Source code for openmc.lattice

from __future__ import division

from abc import ABCMeta
from collections import OrderedDict, Iterable
from copy import deepcopy
from math import sqrt, floor
from numbers import Real, Integral
from xml.etree import ElementTree as ET

from six import add_metaclass, string_types
import numpy as np

import openmc.checkvalue as cv
import openmc


@add_metaclass(ABCMeta)
[docs]class Lattice(object): """A repeating structure wherein each element is a universe. Parameters ---------- lattice_id : int, optional Unique identifier for the lattice. If not specified, an identifier will automatically be assigned. name : str, optional Name of the lattice. If not specified, the name is the empty string. Attributes ---------- id : int Unique identifier for the lattice name : str Name of the lattice pitch : Iterable of float Pitch of the lattice in each direction in cm outer : openmc.Universe A universe to fill all space outside the lattice universes : Iterable of Iterable of openmc.Universe A two- or three-dimensional list/array of universes filling each element of the lattice """ def __init__(self, lattice_id=None, name=''): # Initialize Lattice class attributes self.id = lattice_id self.name = name self._pitch = None self._outer = None self._universes = None def __eq__(self, other): if not isinstance(other, Lattice): return False elif self.id != other.id: return False elif self.name != other.name: return False elif self.pitch != other.pitch: return False elif self.outer != other.outer: return False elif self.universes != other.universes: return False else: return True def __ne__(self, other): return not self == other @property def id(self): return self._id @property def name(self): return self._name @property def pitch(self): return self._pitch @property def outer(self): return self._outer @property def universes(self): return self._universes @id.setter def id(self, lattice_id): if lattice_id is None: self._id = openmc.universe.AUTO_UNIVERSE_ID openmc.universe.AUTO_UNIVERSE_ID += 1 else: cv.check_type('lattice ID', lattice_id, Integral) cv.check_greater_than('lattice ID', lattice_id, 0, equality=True) self._id = lattice_id @name.setter def name(self, name): if name is not None: cv.check_type('lattice name', name, string_types) self._name = name else: self._name = '' @outer.setter def outer(self, outer): cv.check_type('outer universe', outer, openmc.Universe) self._outer = outer @staticmethod
[docs] def from_hdf5(group, universes): """Create lattice from HDF5 group Parameters ---------- group : h5py.Group Group in HDF5 file universes : dict Dictionary mapping universe IDs to instances of :class:`openmc.Universe`. Returns ------- openmc.Lattice Instance of lattice subclass """ lattice_id = int(group.name.split('/')[-1].lstrip('lattice ')) name = group['name'].value.decode() if 'name' in group else '' lattice_type = group['type'].value.decode() if lattice_type == 'rectangular': dimension = group['dimension'][...] lower_left = group['lower_left'][...] pitch = group['pitch'][...] outer = group['outer'].value universe_ids = group['universes'][...] # Create the Lattice lattice = openmc.RectLattice(lattice_id, name) lattice.lower_left = lower_left lattice.pitch = pitch # If the Universe specified outer the Lattice is not void if outer >= 0: lattice.outer = universes[outer] # Build array of Universe pointers for the Lattice uarray = np.empty(universe_ids.shape, dtype=openmc.Universe) for z in range(universe_ids.shape[0]): for y in range(universe_ids.shape[1]): for x in range(universe_ids.shape[2]): uarray[z, y, x] = universes[universe_ids[z, y, x]] # Use 2D NumPy array to store lattice universes for 2D lattices if len(dimension) == 2: uarray = np.squeeze(uarray) uarray = np.atleast_2d(uarray) # Set the universes for the lattice lattice.universes = uarray elif lattice_type == 'hexagonal': n_rings = group['n_rings'].value n_axial = group['n_axial'].value center = group['center'][...] pitch = group['pitch'][...] outer = group['outer'].value universe_ids = group['universes'][...] # Create the Lattice lattice = openmc.HexLattice(lattice_id, name) lattice.center = center lattice.pitch = pitch # If the Universe specified outer the Lattice is not void if outer >= 0: lattice.outer = universes[outer] # Build array of Universe pointers for the Lattice. Note that # we need to convert between the HDF5's square array of # (x, alpha, z) to the Python API's format of a ragged nested # list of (z, ring, theta). uarray = [] for z in range(n_axial): # Add a list for this axial level. uarray.append([]) x = n_rings - 1 a = 2*n_rings - 2 for r in range(n_rings - 1, 0, -1): # Add a list for this ring. uarray[-1].append([]) # Climb down the top-right. for i in range(r): uarray[-1][-1].append(universe_ids[z, a, x]) x += 1 a -= 1 # Climb down the right. for i in range(r): uarray[-1][-1].append(universe_ids[z, a, x]) a -= 1 # Climb down the bottom-right. for i in range(r): uarray[-1][-1].append(universe_ids[z, a, x]) x -= 1 # Climb up the bottom-left. for i in range(r): uarray[-1][-1].append(universe_ids[z, a, x]) x -= 1 a += 1 # Climb up the left. for i in range(r): uarray[-1][-1].append(universe_ids[z, a, x]) a += 1 # Climb up the top-left. for i in range(r): uarray[-1][-1].append(universe_ids[z, a, x]) x += 1 # Move down to the next ring. a -= 1 # Convert the ids into Universe objects. uarray[-1][-1] = [universes[u_id] for u_id in uarray[-1][-1]] # Handle the degenerate center ring separately. u_id = universe_ids[z, a, x] uarray[-1].append([universes[u_id]]) # Add the universes to the lattice. if len(pitch) == 2: # Lattice is 3D lattice.universes = uarray else: # Lattice is 2D; extract the only axial level lattice.universes = uarray[0] return lattice
[docs] def get_unique_universes(self): """Determine all unique universes in the lattice Returns ------- universes : collections.OrderedDict Dictionary whose keys are universe IDs and values are :class:`openmc.Universe` instances """ univs = OrderedDict() for k in range(len(self._universes)): for j in range(len(self._universes[k])): if isinstance(self._universes[k][j], openmc.Universe): u = self._universes[k][j] univs[u._id] = u else: for i in range(len(self._universes[k][j])): u = self._universes[k][j][i] assert isinstance(u, openmc.Universe) univs[u._id] = u if self.outer is not None: univs[self.outer._id] = self.outer return univs
[docs] def get_nuclides(self): """Returns all nuclides in the lattice Returns ------- nuclides : list of str List of nuclide names """ nuclides = [] # Get all unique Universes contained in each of the lattice cells unique_universes = self.get_unique_universes() # Append all Universes containing each cell to the dictionary for universe in unique_universes.values(): for nuclide in universe.get_nuclides(): if nuclide not in nuclides: nuclides.append(nuclide) return nuclides
[docs] def get_all_cells(self): """Return all cells that are contained within the lattice Returns ------- cells : collections.OrderedDict Dictionary whose keys are cell IDs and values are :class:`Cell` instances """ cells = OrderedDict() unique_universes = self.get_unique_universes() for universe_id, universe in unique_universes.items(): cells.update(universe.get_all_cells()) return cells
[docs] def get_all_materials(self): """Return all materials that are contained within the lattice Returns ------- materials : collections.OrderedDict Dictionary whose keys are material IDs and values are :class:`Material` instances """ materials = OrderedDict() # Append all Cells in each Cell in the Universe to the dictionary cells = self.get_all_cells() for cell_id, cell in cells.items(): materials.update(cell.get_all_materials()) return materials
[docs] def get_all_universes(self): """Return all universes that are contained within the lattice Returns ------- universes : collections.OrderedDict Dictionary whose keys are universe IDs and values are :class:`Universe` instances """ # Initialize a dictionary of all Universes contained by the Lattice # in each nested Universe level all_universes = OrderedDict() # Get all unique Universes contained in each of the lattice cells unique_universes = self.get_unique_universes() # Add the unique Universes filling each Lattice cell all_universes.update(unique_universes) # Append all Universes containing each cell to the dictionary for universe_id, universe in unique_universes.items(): all_universes.update(universe.get_all_universes()) return all_universes
[docs] def get_universe(self, idx): r"""Return universe corresponding to a lattice element index Parameters ---------- idx : Iterable of int Lattice element indices. For a rectangular lattice, the indices are given in the :math:`(x,y)` or :math:`(x,y,z)` coordinate system. For hexagonal lattices, they are given in the :math:`x,\alpha` or :math:`x,\alpha,z` coordinate systems. Returns ------- openmc.Universe Universe with given indices """ idx_u = self.get_universe_index(idx) if self.ndim == 2: return self.universes[idx_u[0]][idx_u[1]] else: return self.universes[idx_u[0]][idx_u[1]][idx_u[2]]
[docs] def find(self, point): """Find cells/universes/lattices which contain a given point Parameters ---------- point : 3-tuple of float Cartesian coordinates of the point Returns ------- list Sequence of universes, cells, and lattices which are traversed to find the given point """ idx, p = self.find_element(point) if self.is_valid_index(idx): u = self.get_universe(idx) else: if self.outer is not None: u = self.outer else: return [] return [(self, idx)] + u.find(p)
