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finding data_type arg automatically
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shimwell
parent
1241892e1b
commit
1a9449debc
2 changed files with 76 additions and 83 deletions
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@ -53,16 +53,15 @@ _MIN_E = 1.e-5
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_MAX_E = 20.e6
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def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
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axis=None, sab_name=None, ce_cross_sections=None,
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mg_cross_sections=None, enrichment=None, plot_CE=True, orders=None,
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divisor_orders=None, **kwargs):
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def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
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sab_name=None, ce_cross_sections=None, mg_cross_sections=None,
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enrichment=None, plot_CE=True, orders=None, divisor_orders=None):
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"""Creates a figure of continuous-energy cross sections for this item.
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Parameters
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----------
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this : str or openmc.Material
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Object to source data from
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this : {str, openmc.Nuclide, openmc.Element, openmc.Macroscopic, openmc.Material}
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Object to source data from. Nuclides and Elements can be input as a str
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types : Iterable of values of PLOT_TYPES
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The type of cross sections to include in the plot.
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divisor_types : Iterable of values of PLOT_TYPES, optional
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@ -74,9 +73,6 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
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temperature of 294K will be plotted. Note that the nearest
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temperature in the library for each nuclide will be used as opposed
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to using any interpolation.
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data_type : {'nuclide', 'element', 'material', 'macroscopic'}, optional
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Type of object to plot. If not specified, a guess is made based on the
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`this` argument.
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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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@ -101,9 +97,6 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
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multi-group data.
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divisor_orders : Iterable of Integral, optional
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Same as orders, but for divisor_types
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**kwargs
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All keyword arguments are passed to
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:func:`matplotlib.pyplot.figure`.
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Returns
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-------
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@ -117,27 +110,11 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
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import matplotlib.pyplot as plt
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cv.check_type("plot_CE", plot_CE, bool)
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if data_type is None:
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if isinstance(this, openmc.Nuclide):
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data_type = 'nuclide'
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elif isinstance(this, openmc.Element):
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data_type = 'element'
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elif isinstance(this, openmc.Material):
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data_type = 'material'
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elif isinstance(this, openmc.Macroscopic):
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data_type = 'macroscopic'
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elif isinstance(this, str):
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if this[-1] in string.digits:
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data_type = 'nuclide'
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else:
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data_type = 'element'
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else:
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raise TypeError("Invalid type for plotting")
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cv.check_type("this", this, (str, openmc.Nuclide, openmc.Element, openmc.Material))
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if plot_CE:
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# Calculate for the CE cross sections
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E, data = calculate_cexs(this, data_type, types, temperature, sab_name,
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E, data = calculate_cexs(this, types, temperature, sab_name,
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ce_cross_sections, enrichment)
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if divisor_types:
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cv.check_length('divisor types', divisor_types, len(types))
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@ -160,13 +137,13 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
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data = data_new
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else:
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# Calculate for MG cross sections
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E, data = calculate_mgxs(this, data_type, types, orders, temperature,
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E, data = calculate_mgxs(this, types, orders, temperature,
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mg_cross_sections, ce_cross_sections,
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enrichment)
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if divisor_types:
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cv.check_length('divisor types', divisor_types, len(types))
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Ediv, data_div = calculate_mgxs(this, data_type, divisor_types,
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Ediv, data_div = calculate_mgxs(this, divisor_types,
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divisor_orders, temperature,
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mg_cross_sections,
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ce_cross_sections, enrichment)
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@ -201,23 +178,35 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
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ax.set_xlim(_MIN_E, _MAX_E)
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else:
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ax.set_xlim(E[-1], E[0])
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if isinstance(this, str):
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# first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
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if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
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this = openmc.Element(this)
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else:
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this = openmc.Nuclide(this)
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if divisor_types:
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if data_type == 'nuclide':
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if isinstance(this, openmc.Nuclide):
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ylabel = 'Nuclidic Microscopic Data'
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elif data_type == 'element':
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elif isinstance(this, openmc.Element):
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ylabel = 'Elemental Microscopic Data'
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elif data_type == 'material' or data_type == 'macroscopic':
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elif isinstance(this, openmc.Material) or isinstance(this, openmc.Macroscopic):
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ylabel = 'Macroscopic Data'
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else:
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raise TypeError("Invalid type for plotting")
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else:
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if data_type == 'nuclide':
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if isinstance(this, openmc.Nuclide):
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ylabel = 'Microscopic Cross Section [b]'
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elif data_type == 'element':
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elif isinstance(this, openmc.Element):
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ylabel = 'Elemental Cross Section [b]'
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elif data_type == 'material' or data_type == 'macroscopic':
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elif isinstance(this, openmc.Material) or isinstance(this, openmc.Macroscopic):
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ylabel = 'Macroscopic Cross Section [1/cm]'
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else:
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raise TypeError("Invalid type for plotting")
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ax.set_ylabel(ylabel)
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ax.legend(loc='best')
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name = this.name if data_type == 'material' else this
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name = this.name if isinstance(this, openmc.Material) else this
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if len(types) > 1:
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ax.set_title('Cross Sections for ' + name)
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else:
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@ -226,16 +215,14 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
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return fig
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def calculate_cexs(this, data_type, types, temperature=294., sab_name=None,
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def calculate_cexs(this, types, temperature=294., sab_name=None,
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cross_sections=None, enrichment=None):
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"""Calculates continuous-energy cross sections of a requested type.
