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Allow multiple temperatures to be used in a material
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Paul Romano
parent
69f2bc10a8
commit
933fdd3c81
1 changed files with 44 additions and 51 deletions
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@ -50,14 +50,14 @@ class Material(object):
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Units used for `density`. Can be one of 'g/cm3', 'g/cc', 'kg/cm3',
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'atom/b-cm', 'atom/cm3', 'sum', or 'macro'. The 'macro' unit only
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applies in the case of a multi-group calculation.
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elements : collections.OrderedDict
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Dictionary whose keys are element names and values are 3-tuples
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consisting of an :class:`openmc.Element` instance, the percent density,
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and the percent type (atom or weight fraction).
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nuclides : collections.OrderedDict
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Dictionary whose keys are nuclide names and values are 3-tuples
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consisting of an :class:`openmc.Nuclide` instance, the percent density,
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and the percent type (atom or weight fraction).
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elements : list of tuple
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List in which each item is a 3-tuple consisting of an
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:class:`openmc.Element` instance, the percent density, and the percent
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type ('ao' or 'wo').
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nuclides : list of tuple
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List in which each item is a 3-tuple consisting of an
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:class:`openmc.Nuclide` instance, the percent density, and the percent
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type ('ao' or 'wo').
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"""
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@ -68,19 +68,15 @@ class Material(object):
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self._density = None
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self._density_units = ''
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# An ordered dictionary of Nuclides (order affects OpenMC results)
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# Keys - Nuclide names
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# Values - tuple (nuclide, percent, percent type)
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self._nuclides = OrderedDict()
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# A list of tuples (nuclide, percent, percent type)
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self._nuclides = []
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# The single instance of Macroscopic data present in this material
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# (only one is allowed, hence this is different than _nuclides, etc)
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self._macroscopic = None
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# An ordered dictionary of Elements (order affects OpenMC results)
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# Keys - Element names
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# Values - tuple (element, percent, percent type)
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self._elements = OrderedDict()
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# A list of tuples (element, percent, percent type)
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self._elements = []
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# If specified, a list of tuples of (table name, xs identifier)
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self._sab = []
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@ -134,10 +130,8 @@ class Material(object):
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string += '{0: <16}\n'.format('\tNuclides')
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for nuclide in self._nuclides:
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percent = self._nuclides[nuclide][1]
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percent_type = self._nuclides[nuclide][2]
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string += '{0: <16}'.format('\t{0}'.format(nuclide))
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for nuclide, percent, percent_type in self._nuclides:
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string += '{0: <16}'.format('\t{0.name}.{0.xs}'.format(nuclide))
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string += '=\t{0: <12} [{1}]\n'.format(percent, percent_type)
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if self._macroscopic is not None:
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@ -146,10 +140,8 @@ class Material(object):
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string += '{0: <16}\n'.format('\tElements')
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for element in self._elements:
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percent = self._elements[element][1]
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percent_type = self._elements[element][2]
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string += '{0: <16}'.format('\t{0}'.format(element))
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for element, percent, percent_type in self._elements:
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string += '{0: <16}'.format('\t{0.name}.{0.xs}'.format(element))
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string += '=\t{0: <12} [{1}]\n'.format(percent, percent_type)
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return string
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@ -301,7 +293,7 @@ class Material(object):
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else:
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nuclide = openmc.Nuclide(nuclide)
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self._nuclides[nuclide._name] = (nuclide, percent, percent_type)
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self._nuclides.append((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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@ -319,8 +311,9 @@ class Material(object):
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raise ValueError(msg)
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# If the Material contains the Nuclide, delete it
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if nuclide._name in self._nuclides:
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del self._nuclides[nuclide._name]
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for nuc in self._nuclides:
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if nuclide == nuc:
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self._nuclides.remove(nuc)
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def add_macroscopic(self, macroscopic):
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"""Add a macroscopic to the material. This will also set the
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@ -439,10 +432,9 @@ class Material(object):
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raise NotImplementedError('Expanding natural element based on '
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'weight percent is not yet supported.')