[docs] def clone(self, memo=None): """Create a copy of this lattice with a new unique ID, and clones all universes within this lattice. Parameters ---------- memo : dict or None A nested dictionary of previously cloned objects. This parameter is used internally and should not be specified by the user. Returns ------- clone : openmc.Lattice The clone of this lattice """ if memo is None: memo = {} # If no nemoize'd clone exists, instantiate one if self not in memo: clone = deepcopy(self) clone.id = None if self.outer is not None: clone.outer = self.outer.clone(memo) # Assign universe clones to the lattice clone for i in self.indices: if isinstance(self, RectLattice): clone.universes[i] = self.universes[i].clone(memo) else: if self.ndim == 2: clone.universes[i[0]][i[1]] = \ self.universes[i[0]][i[1]].clone(memo) else: clone.universes[i[0]][i[1]][i[2]] = \ self.universes[i[0]][i[1]][i[2]].clone(memo) # Memoize the clone memo[self] = clone return memo[self]
[docs]class RectLattice(Lattice): """A lattice consisting of rectangular prisms. To completely define a rectangular lattice, the :attr:`RectLattice.lower_left` :attr:`RectLattice.pitch`, :attr:`RectLattice.outer`, and :attr:`RectLattice.universes` properties need to be set. Most methods for this class use a natural indexing scheme wherein elements are assigned an index corresponding to their position relative to the (x,y,z) axes in a Cartesian coordinate system, i.e., an index of (0,0,0) in the lattice gives the element whose x, y, and z coordinates are the smallest. However, note that when universes are assigned to lattice elements using the :attr:`RectLattice.universes` property, the array indices do not correspond to natural indices. Parameters ---------- lattice_id : int, optional Unique identifier for the lattice. If not specified, an identifier will automatically be assigned. name : str, optional Name of the lattice. If not specified, the name is the empty string. Attributes ---------- id : int Unique identifier for the lattice name : str Name of the lattice pitch : Iterable of float Pitch of the lattice in the x, y, and (if applicable) z directions in cm. outer : openmc.Universe A universe to fill all space outside the lattice universes : Iterable of Iterable of openmc.Universe A two- or three-dimensional list/array of universes filling each element of the lattice. The first dimension corresponds to the z-direction (if applicable), the second dimension corresponds to the y-direction, and the third dimension corresponds to the x-direction. Note that for the y-direction, a higher index corresponds to a lower physical y-value. Each z-slice in the array can be thought of as a top-down view of the lattice. lower_left : Iterable of float The Cartesian coordinates of the lower-left corner of the lattice. If the lattice is two-dimensional, only the x- and y-coordinates are specified. indices : list of tuple A list of all possible (z,y,x) or (y,x) lattice element indices. These indices correspond to indices in the :attr:`RectLattice.universes` property. ndim : int The number of dimensions of the lattice shape : Iterable of int An array of two or three integers representing the number of lattice cells in the x- and y- (and z-) directions, respectively. """ def __init__(self, lattice_id=None, name=''): super(RectLattice, self).__init__(lattice_id, name) # Initialize Lattice class attributes self._lower_left = None def __eq__(self, other): if not isinstance(other, RectLattice): return False elif not super(RectLattice, self).__eq__(other): return False elif self.shape != other.shape: return False elif self.lower_left != other.lower_left: return False else: return True def __ne__(self, other): return not self == other def __hash__(self): return hash(repr(self)) def __repr__(self): string = 'RectLattice\n' string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) string += '{0: <16}{1}{2}\n'.format('\tShape', '=\t', self.shape) string += '{0: <16}{1}{2}\n'.format('\tLower Left', '=\t', self._lower_left) string += '{0: <16}{1}{2}\n'.format('\tPitch', '=\t', self._pitch) if self._outer is not None: string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', self._outer._id) else: string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', self._outer) string += '{0: <16}\n'.format('\tUniverses') # Lattice nested Universe IDs - column major for Fortran for i, universe in enumerate(np.ravel(self._universes)): string += '{0} '.format(universe._id) # Add a newline character every time we reach end of row of cells if (i+1) % self.shape[0] == 0: string += '\n' string = string.rstrip('\n') return string @property def indices(self): if self.ndim == 2: return list(np.broadcast(*np.ogrid[ :self.shape[1], :self.shape[0]])) else: return list(np.broadcast(*np.ogrid[ :self.shape[2], :self.shape[1], :self.shape[0]])) @property