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Parameters
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----------
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this : {str, openmc.Nuclide, openmc.Element, openmc.Material}
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Object to source data from
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data_type : {'nuclide', 'element', 'material'}
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Type of object to plot
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Object to source data from. Nuclides and Elements can be input as a str
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types : Iterable of values of PLOT_TYPES
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The type of cross sections to calculate
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temperature : float, optional
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@ -262,39 +249,46 @@ def calculate_cexs(this, data_type, types, temperature=294., sab_name=None,
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"""
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# Check types
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cv.check_type('this', this, (str, openmc.Nuclide, openmc.Element, openmc.Material))
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cv.check_type('temperature', temperature, Real)
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if sab_name:
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cv.check_type('sab_name', sab_name, str)
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if enrichment:
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cv.check_type('enrichment', enrichment, Real)
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if data_type == 'nuclide':
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if isinstance(this, str):
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nuc = openmc.Nuclide(this)
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# this is a nuclide or element if it is a string
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if isinstance(this, str):
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# first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
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if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
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this = openmc.Element(this)
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else:
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nuc = this
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energy_grid, xs = _calculate_cexs_nuclide(nuc, types, temperature,
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this = openmc.Nuclide(this)
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if isinstance(this, openmc.Nuclide):
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energy_grid, xs = _calculate_cexs_nuclide(this, types, temperature,
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sab_name, cross_sections)
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# Convert xs (Iterable of Callable) to a grid of cross section values
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# calculated on the points in energy_grid for consistency with the
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# element and material functions.
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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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data[line, :] = xs[line](energy_grid)
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elif data_type == 'element':
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if isinstance(this, str):
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elem = openmc.Element(this)
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else:
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elem = this
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energy_grid, data = _calculate_cexs_elem_mat(elem, types, temperature,
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elif isinstance(this, openmc.Element):
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energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature,
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cross_sections, sab_name,
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enrichment)
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elif data_type == 'material':
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cv.check_type('this', this, openmc.Material)
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elif isinstance(this, openmc.Material):
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energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature,
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cross_sections)
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else:
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raise TypeError("Invalid type")
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msg = (
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f"{this} is an invalid type, acceptable types are str, "
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"openmc.Nuclide, openmc.Element, openmc.Material."
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)
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raise TypeError(msg)
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return energy_grid, data
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@ -583,8 +577,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
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name = nuclide[0]
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nuc = nuclide[1]
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sab_tab = sabs[name]
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temp_E, temp_xs = calculate_cexs(nuc, 'nuclide', types, T, sab_tab,
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cross_sections)
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temp_E, temp_xs = calculate_cexs(nuc, types, T, sab_tab, cross_sections)
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E.append(temp_E)
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# Since the energy grids are different, store the cross sections as
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# a tabulated function so they can be calculated on any grid needed.
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@ -611,7 +604,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
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return energy_grid, data
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def calculate_mgxs(this, data_type, types, orders=None, temperature=294.,
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def calculate_mgxs(this, types, orders=None, temperature=294.,
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cross_sections=None, ce_cross_sections=None,
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enrichment=None):
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"""Calculates multi-group cross sections of a requested type.
