0 - t; + s = 1.0 - s; + t = 1.0 - t; } if (s + t + u > 1) { if (t + u > 1) { double old_t = t; t = 1.0 - u; u = 1.0 - s - old_t; - }else if (t + u <= 1) { + } else if (t + u <= 1) { double old_s = s; s = 1.0 - t - u; u = old_s + t + u - 1; } } - return s*(coords[1]-coords[0]) - + t*(coords[2]-coords[0]) - + u*(coords[3]-coords[0]) - + coords[0]; + return s * (coords[1] - coords[0]) + t * (coords[2] - coords[0]) + + u * (coords[3] - coords[0]) + coords[0]; } const std::string UnstructuredMesh::mesh_type = "unstructured"; @@ -268,8 +266,8 @@ void UnstructuredMesh::to_hdf5(hid_t group) const // write element types and connectivity vector volumes; - xt::xtensor connectivity ({static_cast(this->n_bins()), 8}); - xt::xtensor elem_types ({static_cast(this->n_bins()), 1}); + xt::xtensor connectivity({static_cast(this->n_bins()), 8}); + xt::xtensor elem_types({static_cast(this->n_bins()), 1}); for (int i = 0; i < this->n_bins(); i++) { auto conn = this->connectivity(i); @@ -277,17 +275,20 @@ void UnstructuredMesh::to_hdf5(hid_t group) const // write linear tet element if (conn.size() == 4) { - xt::view(elem_types, i, xt::all()) = static_cast(ElementType::LINEAR_TET); - xt::view(connectivity, i, xt::all()) = xt::xarray({conn[0], conn[1], conn[2], conn[3], - -1, -1, -1, -1}); - // write linear hex element + xt::view(elem_types, i, xt::all()) = + static_cast(ElementType::LINEAR_TET); + xt::view(connectivity, i, xt::all()) = + xt::xarray({conn[0], conn[1], conn[2], conn[3], -1, -1, -1, -1}); + // write linear hex element } else if (conn.size() == 8) { - xt::view(elem_types, i, xt::all()) = static_cast(ElementType::LINEAR_HEX); - xt::view(connectivity, i, xt::all()) = xt::xarray({conn[0], conn[1], conn[2], conn[3], - conn[4], conn[5], conn[6], conn[7]}); + xt::view(elem_types, i, xt::all()) = + static_cast(ElementType::LINEAR_HEX); + xt::view(connectivity, i, xt::all()) = xt::xarray({conn[0], conn[1], + conn[2], conn[3], conn[4], conn[5], conn[6], conn[7]}); } else { num_elem_skipped++; - xt::view(elem_types, i, xt::all()) = static_cast(ElementType::UNSUPPORTED); + xt::view(elem_types, i, xt::all()) = + static_cast(ElementType::UNSUPPORTED); xt::view(connectivity, i, xt::all()) = -1; } } @@ -1873,7 +1874,6 @@ void MOABMesh::initialize() fatal_error("Failed to get all vertex handles"); } - // make an entity set for all tetrahedra // this is used for convenience later in output rval = mbi_->create_meshset(moab::MESHSET_SET, tetset_); @@ -2104,15 +2104,15 @@ std::string MOABMesh::library() const } // Sample position within a tet for MOAB type tets -Position MOABMesh::sample(uint64_t* seed, int32_t bin) const { +Position MOABMesh::sample(uint64_t* seed, int32_t bin) const +{ moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin); // Get vertex coordinates for MOAB tet const moab::EntityHandle* conn1; int conn1_size; - moab::ErrorCode rval = - mbi_->get_connectivity(tet_ent, conn1, conn1_size); + moab::ErrorCode rval = mbi_->get_connectivity(tet_ent, conn1, conn1_size); if (rval != moab::MB_SUCCESS || conn1_size != 4) { fatal_error(fmt::format( "Failed to get tet connectivity or connectivity size ({}) is invalid.", @@ -2132,7 +2132,6 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const { return this->sample_tet(tet_verts, seed); } - double MOABMesh::tet_volume(moab::EntityHandle tet) const { vector conn; @@ -2253,10 +2252,12 @@ std::pair, vector> MOABMesh::plot( return {}; } -int MOABMesh::get_vert_idx_from_handle(moab::EntityHandle vert) const { +int MOABMesh::get_vert_idx_from_handle(moab::EntityHandle vert) const +{ int idx = vert - verts_[0]; if (idx >= n_vertices()) { - fatal_error(fmt::format("Invalid vertex idx {} (# vertices {})", idx, n_vertices())); + fatal_error( + fmt::format("Invalid vertex idx {} (# vertices {})", idx, n_vertices())); } return idx; } @@ -2328,11 +2329,13 @@ Position MOABMesh::centroid(int bin) const return {centroid[0], centroid[1], centroid[2]}; } -int MOABMesh::n_vertices() const { +int MOABMesh::n_vertices() const +{ return verts_.size(); } -Position MOABMesh::vertex(int id) const { +Position MOABMesh::vertex(int id) const +{ moab::ErrorCode rval; @@ -2347,7 +2350,8 @@ Position MOABMesh::vertex(int id) const { return {coords[0], coords[1], coords[2]}; } -std::vector MOABMesh::connectivity(int bin) const { +std::vector