def _natural_indices(self): """Iterate over all possible (x,y) or (x,y,z) lattice element indices. This property is used when constructing distributed cell and material paths. Most importantly, the iteration order matches that used on the Fortran side. """ if self.ndim == 2: nx, ny = self.shape return np.broadcast(*np.ogrid[:nx, :ny]) else: nx, ny, nz = self.shape return np.broadcast(*np.ogrid[:nx, :ny, :nz]) @property def lower_left(self): return self._lower_left @property def ndim(self): return len(self.pitch) @property def shape(self): return self._universes.shape[::-1] @lower_left.setter def lower_left(self, lower_left): cv.check_type('lattice lower left corner', lower_left, Iterable, Real) cv.check_length('lattice lower left corner', lower_left, 2, 3) self._lower_left = lower_left @Lattice.pitch.setter def pitch(self, pitch): cv.check_type('lattice pitch', pitch, Iterable, Real) cv.check_length('lattice pitch', pitch, 2, 3) for dim in pitch: cv.check_greater_than('lattice pitch', dim, 0.0) self._pitch = pitch @Lattice.universes.setter def universes(self, universes): cv.check_iterable_type('lattice universes', universes, openmc.Universe, min_depth=2, max_depth=3) self._universes = np.asarray(universes)
[docs] def find_element(self, point): """Determine index of lattice element and local coordinates for a point Parameters ---------- point : Iterable of float Cartesian coordinates of point Returns ------- 2- or 3-tuple of int A tuple of the corresponding (x,y,z) lattice element indices 3-tuple of float Carestian coordinates of the point in the corresponding lattice element coordinate system """ ix = floor((point[0] - self.lower_left[0])/self.pitch[0]) iy = floor((point[1] - self.lower_left[1])/self.pitch[1]) if self.ndim == 2: idx = (ix, iy) else: iz = floor((point[2] - self.lower_left[2])/self.pitch[2]) idx = (ix, iy, iz) return idx, self.get_local_coordinates(point, idx)
[docs] def get_local_coordinates(self, point, idx): """Determine local coordinates of a point within a lattice element Parameters ---------- point : Iterable of float Cartesian coordinates of point idx : Iterable of int (x,y,z) indices of lattice element. If the lattice is 2D, the z index can be omitted. Returns ------- 3-tuple of float Cartesian coordinates of point in the lattice element coordinate system """ x = point[0] - (self.lower_left[0] + (idx[0] + 0.5)*self.pitch[0]) y = point[1] - (self.lower_left[1] + (idx[1] + 0.5)*self.pitch[1]) if self.ndim == 2: z = point[2] else: z = point[2] - (self.lower_left[2] + (idx[2] + 0.5)*self.pitch[2]) return (x, y, z)
[docs] def get_universe_index(self, idx): """Return index in the universes array corresponding to a lattice element index Parameters ---------- idx : Iterable of int Lattice element indices in the :math:`(x,y,z)` coordinate system Returns ------- 2- or 3-tuple of int Indices used when setting the :attr:`RectLattice.universes` property """ max_y = self.shape[1] - 1 if self.ndim == 2: x, y = idx return (max_y - y, x) else: x, y, z = idx return (z, max_y - y, x)
[docs] def is_valid_index(self, idx): """Determine whether lattice element index is within defined range Parameters ---------- idx : Iterable of int Lattice element indices in the :math:`(x,y,z)` coordinate system Returns ------- bool Whether index is valid """ if self.ndim == 2: return (0 <= idx[0] < self.shape[0] and 0 <= idx[1] < self.shape[1]) else: return (0 <= idx[0] < self.shape[0] and 0 <= idx[1] < self.shape[1] and 0 <= idx[2] < self.shape[2])
def create_xml_subelement(self, xml_element): # Determine if XML element already contains subelement for this Lattice path = './lattice[@id=\'{0}\']'.format(self._id) test = xml_element.find(path) # If the element does contain the Lattice subelement, then return if test is not None: return lattice_subelement = ET.Element("lattice") lattice_subelement.set("id", str(self._id)) if len(self._name) > 0: lattice_subelement.set("name", str(self._name)) # Export the Lattice cell pitch pitch = ET.SubElement(lattice_subelement, "pitch") pitch.text = ' '.join(map(str, self._pitch)) # Export the Lattice outer Universe (if specified) if self._outer is not None: outer = ET.SubElement(lattice_subelement, "outer") outer.text = '{0}'.format(self._outer._id) self._outer.create_xml_subelement(xml_element) # Export Lattice cell dimensions dimension = ET.SubElement(lattice_subelement, "dimension") dimension.text = ' '.join(map(str, self.shape)) # Export Lattice lower left lower_left = ET.SubElement(lattice_subelement, "lower_left") lower_left.text = ' '.join(map(str, self._lower_left)) # Export the Lattice nested Universe IDs - column major for Fortran universe_ids = '\n' # 3D Lattices if self.ndim == 3: for z in range(self.shape[2]): for y in range(self.shape[1]): for x in