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Changes in material.py from PullRequest Inc. review
This commit is contained in:
Paul Romano
parent
fa15eea89f
commit
34e57d4ba3
1 changed files with 31 additions and 95 deletions
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@ -1,4 +1,4 @@
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from collections import OrderedDict, defaultdict
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from collections import OrderedDict, defaultdict, namedtuple
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from collections.abc import Iterable
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from copy import deepcopy
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from numbers import Real, Integral
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@ -20,6 +20,9 @@ DENSITY_UNITS = ['g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum',
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'macro']
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NuclideTuple = namedtuple('NuclideTuple', ['name', 'percent', 'percent_type'])
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class Material(IDManagerMixin):
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"""A material composed of a collection of nuclides/elements.
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@ -74,7 +77,9 @@ class Material(IDManagerMixin):
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instance. This property is initialized by calling the
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:meth:`Geometry.determine_paths` method.
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num_instances : int
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The number of instances of this material throughout the geometry.
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The number of instances of this material throughout the geometry. This
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property is initialized by calling the :meth:`Geometry.determine_paths`
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method.
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fissionable_mass : float
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Mass of fissionable nuclides in the material in [g]. Requires that the
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:attr:`volume` attribute is set.
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@ -108,12 +113,6 @@ class Material(IDManagerMixin):
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# If specified, a list of table names
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self._sab = []
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# If true, the material will be initialized as distributed
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self._convert_to_distrib_comps = False
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# If specified, this file will be used instead of composition values
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self._distrib_otf_file = None
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def __repr__(self):
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string = 'Material\n'
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string += '{: <16}=\t{}\n'.format('\tID', self._id)
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@ -183,14 +182,6 @@ class Material(IDManagerMixin):
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def isotropic(self):
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return self._isotropic
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@property
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def convert_to_distrib_comps(self):
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return self._convert_to_distrib_comps
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@property
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def distrib_otf_file(self):
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return self._distrib_otf_file
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@property
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def average_molar_mass(self):
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@ -330,9 +321,11 @@ class Material(IDManagerMixin):
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self._volume = volume_calc.volumes[self.id].n
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self._atoms = volume_calc.atoms[self.id]
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else:
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raise ValueError('No volume information found for this material.')
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raise ValueError('No volume information found for material ID={}.'
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.format(self.id))
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else:
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raise ValueError('No volume information found for this material.')
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raise ValueError('No volume information found for material ID={}.'
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.format(self.id))
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def set_density(self, units, density=None):
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"""Set the density of the material
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@ -366,27 +359,6 @@ class Material(IDManagerMixin):
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density, Real)
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self._density = density
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@distrib_otf_file.setter
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def distrib_otf_file(self, filename):
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# TODO: remove this when distributed materials are merged
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warnings.warn('This feature is not yet implemented in a release '
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'version of openmc')
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if not isinstance(filename, str) and filename is not None:
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msg = 'Unable to add OTF material file to Material ID="{}" with a ' \
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'non-string name "{}"'.format(self._id, filename)
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raise ValueError(msg)
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self._distrib_otf_file = filename
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@convert_to_distrib_comps.setter
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def convert_to_distrib_comps(self):
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# TODO: remove this when distributed materials are merged
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warnings.warn('This feature is not yet implemented in a release '
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'version of openmc')
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self._convert_to_distrib_comps = True
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def add_nuclide(self, nuclide, percent, percent_type='ao'):
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"""Add a nuclide to the material
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@ -419,7 +391,7 @@ class Material(IDManagerMixin):
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if Z >= 89:
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self.depletable = True
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self._nuclides.append((nuclide, percent, percent_type))
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self._nuclides.append(NuclideTuple(nuclide, percent, percent_type))
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def remove_nuclide(self, nuclide):
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"""Remove a nuclide from the material
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@ -434,7 +406,7 @@ class Material(IDManagerMixin):
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# If the Material contains the Nuclide, delete it
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for nuc in self._nuclides:
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if nuclide == nuc[0]:
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if nuclide == nuc.name:
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self._nuclides.remove(nuc)
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break
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@ -531,7 +503,7 @@ class Material(IDManagerMixin):
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natural composition is added to the material.