MOABMesh::connectivity(int bin) const +{ moab::ErrorCode rval; auto tet = get_ent_handle_from_bin(bin); @@ -2501,14 +2505,15 @@ const std::string LibMesh::mesh_lib_type = "libmesh"; LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node) { - // filename_ and length_multiplier_ will already be set by the UnstructuredMesh constructor + // filename_ and length_multiplier_ will already be set by the + // UnstructuredMesh constructor set_mesh_pointer_from_filename(filename_); set_length_multiplier(length_multiplier_); initialize(); } // create the mesh from a pointer to a libMesh Mesh -LibMesh::LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier) +LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier) { m_ = &input_mesh; set_length_multiplier(length_multiplier); @@ -2586,7 +2591,8 @@ void LibMesh::initialize() } // Sample position within a tet for LibMesh type tets -Position LibMesh::sample(uint64_t* seed, int32_t bin) const { +Position LibMesh::sample(uint64_t* seed, int32_t bin) const +{ const auto& elem = get_element_from_bin(bin); // Get tet vertex coordinates from LibMesh std::array tet_verts; diff --git a/src/settings.cpp b/src/settings.cpp index 310378517..1eceb5b3d 100644 --- a/src/settings.cpp +++ b/src/settings.cpp @@ -214,7 +214,8 @@ void get_run_parameters(pugi::xml_node node_base) } } -void read_settings_xml() { +void read_settings_xml() +{ using namespace settings; using namespace pugi; // Check if settings.xml exists diff --git a/src/source.cpp b/src/source.cpp index 2cb5632b3..5862a41e2 100644 --- a/src/source.cpp +++ b/src/source.cpp @@ -94,7 +94,7 @@ IndependentSource::IndependentSource(pugi::xml_node node) space_ = UPtrSpace {new CylindricalIndependent(node_space)}; } else if (type == "spherical") { space_ = UPtrSpace {new SphericalIndependent(node_space)}; - } else if (type =="mesh"){ + } else if (type == "mesh") { space_ = UPtrSpace {new MeshSpatial(node_space)}; } else if (type == "box") { space_ = UPtrSpace {new SpatialBox(node_space)}; From 124839796eeb9e17188423c631a2c672abd0bf39 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 13 Jan 2023 00:04:22 -0600 Subject: [PATCH 40/51] Updating test inputs for auto-generated material ID. --- .../unstructured_mesh/source_sampling/inputs_true0.dat | 2 +- .../unstructured_mesh/source_sampling/inputs_true1.dat | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat index dcb56d403..e50fc71ac 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat @@ -1125,7 +1125,7 @@ - + diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat index 9e22063f1..b416ffb34 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat @@ -1125,7 +1125,7 @@ - + From f92515d6f2152b4a04e75c911a03abcd23ffb598 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 13 Jan 2023 08:45:48 -0600 Subject: [PATCH 41/51] Correcting sampling unit test --- tests/unit_tests/test_source_mesh.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index 34f84f450..d50e85e3f 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -139,6 +139,6 @@ def test_unstructured_mesh_sampling(model, request, test_cases): exp_vals = strengths.reshape(-1, 12).sum(axis=1) / sum(strengths) diff = np.abs(mean - exp_vals) - assert((diff < 2*std_dev).sum() / diff[:10].size >= 0.95) - assert((diff < 6*std_dev).sum() / diff.size >= 0.97) + assert((diff < 2*std_dev).sum() / diff.size >= 0.95) + assert((diff < 6*std_dev).sum() / diff.size >= 0.997) From ff9b5fd74141b0f24676136f5ebec7a69f347ac1 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 13 Jan 2023 10:24:05 -0600 Subject: [PATCH 42/51] Adding not about moving the mesh cdf in the future. --- include/openmc/distribution_spatial.h | 2 ++ 1 file changed, 2 insertions(+) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 78fb316db..8840b0539 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -115,6 +115,8 @@ public: private: int32_t mesh_idx_ {C_NONE}; double total_strength_ {0.0}; + // TODO: move to an independent class in the future that's similar + // to a discrete distribution without outcomes std::vector mesh_CDF_; std::vector mesh_strengths_; }; From 9313f809a471f4b7050057f1179e42252089cb22 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 13 Jan 2023 10:34:30 -0600 Subject: [PATCH 43/51] Adding a tally to the unstructured mesh regression test. --- .../source_sampling/inputs_true0.dat | 15 + .../source_sampling/inputs_true1.dat | 15 + .../source_sampling/results_true.dat | 2001 +++++++++++++++++ .../unstructured_mesh/source_sampling/test.py | 11 +- 4 files changed, 2041 insertions(+), 1 deletion(-) diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat index e50fc71ac..986d80054 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat @@ -1148,3 +1148,18 @@ test_mesh_tets.e + + + + 10 10 10 + -10 -10 -10 + 2 2 2 + + + 10 + + + 1 + flux + + diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat index b416ffb34..38d5aa497 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat @@ -1148,3 +1148,18 @@ test_mesh_tets.e + + + + 10 10 10 + -10 -10 -10 + 2 2 2 + + + 10 + + + 1 + flux + + diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat b/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat index e69de29bb..2a4e11d06 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat +++ b/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat @@ -0,0 +1,2001 @@ +tally 1: +1.593417E+00 +1.270534E+00 +6.435684E-01 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+0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +0.000000E+00 +6.140183E-03 +3.770184E-05 diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py index 35b3be63e..d6f16315a 100644 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py @@ -38,6 +38,14 @@ def model(): geometry = openmc.Geometry([root_cell]) + ### Tallies ### + + # create a mesh flux tally + tally = openmc.Tally() + tally.filters.append(openmc.MeshFilter(regular_mesh)) + tally.scores = ['flux'] + tallies = openmc.Tallies([tally]) + ### Settings ### settings = openmc.Settings() settings.run_mode = 'fixed source' @@ -68,7 +76,8 @@ def model(): settings.source = source return openmc.model.Model(geometry=geometry, materials=materials, - settings=settings) + settings=settings, + tallies=tallies) test_cases = [ From beb3085469581fb7d6954f82f1442c7efcf74518 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 13 Jan 2023 12:24:24 -0600 Subject: [PATCH 44/51] Changing to const Mesh* --- include/openmc/distribution_spatial.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h index 8840b0539..dda23927e 100644 --- a/include/openmc/distribution_spatial.h +++ b/include/openmc/distribution_spatial.h @@ -108,7 +108,7 @@ public: //! \return Sampled position Position sample(uint64_t* seed) const; - const unique_ptr& mesh() const { return model::meshes.at(mesh_idx_); } + const Mesh* mesh() const { return model::meshes.at(mesh_idx_).get(); } int32_t n_sources() const { return this->mesh()->n_bins(); } From cd7ad7de7a86c6e4996ae8dec1f74ccd17834116 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Wed, 18 Jan 2023 11:10:33 -0600 Subject: [PATCH 45/51] Adding failure check to mesh source unit test. --- tests/unit_tests/test_source_mesh.py | 34 ++++++++++++++++++++++++++++ 1 file changed, 34 insertions(+) diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index d50e85e3f..dc4cbf06c 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -122,6 +122,8 @@ def test_unstructured_mesh_sampling(model, request, test_cases): # subtract one from index to account for root cell cell_counts[c[0]._index - 1, m] += 1 + # make sure particle transport is successful + openmc.lib.run() openmc.lib.finalize() # normalize cell counts to get sampling frequency per particle @@ -142,3 +144,35 @@ def test_unstructured_mesh_sampling(model, request, test_cases): assert((diff < 2*std_dev).sum() / diff.size >= 0.95) assert((diff < 6*std_dev).sum() / diff.size >= 0.997) + +def test_strengths_size_failure(request, model): + # setup mesh source ### + mesh_filename = Path(request.fspath).parent / "test_mesh_tets.e" + uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh') + + # intentionally incorrectly sized to trigger an error + n_cells = len(model.geometry.get_all_cells()) + strengths = np.random.rand(n_cells*TETS_PER_VOXEL) + + # create the spatial distribution based on the mesh + space = openmc.stats.MeshSpatial(uscd_mesh, strengths) + + energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) + source = openmc.Source(space=space, energy=energy) + model.settings.source = source + + # skip the test if unstructured mesh is not available + if not openmc.lib._libmesh_enabled(): + if openmc.lib._dagmc_enabled(): + source.space.mesh.library = 'moab' + else: + pytest.skip("Unstructured mesh support unavailable.") + + # make sure that an incorrrectly sized strengths array causes a failure + source.space.strengths = source.space.strengths[:-1] + + mesh_filename = Path(request.fspath).parent / source.space.mesh.filename + + with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]): + model.export_to_xml() + openmc.run() \ No newline at end of file From de8f99adbebe4303e102b7a4c6bacde9fcdab525 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Wed, 18 Jan 2023 11:12:10 -0600 Subject: [PATCH 46/51] Removing unstructured mesh source sampling test. The test cases here almost entirely overlapped with those in the unit test. The test for an invalid size on the strengths array has been moved to the test_mesh_source.py unit test. --- .../source_sampling/__init__.py | 0 .../source_sampling/inputs_true0.dat | 1165 ---------- .../source_sampling/inputs_true1.dat | 1165 ---------- .../source_sampling/results_true.dat | 2001 ----------------- .../unstructured_mesh/source_sampling/test.py | 121 - .../source_sampling/test_mesh_tets.e | 1 - 6 files changed, 4453 deletions(-) delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/__init__.py delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/test.py delete mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py b/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py deleted file mode 100644 index e69de29bb..000000000 diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat deleted file mode 100644 index 986d80054..000000000 --- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat +++ /dev/null @@ -1,1165 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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b/tests/regression_tests/unstructured_mesh/source_sampling/test.py deleted file mode 100644 index d6f16315a..000000000 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py +++ /dev/null @@ -1,121 +0,0 @@ -from itertools import product -from pathlib import Path - -import pytest -import numpy as np -import openmc -import openmc.lib - -from tests import cdtemp -from tests.testing_harness import PyAPITestHarness - - -TETS_PER_VOXEL = 12 - -# This test uses a geometry file with cells that match a regular mesh. Each cell -# in the geometry corresponds to 12 tetrahedra in the unstructured mesh file. -@pytest.fixture -def model(): - openmc.reset_auto_ids() - - ### Materials ### - materials = openmc.Materials() - - water_mat = openmc.Material(name="water") - water_mat.add_nuclide("H1", 2.0) - water_mat.add_nuclide("O16", 1.0) - water_mat.set_density("atom/b-cm", 0.07416) - materials.append(water_mat) - - ### Geometry ### - # create a regular mesh that matches the superimposed mesh - regular_mesh = openmc.RegularMesh(mesh_id=10) - regular_mesh.lower_left = (-10, -10, -10) - regular_mesh.dimension = (10, 10, 10) - regular_mesh.width = (2, 2, 2) - - root_cell, _ = regular_mesh.build_cells(bc=['vacuum']*6) - - geometry = openmc.Geometry([root_cell]) - - ### Tallies ### - - # create a mesh flux tally - tally = openmc.Tally() - tally.filters.append(openmc.MeshFilter(regular_mesh)) - tally.scores = ['flux'] - tallies = openmc.Tallies([tally]) - - ### Settings ### - settings = openmc.Settings() - settings.run_mode = 'fixed source' - settings.particles = 100 - settings.batches = 2 - - mesh_filename = "test_mesh_tets.e" - uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh') - - # subtract one to account for root cell - n_cells = len(geometry.get_all_cells()) - 1 - - # set source weights manually so the C++ that checks the - # size of the array is executed - vol_norm = False - strengths = np.zeros(n_cells*TETS_PER_VOXEL) - # set non-zero strengths only for the tets corresponding to the - # first two geometric hex cells - strengths[:TETS_PER_VOXEL] = 10 - - strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2 - - # create the spatial distribution based on the mesh - space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm) - - energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0]) - source = openmc.Source(space=space, energy=energy) - settings.source = source - return openmc.model.Model(geometry=geometry, - materials=materials, - settings=settings, - tallies=tallies) - - -test_cases = [ - {'library': lib, 'inputs_true': f'inputs_true{i}.dat'} - for