range(self.shape[0]): universe = self._universes[z][y][x] # Append Universe ID to the Lattice XML subelement universe_ids += '{0} '.format(universe._id) # Create XML subelement for this Universe universe.create_xml_subelement(xml_element) # Add newline character when we reach end of row of cells universe_ids += '\n' # Add newline character when we reach end of row of cells universe_ids += '\n' # 2D Lattices else: for y in range(self.shape[1]): for x in range(self.shape[0]): universe = self._universes[y][x] # Append Universe ID to Lattice XML subelement universe_ids += '{0} '.format(universe._id) # Create XML subelement for this Universe universe.create_xml_subelement(xml_element) # Add newline character when we reach end of row of cells universe_ids += '\n' # Remove trailing newline character from Universe IDs string universe_ids = universe_ids.rstrip('\n') universes = ET.SubElement(lattice_subelement, "universes") universes.text = universe_ids # Append the XML subelement for this Lattice to the XML element xml_element.append(lattice_subelement)
[docs]class HexLattice(Lattice): r"""A lattice consisting of hexagonal prisms. To completely define a hexagonal lattice, the :attr:`HexLattice.center`, :attr:`HexLattice.pitch`, :attr:`HexLattice.universes`, and :attr:`HexLattice.outer` properties need to be set. Most methods for this class use a natural indexing scheme wherein elements are assigned an index corresponding to their position relative to skewed :math:`(x,\alpha,z)` axes as described fully in :ref:`hexagonal_indexing`. However, note that when universes are assigned to lattice elements using the :attr:`HexLattice.universes` property, the array indices do not correspond to natural indices. Parameters ---------- lattice_id : int, optional Unique identifier for the lattice. If not specified, an identifier will automatically be assigned. name : str, optional Name of the lattice. If not specified, the name is the empty string. Attributes ---------- id : int Unique identifier for the lattice name : str Name of the lattice pitch : Iterable of float Pitch of the lattice in cm. The first item in the iterable specifies the pitch in the radial direction and, if the lattice is 3D, the second item in the iterable specifies the pitch in the axial direction. outer : openmc.Universe A universe to fill all space outside the lattice universes : Nested Iterable of openmc.Universe A two- or three-dimensional list/array of universes filling each element of the lattice. Each sub-list corresponds to one ring of universes and should be ordered from outermost ring to innermost ring. The universes within each sub-list are ordered from the "top" and proceed in a clockwise fashion. The :meth:`HexLattice.show_indices` method can be used to help figure out indices for this property. center : Iterable of float Coordinates of the center of the lattice. If the lattice does not have axial sections then only the x- and y-coordinates are specified indices : list of tuple A list of all possible (z,r,i) or (r,i) lattice element indices that are possible, where z is the axial index, r is in the ring index (starting from the outermost ring), and i is the index with a ring starting from the top and proceeding clockwise. num_rings : int Number of radial ring positions in the xy-plane num_axial : int Number of positions along the z-axis. """ def __init__(self, lattice_id=None, name=''): super(HexLattice, self).__init__(lattice_id, name) # Initialize Lattice class attributes self._num_rings = None self._num_axial = None self._center = None def __eq__(self, other): if not isinstance(other, HexLattice): return False elif not super(HexLattice, self).__eq__(other): return False elif self.num_rings != other.num_rings: return False elif self.num_axial != other.num_axial: return False elif self.center != other.center: return False else: return True def __ne__(self, other): return not self == other def __hash__(self): return hash(repr(self)) def __repr__(self): string = 'HexLattice\n' string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id) string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name) string += '{0: <16}{1}{2}\n'.format('\t# Rings', '=\t', self._num_rings) string += '{0: <16}{1}{2}\n'.format('\t# Axial', '=\t', self._num_axial) string += '{0: <16}{1}{2}\n'.format('\tCenter', '=\t', self._center) string += '{0: <16}{1}{2}\n'.format('\tPitch', '=\t', self._pitch) if self._outer is not None: string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', self._outer._id) else: string += '{0: <16}{1}{2}\n'.format('\tOuter', '=\t', self._outer) string += '{0: <16}\n'.format('\tUniverses') if self._num_axial is not None: slices = [self._repr_axial_slice(x) for x in self._universes] string += '\n'.join(slices) else: string += self._repr_axial_slice(self._universes) return string @property def num_rings(self): return self._num_rings @property def num_axial(self): return self._num_axial @property def center(self): return self._center @property def indices(self): if self.num_axial is None: return [(r, i) for r in range(self.num_rings) for i in range(max(6*(self.num_rings - 1 - r), 1))] else: return [(z, r, i) for z in range(self.num_axial) for r in range(self.num_rings) for i in range(max(6*(self.num_rings - 1 - r), 1))] @property def _natural_indices(self): """Iterate over all possible (x,alpha) or (x,alpha,z) lattice element indices. This property is used when constructing distributed cell and material paths. Most importantly, the iteration order matches that used on the Fortran side. """ r = self.num_rings if self.num_axial is None: for a in range(-r + 1, r): for x in range(-r + 1, r): idx = (x, a) if self.is_valid_index(idx): yield idx else: for z in range(self.num_axial): for a in range(-r + 1, r): for x in range(-r + 1, r): idx = (x, a, z) if self.is_valid_index(idx): yield idx @property def ndim(self): return 2 if isinstance(self.universes[0][0], openmc.Universe) else 3 @center.setter def center(self, center): cv.check_type('lattice center', center, Iterable, Real) cv.check_length('lattice center', center, 2, 3) self._center = center @Lattice.pitch.setter def pitch(self, pitch): cv.check_type('lattice pitch', pitch, Iterable, Real) cv.check_length('lattice pitch', pitch, 1, 2) for dim in pitch: cv.check_greater_than('lattice pitch', dim, 0) self._pitch = pitch @Lattice.universes.setter def universes(self, universes): cv.check_iterable_type('lattice universes', universes, openmc.Universe, min_depth=2, max_depth=3) self._universes = universes # NOTE: This routine assumes that the user creates a "ragged" list of # lists, where each sub-list corresponds to one ring of Universes. # The sub-lists are ordered from outermost ring to innermost ring. # The Universes within each sub-list are ordered from the "top" in a # clockwise fashion. # Set the number of axial positions. if self.ndim == 3: self._num_axial = len(self._universes) else: self._num_axial = None # Set the number of rings and make sure this number is consistent for # all axial positions. if self.ndim == 3: self._num_rings = len(self._universes[0]) for rings in self._universes: if len(rings) != self._num_rings: msg = 'HexLattice ID={0:d} has an inconsistent number of ' \ 'rings per axial positon'.format(self._id) raise ValueError(msg) else: self._num_rings = len(self._universes) # Make sure there are the correct number of elements in each ring. if self.ndim == 3: for axial_slice in self._universes: # Check the center ring. if len(axial_slice[-1]) != 1: msg = 'HexLattice ID={0:d} has the wrong number of ' \ 'elements in the innermost ring. Only 1 element is ' \ 'allowed in the innermost ring.'.format(self._id) raise ValueError(msg) # Check the outer rings. for r in range(self._num_rings-1): if len(axial_slice[r]) != 6*(self._num_rings - 1 - r): msg = 'HexLattice ID={0:d} has the wrong number of ' \ 'elements in ring number {1:d} (counting from the '\ 'outermost ring). This ring should have {2:d} ' \ 'elements.'.format(self._id, r, 6*(self._num_rings - 1 - r)) raise ValueError(msg) else: axial_slice = self._universes # Check the center ring. if len(axial_slice[-1]) != 1: msg = 'HexLattice ID={0:d} has the wrong number of ' \ 'elements in the innermost ring. Only 1 element is ' \ 'allowed in the innermost ring.'.format(self._id) raise ValueError(msg) # Check the outer rings. for r in range(self._num_rings-1): if len(axial_slice[r]) != 6*(self._num_rings - 1 - r): msg = 'HexLattice ID={0:d} has the wrong number of ' \ 'elements in ring number {1:d} (counting from the '\ 'outermost ring). This ring should have {2:d} ' \ 'elements.'.format(self._id, r, 6*(self._num_rings - 1 - r)) raise ValueError(msg)
[docs] def find_element(self, point): r"""Determine index of lattice element and local coordinates for a point Parameters ---------- point : Iterable of float Cartesian coordinates of point Returns ------- 3-tuple of int Indices of corresponding lattice element in :math:`(x,\alpha,z)` bases numpy.ndarray Carestian coordinates of the point in the corresponding lattice element coordinate system """ # Convert coordinates to skewed bases x = point[0] - self.center[0] y = point[1] - self.center[1] if self._num_axial is None: iz = 1 else: z = point[2] - self.center[2] iz = floor(z/self.pitch[1] + 0.5*self.num_axial) alpha = y - x/sqrt(3.) ix = floor(x/(sqrt(0.75) * self.pitch[0])) ia = floor(alpha/self.pitch[0]) # Check four lattice elements to see which one is closest based on local # coordinates d_min = np.inf for idx in [(ix, ia, iz), (ix + 1, ia, iz), (ix, ia + 1, iz), (ix + 1, ia + 1, iz)]: p = self.get_local_coordinates(point, idx) d = p[0]**2 + p[1]**2 if d < d_min: d_min = d idx_min = idx p_min = p return idx_min, p_min