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for isotope, abundance in element.expand():
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self._nuclides[isotope.name] = (
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isotope, percent*abundance, percent_type)
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self._nuclides.append((isotope, percent*abundance, percent_type))
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else:
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self._elements[element.name] = (element, percent, percent_type)
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self._elements.append((element, percent, percent_type))
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def remove_element(self, element):
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"""Remove a natural element from the material
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@ -454,9 +446,15 @@ class Material(object):
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"""
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# If the Material contains the Element, delete it
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if element._name in self._elements:
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del self._elements[element._name]
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if not isinstance(nuclide, openmc.Element):
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msg = 'Unable to remove "{0}" in Material ID="{1}" ' \
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'since it is not an Element'.format(self.id, element)
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raise ValueError(msg)
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# If the Material contains the Nuclide, delete it
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for elm in self._elements:
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if element == elm:
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self._nuclides.remove(elm)
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def add_s_alpha_beta(self, name, xs):
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r"""Add an :math:`S(\alpha,\beta)` table to the material
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@ -488,10 +486,10 @@ class Material(object):
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self._sab.append((name, xs))
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def make_isotropic_in_lab(self):
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for nuclide_name in self._nuclides:
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self._nuclides[nuclide_name][0].scattering = 'iso-in-lab'
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for element_name in self._elements:
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self._elements[element_name][0].scattering = 'iso-in-lab'
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for nuclide, percent, percent_type in self._nuclides:
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nuclide.scattering = 'iso-in-lab'
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for element, percent, percent_type in self._elements:
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element.scattering = 'iso-in-lab'
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def get_all_nuclides(self):
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"""Returns all nuclides in the material
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@ -506,15 +504,10 @@ class Material(object):
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nuclides = OrderedDict()
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for nuclide_name, nuclide_tuple in self._nuclides.items():
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nuclide = nuclide_tuple[0]
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density = nuclide_tuple[1]
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nuclides[nuclide._name] = (nuclide, density)
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for element_name, element_tuple in self._elements.items():
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element = element_tuple[0]
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density = element_tuple[1]
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for nuclide, density, density_type in self._nuclides:
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nuclides[nuclide.name] = (nuclide, density)
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for element, density, density_type in self._elements:
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# Expand natural element into isotopes
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for isotope, abundance in element.expand():
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nuclides[isotope.name] = (isotope, density*abundance)
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@ -523,7 +516,7 @@ class Material(object):
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def _get_nuclide_xml(self, nuclide, distrib=False):
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xml_element = ET.Element("nuclide")
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xml_element.set("name", nuclide[0]._name)
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xml_element.set("name", nuclide[0].name)
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if not distrib:
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if nuclide[2] == 'ao':
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@ -550,7 +543,7 @@ class Material(object):
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def _get_element_xml(self, element, distrib=False):
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xml_element = ET.Element("element")
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xml_element.set("name", str(element[0]._name))
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xml_element.set("name", str(element[0].name))
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if not distrib:
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if element[2] == 'ao':
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@ -569,7 +562,7 @@ class Material(object):
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def _get_nuclides_xml(self, nuclides, distrib=False):
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xml_elements = []
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for nuclide in nuclides.values():
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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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return xml_elements
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@ -577,7 +570,7 @@ class Material(object):
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def _get_elements_xml(self, elements, distrib=False):
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xml_elements = []
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for element in elements.values():
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for element in elements:
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xml_elements.append(self._get_element_xml(element, distrib))
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return xml_elements
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@ -625,7 +618,7 @@ class Material(object):
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subelement = ET.SubElement(element, "compositions")
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comps = []
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allnucs = self._nuclides.values() + self._elements.values()
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allnucs = self._nuclides + self._elements
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dist_per_type = allnucs[0][2]
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for nuc, per, typ in allnucs:
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if not typ == dist_per_type:
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@ -820,4 +813,4 @@ class Materials(cv.CheckedList):
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# Write the XML Tree to the materials.xml file
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tree = ET.ElementTree(self._materials_file)
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tree.write("materials.xml", xml_declaration=True,
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encoding='utf-8', method="xml")
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encoding='utf-8', method="xml")
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