mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-26 13:15:39 -04:00
resolved most of the comments from @samuelshaner
This commit is contained in:
Adam Nelson
parent
2a50aff588
commit
d4f4166ba7
5 changed files with 110 additions and 132 deletions
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@ -5,6 +5,7 @@ import h5py
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from openmc.mixin import EqualityMixin
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from openmc.clean_xml import clean_xml_indentation
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from openmc.checkvalue import check_type
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class DataLibrary(EqualityMixin):
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@ -95,13 +96,14 @@ class DataLibrary(EqualityMixin):
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method='xml')
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@classmethod
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def from_xml(cls, path):
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def from_xml(cls, path=None):
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"""Read cross section data library from an XML file.
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Parameters
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----------
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path : str
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Path to XML file to read.
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path : str, optional
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Path to XML file to read. If not provided, the
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`OPENMC_CROSS_SECTIONS` environment variable will be used.
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Returns
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-------
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@ -112,6 +114,18 @@ class DataLibrary(EqualityMixin):
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data = cls()
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# If cross_sections is None, get the cross sections from the
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# OPENMC_CROSS_SECTIONS environment variable
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if path is None:
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path = os.environ.get('OPENMC_CROSS_SECTIONS')
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# Check to make sure there was an environmental variable.
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if path is None:
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raise ValueError("Either path or OPENMC_CROSS_SECTIONS "
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"environmental variable must be set")
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check_type('path', path, str)
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tree = ET.parse(path)
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root = tree.getroot()
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if root.find('directory') is not None:
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@ -262,7 +262,7 @@ class Element(object):
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return isotopes
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def plot_xs(self, types, divisor_types=None, temperature=294., axis=None,
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Erange=(1.E-5, 20.E6), sab_name=None, cross_sections=None,
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energy_range=(1.E-5, 20.E6), sab_name=None, cross_sections=None,
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enrichment=None, **kwargs):
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"""Creates a figure of continuous-energy microscopic cross sections
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for this element
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@ -283,7 +283,7 @@ class Element(object):
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axis : matplotlib.axes, optional
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A previously generated axis to use for plotting. If not specified,
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a new axis and figure will be generated.
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Erange : tuple of floats
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energy_range : tuple of floats
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Energy range (in eV) to plot the cross section within
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sab_name : str, optional
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Name of S(a,b) library to apply to MT=2 data when applicable.
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@ -324,12 +324,12 @@ class Element(object):
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E = np.union1d(Enum, Ediv)
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data_new = np.zeros((len(types), len(E)))
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for l in range(len(types)):
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data_new[l, :] = \
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np.divide(np.interp(E, Enum, data[l, :]),
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np.interp(E, Ediv, data_div[l, :]))
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if divisor_types[l] != 'unity':
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types[l] = types[l] + ' / ' + divisor_types[l]
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for line in range(len(types)):
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data_new[line, :] = \
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np.divide(np.interp(E, Enum, data[line, :]),
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np.interp(E, Ediv, data_div[line, :]))
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if divisor_types[line] != 'unity':
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types[line] = types[line] + ' / ' + divisor_types[line]
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data = data_new
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# Generate the plot
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@ -339,13 +339,14 @@ class Element(object):
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else:
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fig = None
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ax = axis
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# Set to loglog or semilogx depending on if we are plotting a data
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# type which we expect to vary linearly
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if set(types).issubset(PLOT_TYPES_LINEAR):
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plot_func = ax.semilogx
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else:
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plot_func = ax.loglog
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# Plot the data
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for i in range(len(data)):
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# Set to loglog or semilogx depending on if we are plotting a data
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# type which we expect to vary linearly
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if types[i] in PLOT_TYPES_LINEAR:
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plot_func = ax.semilogx
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else:
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plot_func = ax.loglog
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if np.sum(data[i, :]) > 0.:
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print('max = {:.2E}'.format(np.max(data[i, :])))
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plot_func(E, data[i, :], label=types[i])
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@ -356,7 +357,7 @@ class Element(object):
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else:
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ax.set_ylabel('Elemental Cross Section [b]')
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ax.legend(loc='best')