[docs] def get_local_coordinates(self, point, idx): r"""Determine local coordinates of a point within a lattice element Parameters ---------- point : Iterable of float Cartesian coordinates of point idx : Iterable of int Indices of lattice element in :math:`(x,\alpha,z)` bases Returns ------- 3-tuple of float Cartesian coordinates of point in the lattice element coordinate system """ x = point[0] - (self.center[0] + sqrt(0.75)*self.pitch[0]*idx[0]) y = point[1] - (self.center[1] + (0.5*idx[0] + idx[1])*self.pitch[0]) if self._num_axial is None: z = point[2] else: z = point[2] - (self.center[2] + (idx[2] + 0.5 - 0.5*self.num_axial)* self.pitch[1]) return (x, y, z)
[docs] def get_universe_index(self, idx): r"""Return index in the universes array corresponding to a lattice element index Parameters ---------- idx : Iterable of int Lattice element indices in the :math:`(x,\alpha,z)` coordinate system Returns ------- 2- or 3-tuple of int Indices used when setting the :attr:`HexLattice.universes` property """ # First we determine which ring the index corresponds to. x = idx[0] a = idx[1] z = -a - x g = max(abs(x), abs(a), abs(z)) # Next we use a clever method to figure out where along the ring we are. i_ring = self._num_rings - 1 - g if x >= 0: if a >= 0: i_within = x else: i_within = 2*g + z else: if a <= 0: i_within = 3*g - x else: i_within = 5*g - z if self.num_axial is None: return (i_ring, i_within) else: return (idx[2], i_ring, i_within)
[docs] def is_valid_index(self, idx): r"""Determine whether lattice element index is within defined range Parameters ---------- idx : Iterable of int Lattice element indices in the :math:`(x,\alpha,z)` coordinate system Returns ------- bool Whether index is valid """ x = idx[0] y = idx[1] z = 0 - y - x g = max(abs(x), abs(y), abs(z)) if self.num_axial is None: return g < self.num_rings else: return g < self.num_rings and 0 <= idx[2] < self.num_axial
def create_xml_subelement(self, xml_element): # Determine if XML element already contains subelement for this Lattice path = './hex_lattice[@id=\'{0}\']'.format(self._id) test = xml_element.find(path) # If the element does contain the Lattice subelement, then return if test is not None: return lattice_subelement = ET.Element("hex_lattice") lattice_subelement.set("id", str(self._id)) if len(self._name) > 0: lattice_subelement.set("name", str(self._name)) # Export the Lattice cell pitch pitch = ET.SubElement(lattice_subelement, "pitch") pitch.text = ' '.join(map(str, self._pitch)) # Export the Lattice outer Universe (if specified) if self._outer is not None: outer = ET.SubElement(lattice_subelement, "outer") outer.text = '{0}'.format(self._outer._id) self._outer.create_xml_subelement(xml_element) lattice_subelement.set("n_rings", str(self._num_rings)) if self._num_axial is not None: lattice_subelement.set("n_axial", str(self._num_axial)) # Export Lattice cell center center = ET.SubElement(lattice_subelement, "center") center.text = ' '.join(map(str, self._center)) # Export the Lattice nested Universe IDs. # 3D Lattices if self._num_axial is not None: slices = [] for z in range(self._num_axial): # Initialize the center universe. universe = self._universes[z][-1][0] universe.create_xml_subelement(xml_element) # Initialize the remaining universes. for r in range(self._num_rings-1): for theta in range(6*(self._num_rings - 1 - r)): universe = self._universes[z][r][theta] universe.create_xml_subelement(xml_element) # Get a string representation of the universe IDs. slices.append(self._repr_axial_slice(self._universes[z])) # Collapse the list of axial slices into a single string. universe_ids = '\n'.join(slices) # 2D Lattices else: # Initialize the center universe. universe = self._universes[-1][0] universe.create_xml_subelement(xml_element) # Initialize the remaining universes. for r in range(self._num_rings - 1): for theta in range(6*(self._num_rings - 1 - r)): universe = self._universes[r][theta] universe.create_xml_subelement(xml_element) # Get a string representation of the universe IDs. universe_ids = self._repr_axial_slice(self._universes) universes = ET.SubElement(lattice_subelement, "universes") universes.text = '\n' + universe_ids # Append the XML subelement for this Lattice to the XML element xml_element.append(lattice_subelement) def _repr_axial_slice(self, universes): """Return string representation for the given 2D group of universes. The 'universes' argument should be a list of lists of universes where each sub-list represents a single ring. The first list should be the outer ring. """ # Find the largest universe ID and count the number of digits so we can # properly pad the output