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@ -622,10 +615,8 @@ def calculate_mgxs(this, data_type, types, orders=None, temperature=294.,
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Parameters
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----------
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this : str or openmc.Material
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Object to source data from
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data_type : {'nuclide', 'element', 'material', 'macroscopic'}
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Type of object to plot
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this : {str, openmc.Nuclide, openmc.Element, openmc.Macroscopic, openmc.Material}
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Object to source data from. Nuclides and Elements can be input as a str
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types : Iterable of values of PLOT_TYPES_MGXS
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The type of cross sections to calculate
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orders : Iterable of Integral, optional
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@ -665,10 +656,18 @@ def calculate_mgxs(this, data_type, types, orders=None, temperature=294.,
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cv.check_type("cross_sections", cross_sections, str)
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library = openmc.MGXSLibrary.from_hdf5(cross_sections)
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if data_type in ('nuclide', 'macroscopic'):
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# this is a nuclide or element if it is a string
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if isinstance(this, str):
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# first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
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if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
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this = openmc.Element(this)
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else:
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this = openmc.Nuclide(this)
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if isinstance(this, openmc.Nuclide) or isinstance(this, openmc.Macroscopic):
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mgxs = _calculate_mgxs_nuc_macro(this, types, library, orders,
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temperature)
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elif data_type in ('element', 'material'):
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elif isinstance(this, openmc.Element) or isinstance(this, openmc.Material):
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mgxs = _calculate_mgxs_elem_mat(this, types, library, orders,
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temperature, ce_cross_sections,
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enrichment)
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@ -4,7 +4,7 @@ import pytest
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from matplotlib.figure import Figure
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@pytest.fixture(scope="module")
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@pytest.fixture(scope='module')
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def test_mat():
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mat_1 = openmc.Material()
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mat_1.add_element("H", 4.0, "ao")
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@ -12,7 +12,6 @@ def test_mat():
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mat_1.add_element("C", 4.0, "ao")
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return mat_1
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def test_calculate_cexs_elem_mat_sab(test_mat):
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"""Checks that sab cross sections are included in the
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_calculate_cexs_elem_mat method and have the correct shape"""
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@ -33,12 +32,11 @@ def test_calculate_cexs_elem_mat_sab(test_mat):
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assert len(data[0]) == len(energy_grid)
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@pytest.mark.parametrize("this,data_type", [("Li", "element"), ("Li6", "nuclide")])
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def test_calculate_cexs_with_element(this, data_type):
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@pytest.mark.parametrize("this", ["Li", "Li6", openmc.Nuclide('Li6'), openmc.Element('Li')])
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def test_calculate_cexs_with_nuclide_and_element(this):
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# single type (reaction)
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energy_grid, data = openmc.plotter.calculate_cexs(
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this=this, data_type=data_type, types=[205]
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this=this, types=[205]
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)
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assert isinstance(energy_grid, np.ndarray)
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@ -47,9 +45,9 @@ def test_calculate_cexs_with_element(this, data_type):
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assert len(data) == 1
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assert len(data[0]) == len(energy_grid)
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# two types (reaction)
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# two types (reactions)
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energy_grid, data = openmc.plotter.calculate_cexs(
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this=this, data_type=data_type, types=[2, "elastic"]
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this=this, types=[2, "elastic"]
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)
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assert isinstance(energy_grid, np.ndarray)
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@ -64,7 +62,7 @@ def test_calculate_cexs_with_element(this, data_type):
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def test_calculate_cexs_with_materials(test_mat):
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energy_grid, data = openmc.plotter.calculate_cexs(
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this=test_mat, types=[205], data_type="material"
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this=test_mat, types=[205]
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)
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assert isinstance(energy_grid, np.ndarray)
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@ -74,14 +72,10 @@ def test_calculate_cexs_with_materials(test_mat):
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assert len(data[0]) == len(energy_grid)
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@pytest.mark.parametrize(("this,data_type"), [("Be", "element"), ("Be9", "nuclide")])
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def test_plot_xs(this, data_type):
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assert isinstance(
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openmc.plotter.plot_xs(this, data_type=data_type, types=["total"]), Figure
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)
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@pytest.mark.parametrize("this", ["Be", "Be9", openmc.Nuclide('Be9'), openmc.Element('Be')])
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def test_plot_xs(this):
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assert isinstance(openmc.plotter.plot_xs(this, types=['total']), Figure)
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def test_plot_xs_mat(test_mat):
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assert isinstance(
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openmc.plotter.plot_xs(test_mat, data_type="material", types=["total"]), Figure
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)
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assert isinstance(openmc.plotter.plot_xs(test_mat, types=['total']), Figure)
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