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ax.set_xlim(Erange)
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ax.set_xlim(energy_range)
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if self.name is not None:
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title = 'Cross Section for ' + self.name
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ax.set_title(title)
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@ -388,11 +389,11 @@ class Element(object):
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Returns
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-------
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unionE : numpy.array
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energy_grid : numpy.array
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Energies at which cross sections are calculated, in units of eV
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data : numpy.ndarray
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Macroscopic cross sections calculated at the energy grid described
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by unionE
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by energy_grid
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"""
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@ -402,18 +403,8 @@ class Element(object):
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cv.check_iterable_type('types', types, str)
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cv.check_type('temperature', temperature, Real)
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# If cross_sections is None, get the cross sections from the
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# OPENMC_CROSS_SECTIONS environment variable
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if cross_sections is None:
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cross_sections = os.environ.get('OPENMC_CROSS_SECTIONS')
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# If a cross_sections library is present, check natural nuclides
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# against the nuclides in the library
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if cross_sections is not None:
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library = openmc.data.DataLibrary.from_xml(cross_sections)
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else:
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raise ValueError("cross_sections or OPENMC_CROSS_SECTIONS "
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"environmental variable must be set")
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# Load the library
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library = openmc.data.DataLibrary.from_xml(cross_sections)
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# Expand elements in to nuclides with atomic densities
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nuclides = self.expand(100., 'ao', enrichment=enrichment,
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@ -443,17 +434,17 @@ class Element(object):
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# Condense the data for every nuclide
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# First create a union energy grid
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unionE = E[0]
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energy_grid = E[0]
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for n in range(1, len(E)):
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unionE = np.union1d(unionE, E[n])
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energy_grid = np.union1d(energy_grid, E[n])
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# Now we can combine all the nuclidic data
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data = np.zeros((len(types), len(unionE)))
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for l in range(len(types)):
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if types[l] == 'unity':
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data[l, :] = 1.
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data = np.zeros((len(types), len(energy_grid)))
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for line in range(len(types)):
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if types[line] == 'unity':
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data[line, :] = 1.
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else:
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for n in range(len(nuclides)):
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data[l, :] += nuc_fractions[n] * xs[n][l](unionE)
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data[line, :] += nuc_fractions[n] * xs[n][line](energy_grid)
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return unionE, data
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return energy_grid, data
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@ -627,20 +627,8 @@ class Material(object):
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import scipy.constants as sc
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cv.check_type('cross_sections', cross_sections, str)
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# If cross_sections is None, get the cross sections from the
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# OPENMC_CROSS_SECTIONS environment variable
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if cross_sections is None:
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cross_sections = os.environ.get('OPENMC_CROSS_SECTIONS')
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# If a cross_sections library is present, check natural nuclides
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# against the nuclides in the library
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if cross_sections is not None:
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library = openmc.data.DataLibrary.from_xml(cross_sections)
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else:
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raise ValueError("cross_sections or OPENMC_CROSS_SECTIONS "
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"environmental variable must be set")
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# Load the library
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library = openmc.data.DataLibrary.from_xml(cross_sections)
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# Expand elements in to nuclides
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nuclides = self.get_nuclide_densities()
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@ -704,15 +692,13 @@ class Material(object):
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nuc_densities = density * nuc_densities
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nuclides = OrderedDict()
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n = -1
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for nuc in nucs:
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n += 1
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for n, nuc in enumerate(nucs):
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nuclides[nuc] = (nuc, nuc_densities[n])
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return nuclides
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def plot_xs(self, types, divisor_types=None, temperature=294.,
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axis=None, Erange=(1.E-5, 20.E6), cross_sections=None,
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axis=None, energy_range=(1.E-5, 20.E6), cross_sections=None,
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**kwargs):
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"""Creates a figure of continuous-energy macroscopic cross sections
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for this material
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@ -733,7 +719,7 @@ class Material(object):
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axis : matplotlib.axes, optional
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A previously generated axis to use for plotting. If not specified,
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a new axis and figure will be generated.