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"""
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cv.check_type('nuclide', element, str)
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cv.check_type('percent', percent, Real)
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cv.check_value('percent type', percent_type, {'ao', 'wo'})
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@ -626,7 +598,7 @@ class Material(IDManagerMixin):
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self._sab.append((new_name, fraction))
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def make_isotropic_in_lab(self):
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self.isotropic = [x[0] for x in self._nuclides]
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self.isotropic = [x.name for x in self._nuclides]
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def get_nuclides(self):
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"""Returns all nuclides in the material
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@ -637,7 +609,7 @@ class Material(IDManagerMixin):
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List of nuclide names
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"""
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return [x[0] for x in self._nuclides]
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return [x.name for x in self._nuclides]
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def get_nuclide_densities(self):
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"""Returns all nuclides in the material and their densities
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@ -650,6 +622,7 @@ class Material(IDManagerMixin):
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"""
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# keep ordered dictionary for testing purposes
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nuclides = OrderedDict()
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for nuclide, density, density_type in self._nuclides:
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@ -817,15 +790,14 @@ class Material(IDManagerMixin):
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return memo[self]
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def _get_nuclide_xml(self, nuclide, distrib=False):
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def _get_nuclide_xml(self, nuclide):
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xml_element = ET.Element("nuclide")
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xml_element.set("name", nuclide[0])
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if not distrib:
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if nuclide[2] == 'ao':
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xml_element.set("ao", str(nuclide[1]))
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else:
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xml_element.set("wo", str(nuclide[1]))
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if nuclide[2] == 'ao':
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xml_element.set("ao", str(nuclide[1]))
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else:
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xml_element.set("wo", str(nuclide[1]))
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return xml_element
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@ -835,10 +807,10 @@ class Material(IDManagerMixin):
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return xml_element
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def _get_nuclides_xml(self, nuclides, distrib=False):
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def _get_nuclides_xml(self, nuclides):
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xml_elements = []
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for nuclide in nuclides:
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xml_elements.append(self._get_nuclide_xml(nuclide, distrib))
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xml_elements.append(self._get_nuclide_xml(nuclide))
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return xml_elements
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def to_xml_element(self, cross_sections=None):
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@ -883,51 +855,15 @@ class Material(IDManagerMixin):
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raise ValueError('Density has not been set for material {}!'
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.format(self.id))
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if not self._convert_to_distrib_comps:
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if self._macroscopic is None:
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# Create nuclide XML subelements
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subelements = self._get_nuclides_xml(self._nuclides)
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for subelement in subelements:
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element.append(subelement)
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else:
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# Create macroscopic XML subelements
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subelement = self._get_macroscopic_xml(self._macroscopic)
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if self._macroscopic is None:
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# Create nuclide XML subelements
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subelements = self._get_nuclides_xml(self._nuclides)
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for subelement in subelements:
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element.append(subelement)
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else:
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subelement = ET.SubElement(element, "compositions")
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comps = []
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allnucs = self._nuclides
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dist_per_type = allnucs[0][2]
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for nuc in allnucs:
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if nuc[2] != dist_per_type:
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msg = 'All nuclides and elements in a distributed ' \
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'material must have the same type, either ao or wo'
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raise ValueError(msg)
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comps.append(nuc[1])
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if self._distrib_otf_file is None:
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# Create values and units subelements
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subsubelement = ET.SubElement(subelement, "values")
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subsubelement.text = ' '.join([str(c) for c in comps])
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subsubelement = ET.SubElement(subelement, "units")
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subsubelement.text = dist_per_type
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else:
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# Specify the materials file
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subsubelement = ET.SubElement(subelement, "otf_file_path")
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subsubelement.text = self._distrib_otf_file
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if self._macroscopic is None:
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# Create nuclide XML subelements
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subelements = self._get_nuclides_xml(self._nuclides,
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distrib=True)
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for subelement_nuc in subelements:
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subelement.append(subelement_nuc)
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else:
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# Create macroscopic XML subelements
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subsubelement = self._get_macroscopic_xml(self._macroscopic)
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subelement.append(subsubelement)
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# Create macroscopic XML subelements
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subelement = self._get_macroscopic_xml(self._macroscopic)
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element.append(subelement)
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if self._sab:
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for sab in self._sab:
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