i, lib in enumerate(('libmesh', 'moab')) -] - - -@pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library']) -def test_unstructured_mesh_sampling(model, test_cases): - # skip the test if the library is not enabled - if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled(): - pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.") - - if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled(): - pytest.skip("LibMesh is not enabled in this build.") - - model.settings.source[0].space.mesh.library = test_cases['library'] - - harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true']) - harness.main() - - -def test_strengths_size_failure(request, model): - mesh_source = model.settings.source[0] - - # skip the test if unstructured mesh is not available - if not openmc.lib._libmesh_enabled(): - if openmc.lib._dagmc_enabled(): - mesh_source.space.mesh.library = 'moab' - else: - pytest.skip("Unstructured mesh support unavailable.") - - # make sure that an incorrrectly sized strengths array causes a failure - mesh_source.space.strengths = mesh_source.space.strengths[:-1] - - mesh_filename = Path(request.fspath).parent / mesh_source.space.mesh.filename - - with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]): - model.export_to_xml() - openmc.run() diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e deleted file mode 120000 index 0aa0d1a23..000000000 --- a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e +++ /dev/null @@ -1 +0,0 @@ -../test_mesh_tets.e \ No newline at end of file From cf8cd62961bbb8b6de52f4e944d725c90072ab05 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 3 Feb 2023 19:32:41 -0600 Subject: [PATCH 47/51] Update tests/unit_tests/test_source_mesh.py Co-authored-by: Paul Romano --- tests/unit_tests/test_source_mesh.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index dc4cbf06c..e6074cb23 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -1,15 +1,14 @@ from itertools import product - from pathlib import Path +from subprocess import call + import pytest import numpy as np - import openmc import openmc.lib from tests import cdtemp from tests.regression_tests import config -from subprocess import call TETS_PER_VOXEL = 12 From fc67b38ba4ee4895529bbfce1ad94e4bdc7adeed Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 3 Feb 2023 20:11:25 -0600 Subject: [PATCH 48/51] Adding roundtrip test for mesh sampling --- openmc/mesh.py | 13 +++++++++++ openmc/settings.py | 19 ++++------------ openmc/source.py | 7 ++++-- openmc/stats/multivariate.py | 19 +++++++++------- tests/unit_tests/test_source_mesh.py | 34 ++++++++++++++++++++++++---- 5 files changed, 63 insertions(+), 29 deletions(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index e314aab3e..a3452b846 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -1,5 +1,6 @@ from abc import ABC, abstractmethod from collections.abc import Iterable +from collections import OrderedDict from math import pi from numbers import Real, Integral from pathlib import Path @@ -1937,3 +1938,15 @@ class UnstructuredMesh(MeshBase): length_multiplier = float(get_text(elem, 'length_multiplier', 1.0)) return cls(filename, library, mesh_id, '', length_multiplier) + + +def read_meshes(tree): + """Reads all mesh nodes under an XML tree + """ + out = OrderedDict() + root = tree.getroot() + for mesh_elem in root.iter('mesh'): + mesh = MeshBase.from_xml_element(mesh_elem) + out[mesh.id] = mesh + + return out \ No newline at end of file diff --git a/openmc/settings.py b/openmc/settings.py index 129ae2655..a219f8aa2 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -16,7 +16,7 @@ from openmc.stats.multivariate import MeshSpatial from . import RegularMesh, Source, VolumeCalculation, WeightWindows from ._xml import clean_indentation, get_text, reorder_attributes from openmc.checkvalue import PathLike -from .mesh import MeshBase +from .mesh import MeshBase, read_meshes class RunMode(Enum): @@ -1328,19 +1328,7 @@ class Settings: def _source_from_xml_element(self, root, meshes=None): for elem in root.findall('source'): - src = Source.from_xml_element(elem) - if isinstance(src.space, MeshSpatial): - mesh_id = int(get_text(elem, 'mesh')) - if mesh_id not in meshes: - path = f"./mesh[@id='{mesh_id}']" - mesh_elem = root.find(path) - if mesh_elem is not None: - mesh = MeshBase.from_xml_element(mesh_elem) - meshes[mesh.id] = mesh - try: - src.space.mesh = meshes[mesh_id] - except KeyError as e: - raise e(f'Mesh with ID {mesh_id} was not found.') + src = Source.from_xml_element(elem, meshes) # add newly constructed source object to the list self.source.append(src) @@ -1774,4 +1762,5 @@ class Settings: """ tree = ET.parse(path) root = tree.getroot() - return cls.from_xml_element(root) + meshes = read_meshes(tree) + return cls.from_xml_element(root, meshes) diff --git a/openmc/source.py b/openmc/source.py index 9293a5953..7f88bcd52 100644 --- a/openmc/source.py +++ b/openmc/source.py @@ -258,13 +258,16 @@ class Source: return element @classmethod - def from_xml_element(cls, elem: ET.Element) -> 'openmc.Source': + def from_xml_element(cls, elem: ET.Element, meshes=None) -> 'openmc.Source': """Generate source from an XML element Parameters ---------- elem : xml.etree.ElementTree.Element XML element + meshes : dict + Dictionary with mesh IDs as keys and openmc.MeshBase instaces as + values Returns ------- @@ -313,7 +316,7 @@ class Source: space = elem.find('space') if space is not None: - source.space = Spatial.from_xml_element(space) + source.space = Spatial.from_xml_element(space, meshes) angle = elem.find('angle') if angle is not None: diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py index db13b9bc9..7372020b0 100644 --- a/openmc/stats/multivariate.py +++ b/openmc/stats/multivariate.py @@ -262,7 +262,7 @@ class Spatial(ABC): @classmethod @abstractmethod - def from_xml_element(cls, elem): + def from_xml_element(cls, elem, meshes=None): distribution = get_text(elem, 'type') if distribution == 'cartesian': return CartesianIndependent.from_xml_element(elem) @@ -275,7 +275,7 @@ class Spatial(ABC): elif distribution == 'point': return Point.from_xml_element(elem) elif distribution == 'mesh': - return MeshSpatial.from_xml_element(elem) + return MeshSpatial.from_xml_element(elem, meshes) class CartesianIndependent(Spatial): @@ -714,13 +714,16 @@ class MeshSpatial(Spatial): return element @classmethod - def from_xml_element(cls, elem): + def from_xml_element(cls, elem, meshes): """Generate spatial distribution from an XML element Parameters ---------- elem : xml.etree.ElementTree.Element XML element + meshes : dict + A dictionary with mesh IDs as keys and openmc.MeshBase instances as + values Returns ------- @@ -732,16 +735,16 @@ class MeshSpatial(Spatial): mesh_id = int(elem.get('mesh_id')) # check if this mesh has been read in from another location already - if mesh_id not in MESHES: + if mesh_id not in meshes: raise RuntimeError(f'Could not locate mesh with ID "{mesh_id}"') volume_normalized = elem.get("volume_normalized") volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true' - if elem.get('strengths') is not None: + strengths = get_text(elem, 'strengths') + if strengths is not None: strengths = [float(b) for b in get_text(elem, 'strengths').split()] - else: - strengths = None - return cls(MESHES[mesh_id], strengths, volume_normalized) + + return cls(meshes[mesh_id], strengths, volume_normalized) class Box(Spatial): diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py index e6074cb23..596b22f9a 100644 --- a/tests/unit_tests/test_source_mesh.py +++ b/tests/unit_tests/test_source_mesh.py @@ -106,10 +106,8 @@ def test_unstructured_mesh_sampling(model, request, test_cases): cell_counts = np.zeros((n_cells, n_measurements)) # This model contains 1000 geometry cells. Each cell is a hex - # corresponding to 12 of the tets. This test runs 10000 particles. This + # corresponding to 12 of the tets. This test runs 1000 samples. This # results in the following average for each cell - average_in_hex = n_samples / n_cells - openmc.lib.init([]) # perform many sets of samples and track counts for each cell @@ -174,4 +172,32 @@ def test_strengths_size_failure(request, model): with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]): model.export_to_xml() - openmc.run() \ No newline at end of file + openmc.run() + +def test_roundtrip(run_in_tmpdir, model, request): + if not openmc.lib._libmesh_enabled() and not openmc.lib._dagmc_enabled(): + pytest.skip("Unstructured mesh is not enabled in this build.") + + mesh_filename = Path(request.fspath).parent / 'test_mesh_tets.e' + ucd_mesh = openmc.UnstructuredMesh(mesh_filename, library='libmesh') + + if