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Erange : tuple of floats, optional
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energy_range : tuple of floats, optional
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Energy range (in eV) to plot the cross section within
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cross_sections : str, optional
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Location of cross_sections.xml file. Default is None.
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@ -767,12 +753,12 @@ class Material(object):
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E = np.union1d(Enum, Ediv)
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data_new = np.zeros((len(types), len(E)))
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for l in range(len(types)):
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data_new[l, :] = \
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np.divide(np.interp(E, Enum, data[l, :]),
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np.interp(E, Ediv, data_div[l, :]))
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if divisor_types[l] != 'unity':
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types[l] = types[l] + ' / ' + divisor_types[l]
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for line in range(len(types)):
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data_new[line, :] = \
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np.divide(np.interp(E, Enum, data[line, :]),
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np.interp(E, Ediv, data_div[line, :]))
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if divisor_types[line] != 'unity':
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types[line] = types[line] + ' / ' + divisor_types[line]
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data = data_new
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# Generate the plot
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@ -782,13 +768,14 @@ class Material(object):
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else:
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fig = None
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ax = axis
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# Set to loglog or semilogx depending on if we are plotting a data
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# type which we expect to vary linearly
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if set(types).issubset(PLOT_TYPES_LINEAR):
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plot_func = ax.semilogx
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else:
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plot_func = ax.loglog
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# Plot the data
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for i in range(len(data)):
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# Set to loglog or semilogx depending on if we are plotting a data
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# type which we expect to vary linearly
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if types[i] in PLOT_TYPES_LINEAR:
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plot_func = ax.semilogx
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else:
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plot_func = ax.loglog
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if np.sum(data[i, :]) > 0.:
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plot_func(E, data[i, :], label=types[i])
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@ -798,7 +785,7 @@ class Material(object):
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else:
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ax.set_ylabel('Macroscopic Cross Section [1/cm]')
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ax.legend(loc='best')
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ax.set_xlim(Erange)
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ax.set_xlim(energy_range)
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if self.name is not None:
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title = 'Macroscopic Cross Section for ' + self.name
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ax.set_title(title)
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@ -823,11 +810,11 @@ class Material(object):
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Returns
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-------
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unionE : numpy.array
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energy_grid : numpy.array
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Energies at which cross sections are calculated, in units of eV
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data : numpy.ndarray
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Macroscopic cross sections calculated at the energy grid described
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by unionE
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by energy_grid
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"""
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@ -840,18 +827,8 @@ class Material(object):
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cv.check_type('temperature', temperature, Real)
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T = temperature
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# If cross_sections is None, get the cross sections from the
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# OPENMC_CROSS_SECTIONS environment variable
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if cross_sections is None:
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cross_sections = os.environ.get('OPENMC_CROSS_SECTIONS')
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# If a cross_sections library is present, check natural nuclides
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# against the nuclides in the library
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if cross_sections is not None:
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library = openmc.data.DataLibrary.from_xml(cross_sections)
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else:
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raise ValueError("cross_sections or OPENMC_CROSS_SECTIONS "
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"environmental variable must be set")
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# Load the library
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library = openmc.data.DataLibrary.from_xml(cross_sections)
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# Expand elements in to nuclides with atomic densities
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nuclides = self.get_nuclide_atom_densities(cross_sections)
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@ -881,20 +858,20 @@ class Material(object):
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# Condense the data for every nuclide
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# First create a union energy grid
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unionE = E[0]
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energy_grid = E[0]
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for n in range(1, len(E)):
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unionE = np.union1d(unionE, E[n])
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energy_grid = np.union1d(energy_grid, E[n])
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# Now we can combine all the nuclidic data
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data = np.zeros((len(types), len(unionE)))
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for l in range(len(types)):
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if types[l] == 'unity':
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data[l, :] = 1.
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data = np.zeros((len(types), len(energy_grid)))
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for line in range(len(types)):
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if types[line] == 'unity':
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data[line, :] = 1.