string later. largest_id = max([max([univ._id for univ in ring]) for ring in universes]) n_digits = len(str(largest_id)) pad = ' '*n_digits id_form = '{: ^' + str(n_digits) + 'd}' # Initialize the list for each row. rows = [[] for i in range(1 + 4 * (self._num_rings-1))] middle = 2 * (self._num_rings - 1) # Start with the degenerate first ring. universe = universes[-1][0] rows[middle] = [id_form.format(universe._id)] # Add universes one ring at a time. for r in range(1, self._num_rings): # r_prime increments down while r increments up. r_prime = self._num_rings - 1 - r theta = 0 y = middle + 2*r # Climb down the top-right. for i in range(r): # Add the universe. universe = universes[r_prime][theta] rows[y].append(id_form.format(universe._id)) # Translate the indices. y -= 1 theta += 1 # Climb down the right. for i in range(r): # Add the universe. universe = universes[r_prime][theta] rows[y].append(id_form.format(universe._id)) # Translate the indices. y -= 2 theta += 1 # Climb down the bottom-right. for i in range(r): # Add the universe. universe = universes[r_prime][theta] rows[y].append(id_form.format(universe._id)) # Translate the indices. y -= 1 theta += 1 # Climb up the bottom-left. for i in range(r): # Add the universe. universe = universes[r_prime][theta] rows[y].insert(0, id_form.format(universe._id)) # Translate the indices. y += 1 theta += 1 # Climb up the left. for i in range(r): # Add the universe. universe = universes[r_prime][theta] rows[y].insert(0, id_form.format(universe._id)) # Translate the indices. y += 2 theta += 1 # Climb up the top-left. for i in range(r): # Add the universe. universe = universes[r_prime][theta] rows[y].insert(0, id_form.format(universe._id)) # Translate the indices. y += 1 theta += 1 # Flip the rows and join each row into a single string. rows = [pad.join(x) for x in rows[::-1]] # Pad the beginning of the rows so they line up properly. for y in range(self._num_rings - 1): rows[y] = (self._num_rings - 1 - y)*pad + rows[y] rows[-1 - y] = (self._num_rings - 1 - y)*pad + rows[-1 - y] for y in range(self._num_rings % 2, self._num_rings, 2): rows[middle + y] = pad + rows[middle + y] if y != 0: rows[middle - y] = pad + rows[middle - y] # Join the rows together and return the string. universe_ids = '\n'.join(rows) return universe_ids @staticmethod
[docs] def show_indices(num_rings): """Return a diagram of the hexagonal lattice layout with indices. This method can be used to show the proper indices to be used when setting the :attr:`HexLattice.universes` property. For example, running this method with num_rings=3 will return the following diagram:: (0, 0) (0,11) (0, 1) (0,10) (1, 0) (0, 2) (1, 5) (1, 1) (0, 9) (2, 0) (0, 3) (1, 4) (1, 2) (0, 8) (1, 3) (0, 4) (0, 7) (0, 5) (0, 6) Parameters ---------- num_rings : int Number of rings in the hexagonal lattice Returns ------- str Diagram of the hexagonal lattice showing indices """ # Find the largest string and count the number of digits so we can # properly pad the output string later largest_index = 6*(num_rings - 1) n_digits_index = len(str(largest_index)) n_digits_ring = len(str(num_rings - 1)) str_form = '({{:{}}},{{:{}}})'.format(n_digits_ring, n_digits_index) pad = ' '*(n_digits_index + n_digits_ring + 3) # Initialize the list for each row. rows = [[] for i in range(1 + 4 * (num_rings-1))] middle = 2 * (num_rings - 1) # Start with the degenerate first ring. rows[middle] = [str_form.format(num_rings - 1, 0)] # Add universes one ring at a time. for r in range(1, num_rings): # r_prime increments down while r increments up. r_prime = num_rings - 1 - r theta = 0 y = middle + 2*r for i in range(r): # Climb down the top-right. rows[y].append(str_form.format(r_prime, theta)) y -= 1 theta += 1 for i in range(r): # Climb down the right. rows[y].append(str_form.format(r_prime, theta)) y -= 2 theta += 1 for i in range(r): # Climb down the bottom-right. rows[y].append(str_form.format(r_prime, theta)) y -= 1 theta += 1 for i in range(r): # Climb up the bottom-left. rows[y].insert(0, str_form.format(r_prime, theta)) y += 1 theta += 1 for i in range(r): # Climb up the left. rows[y].insert(0, str_form.format(r_prime, theta)) y += 2 theta += 1 for i in range(r): # Climb up the top-left. rows[y].insert(0, str_form.format(r_prime, theta)) y += 1 theta += 1 # Flip the rows and join each row into a single string. rows = [pad.join(x) for x in rows[::-1]] # Pad the beginning of the rows so they line up properly. for y in range(num_rings - 1): rows[y] = (num_rings - 1 - y)*pad + rows[y] rows[-1 - y] = (num_rings - 1 - y)*pad + rows[-1 - y] for y in range(num_rings % 2, num_rings, 2): rows[middle + y] = pad + rows[middle + y] if y != 0: rows[middle - y] = pad + rows[middle - y] # Join the rows together and return the string. return '\n'.join(rows)