not openmc.lib._libmesh_enabled(): + ucd_mesh.library = 'moab' + + n_cells = len(model.geometry.get_all_cells()) + + space_out = openmc.MeshSpatial(ucd_mesh) + space_out.strengths = np.random.rand(n_cells*TETS_PER_VOXEL) + model.settings.source = openmc.Source(space=space_out) + + # write out the model + model.export_to_xml() + + model_in = openmc.Model.from_xml() + + space_in = model_in.settings.source[0].space + + np.testing.assert_equal(space_out.strengths, space_in.strengths) + + assert space_in.mesh.id == space_out.mesh.id + assert space_in.volume_normalized == space_out.volume_normalized From 283e3ee6aa5db3012a118cd300bf3b6f9388c2ac Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Fri, 3 Feb 2023 22:51:51 -0600 Subject: [PATCH 49/51] Adjust the read_meshes function to search only for mesh elements directly below the element passed in --- openmc/mesh.py | 18 ++++++++++++++---- openmc/settings.py | 2 +- 2 files changed, 15 insertions(+), 5 deletions(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index a3452b846..b2114525f 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -1940,12 +1940,22 @@ class UnstructuredMesh(MeshBase): return cls(filename, library, mesh_id, '', length_multiplier) -def read_meshes(tree): - """Reads all mesh nodes under an XML tree +def read_meshes(elem): + """Reads all mesh nodes under a a given XML node + + Parameters + ---------- + elem : xml.etree.ElementTree.Element + XML element + + Returns + ------- + OrderedDict + An ordered dictionary with mesh IDs as keys and openmc.MeshBase + instanaces as values """ out = OrderedDict() - root = tree.getroot() - for mesh_elem in root.iter('mesh'): + for mesh_elem in elem.findall('mesh'): mesh = MeshBase.from_xml_element(mesh_elem) out[mesh.id] = mesh diff --git a/openmc/settings.py b/openmc/settings.py index a219f8aa2..ff35a90cf 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -1762,5 +1762,5 @@ class Settings: """ tree = ET.parse(path) root = tree.getroot() - meshes = read_meshes(tree) + meshes = read_meshes(root) return cls.from_xml_element(root, meshes) From 75fe7f00a9668c7f86ce1ccb6943964fc2064055 Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Mon, 13 Feb 2023 09:40:21 -0600 Subject: [PATCH 50/51] Apply code suggestions from @paulromano Co-authored-by: Paul Romano --- openmc/mesh.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index b2114525f..734d04da4 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -1941,7 +1941,7 @@ class UnstructuredMesh(MeshBase): def read_meshes(elem): - """Reads all mesh nodes under a a given XML node + """Generate dictionary of meshes from a given XML node Parameters ---------- From 3d548c882feac44867a1a4b888fad168ddce79fe Mon Sep 17 00:00:00 2001 From: Patrick Shriwise Date: Mon, 13 Feb 2023 09:52:17 -0600 Subject: [PATCH 51/51] Addressing latest comments from @paulromano --- openmc/mesh.py | 8 ++++---- openmc/settings.py | 4 ++-- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/openmc/mesh.py b/openmc/mesh.py index 734d04da4..196d7f6c0 100644 --- a/openmc/mesh.py +++ b/openmc/mesh.py @@ -1940,7 +1940,7 @@ class UnstructuredMesh(MeshBase): return cls(filename, library, mesh_id, '', length_multiplier) -def read_meshes(elem): +def _read_meshes(elem): """Generate dictionary of meshes from a given XML node Parameters @@ -1950,11 +1950,11 @@ def read_meshes(elem): Returns ------- - OrderedDict - An ordered dictionary with mesh IDs as keys and openmc.MeshBase + dict + A dictionary with mesh IDs as keys and openmc.MeshBase instanaces as values """ - out = OrderedDict() + out = dict() for mesh_elem in elem.findall('mesh'): mesh = MeshBase.from_xml_element(mesh_elem) out[mesh.id] = mesh diff --git a/openmc/settings.py b/openmc/settings.py index ff35a90cf..39329a69e 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -16,7 +16,7 @@ from openmc.stats.multivariate import MeshSpatial from . import RegularMesh, Source, VolumeCalculation, WeightWindows from ._xml import clean_indentation, get_text, reorder_attributes from openmc.checkvalue import PathLike -from .mesh import MeshBase, read_meshes +from .mesh import _read_meshes class RunMode(Enum): @@ -1762,5 +1762,5 @@ class Settings: """ tree = ET.parse(path) root = tree.getroot() - meshes = read_meshes(root) + meshes = _read_meshes(root) return cls.from_xml_element(root, meshes)