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else:
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for n in range(len(nuclides)):
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data[l, :] += nuc_densities[n] * xs[n][l](unionE)
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data[line, :] += nuc_densities[n] * xs[n][line](energy_grid)
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return unionE, data
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return energy_grid, data
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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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@ -98,10 +98,9 @@ class Nuclide(object):
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self._scattering = scattering
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def plot_xs(self, types, divisor_types=None, temperature=294., axis=None,
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Erange=(1.E-5, 20.E6), sab_name=None, cross_sections=None,
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energy_range=(1.E-5, 20.E6), sab_name=None, cross_sections=None,
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**kwargs):
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"""Creates a figure of continuous-energy cross sections for this
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nuclide
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"""Creates a figure of continuous-energy cross sections for this nuclide
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Parameters
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----------
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@ -119,7 +118,7 @@ class Nuclide(object):
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axis : matplotlib.axes, optional
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A previously generated axis to use for plotting. If not specified,
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a new axis and figure will be generated.
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Erange : tuple of floats
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energy_range : tuple of floats
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Energy range (in eV) to plot the cross section within
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sab_name : str, optional
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Name of S(a,b) library to apply to MT=2 data when applicable.
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@ -156,11 +155,12 @@ class Nuclide(object):
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E = np.union1d(Enum, Ediv)
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data_new = []
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for l in range(len(types)):
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data_new.append(openmc.data.Combination([data[l], data_div[l]],
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for line in range(len(types)):
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data_new.append(openmc.data.Combination([data[line],
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data_div[line]],
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[np.divide]))
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if divisor_types[l] != 'unity':
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types[l] = types[l] + ' / ' + divisor_types[l]
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if divisor_types[line] != 'unity':
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types[line] = types[line] + ' / ' + divisor_types[line]
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data = data_new
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# Generate the plot
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@ -170,14 +170,15 @@ class Nuclide(object):
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else:
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fig = None
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ax = axis
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# Set to loglog or semilogx depending on if we are plotting a data
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# type which we expect to vary linearly
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if set(types).issubset(PLOT_TYPES_LINEAR):
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plot_func = ax.semilogx
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else:
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plot_func = ax.loglog
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# Plot the data
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for i in range(len(data)):
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to_plot = data[i](E)
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# Set to loglog or semilogx depending on if we are plotting a data
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# type which we expect to vary linearly
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if types[i] in PLOT_TYPES_LINEAR:
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plot_func = ax.semilogx
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else:
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plot_func = ax.loglog
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if np.sum(to_plot) > 0.:
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plot_func(E, to_plot, label=types[i])
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@ -187,7 +188,7 @@ class Nuclide(object):
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else:
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ax.set_ylabel('Microscopic Cross Section [b]')
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ax.legend(loc='best')
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ax.set_xlim(Erange)
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ax.set_xlim(energy_range)
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if self.name is not None:
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title = 'Microscopic Cross Section for ' + self.name
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ax.set_title(title)
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@ -216,10 +217,11 @@ class Nuclide(object):
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Returns
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-------
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E : numpy.array
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energy_grid : numpy.array
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Energies at which cross sections are calculated, in units of eV
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data : numpy.ndarray
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Cross sections calculated at the energy grid described by unionE
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Cross sections calculated at the energy grid described by
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energy_grid
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"""
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@ -246,18 +248,8 @@ class Nuclide(object):
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yields.append((False,))
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ops.append(())
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# If cross_sections is None, get the cross sections from the
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# OPENMC_CROSS_SECTIONS environment variable
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if cross_sections is None:
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cross_sections = os.environ.get('OPENMC_CROSS_SECTIONS')
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# If a cross_sections library is present, check natural nuclides
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# against the nuclides in the library
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if cross_sections is not None:
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library = openmc.data.DataLibrary.from_xml(cross_sections)
|
||||
else:
|
||||
raise ValueError("cross_sections or OPENMC_CROSS_SECTIONS "
|
||||
"environmental variable must be set")
|
||||
# Load the library
|
||||
library = openmc.data.DataLibrary.from_xml(cross_sections)
|
||||
|
||||
# Convert temperature to format needed for access in the library
|
||||
cv.check_type('temperature', temperature, Real)
|
||||
|
|
@ -265,7 +257,7 @@ class Nuclide(object):
|
|||
T = temperature
|
||||
|
||||
# Now we can create the data sets to be plotted
|
||||
E = []
|
||||
energy_grid = []
|
||||
xs = []
|
||||
lib = library.get_by_material(self.name)
|
||||
if lib is not None:
|
||||
|
|
@ -325,9 +317,9 @@ class Nuclide(object):
|
|||
if inelastic.x[-1] > sab_Emax:
|
||||
sab_Emax = inelastic.x[-1]
|
||||
sab_funcs.append(inelastic)
|
||||
E = grid
|
||||
energy_grid = grid
|
||||
else:
|
||||
E = nuc.energy[nucT]
|
||||
energy_grid = nuc.energy[nucT]
|
||||
|
||||
for i, mt_set in enumerate(mts):
|
||||
# Get the reaction xs data from the nuclide
|
||||
|
|
@ -385,4 +377,4 @@ class Nuclide(object):
|
|||
else:
|
||||
raise ValueError(nuclide[0] + " not in library")
|
||||
|
||||
return E, xs
|
||||
return energy_grid, xs
|
||||
|
|
|
|||
|
|
@ -3,7 +3,7 @@ import numpy as np
|
|||
# Supported keywords for material xs plotting
|
||||
PLOT_TYPES = ['total', 'scatter', 'elastic', 'inelastic', 'fission',
|
||||
'absorption', 'capture', 'nu-fission', 'nu-scatter', 'unity',
|
||||
'slowing-down power']
|
||||
'slowing-down power', 'damage']
|
||||
|
||||
# Special MT values
|
||||
UNITY_MT = -1
|
||||
|
|
@ -44,7 +44,8 @@ PLOT_TYPES_MT = {'total': (2, 3,),
|
|||
167, 168, 169, 170, 171, 172, 173, 174,
|
||||
175, 176, 177, 178, 179, 180, 181, 183,
|
||||
184, 190, 194, 196, 198, 199, 200, 875,
|
||||
891, XI_MT)}
|
||||
891, XI_MT),
|
||||
'damage': (444,)}
|
||||
# Operations to use when combining MTs the first np.add is used in reference
|
||||
# to zero
|
||||
PLOT_TYPES_OP = {'total': (np.add,),
|
||||
|
|
@ -56,7 +57,8 @@ PLOT_TYPES_OP = {'total': (np.add,),
|
|||
'nu-scatter': (np.add,) * (len(PLOT_TYPES_MT['nu-scatter']) - 1),
|
||||
'unity': (),
|
||||
'slowing-down power':
|
||||
(np.add,) * (len(PLOT_TYPES_MT['slowing-down power']) - 2) + (np.multiply,)}
|
||||
(np.add,) * (len(PLOT_TYPES_MT['slowing-down power']) - 2) + (np.multiply,),
|
||||
'damage': ()}
|
||||
|
||||
# Whether or not to multiply the reaction by the yield as well
|
||||
PLOT_TYPES_YIELD = {'total': (False, False),
|
||||
|
|
@ -68,7 +70,9 @@ PLOT_TYPES_YIELD = {'total': (False, False),
|
|||
'nu-scatter': (True,) * len(PLOT_TYPES_MT['nu-scatter']),
|
||||
'unity': (False,),
|
||||
'slowing-down power':
|
||||
(True,) * len(PLOT_TYPES_MT['slowing-down power'])}
|
||||
(True,) * len(PLOT_TYPES_MT['slowing-down power']),
|
||||
'damage': (False,)}
|
||||
|
||||
# Types of plots to plot linearly in y
|
||||
PLOT_TYPES_LINEAR = ['nu-fission / fission', 'nu-scatter / scatter']
|
||||
PLOT_TYPES_LINEAR = {'nu-fission / fission', 'nu-scatter / scatter',
|
||||
'nu-fission / absorption', 'fission / absorption'}
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue