diff --git a/docs/source/pythonapi/examples/mgxs-part-iv.ipynb b/docs/source/pythonapi/examples/mgxs-part-iv.ipynb index e1d61cedc..4b73cf3ca 100644 --- a/docs/source/pythonapi/examples/mgxs-part-iv.ipynb +++ b/docs/source/pythonapi/examples/mgxs-part-iv.ipynb @@ -433,7 +433,7 @@ "outputs": [ { "data": { - "image/png": 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"text/plain": [ "" ] @@ -724,7 +724,7 @@ " License: http://openmc.readthedocs.io/en/latest/license.html\n", " Version: 0.7.1\n", " Git SHA1: 058ba68895a2f880402fda3d58cfb14b162931d9\n", - " Date/Time: 2016-05-17 05:32:34\n", + " Date/Time: 2016-05-17 21:14:05\n", " OpenMP Threads: 4\n", "\n", " ===========================================================================\n", @@ -811,20 +811,20 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 1.4400E+00 seconds\n", - " Reading cross sections = 1.1340E+00 seconds\n", - " Total time in simulation = 1.8207E+01 seconds\n", - " Time in transport only = 1.8125E+01 seconds\n", - " Time in inactive batches = 2.1170E+00 seconds\n", - " Time in active batches = 1.6090E+01 seconds\n", - " Time synchronizing fission bank = 3.0000E-03 seconds\n", - " Sampling source sites = 2.0000E-03 seconds\n", - " SEND/RECV source sites = 1.0000E-03 seconds\n", - " Time accumulating tallies = 1.0000E-03 seconds\n", + " Total time for initialization = 1.4530E+00 seconds\n", + " Reading cross sections = 1.1470E+00 seconds\n", + " Total time in simulation = 1.8747E+01 seconds\n", + " Time in transport only = 1.8639E+01 seconds\n", + " Time in inactive batches = 2.1690E+00 seconds\n", + " Time in active batches = 1.6578E+01 seconds\n", + " Time synchronizing fission bank = 6.0000E-03 seconds\n", + " Sampling source sites = 4.0000E-03 seconds\n", + " SEND/RECV source sites = 2.0000E-03 seconds\n", + " Time accumulating tallies = 0.0000E+00 seconds\n", " Total time for finalization = 0.0000E+00 seconds\n", - " Total time elapsed = 1.9657E+01 seconds\n", - " Calculation Rate (inactive) = 23618.3 neutrons/second\n", - " Calculation Rate (active) = 12430.1 neutrons/second\n", + " Total time elapsed = 2.0209E+01 seconds\n", + " Calculation Rate (inactive) = 23052.1 neutrons/second\n", + " Calculation Rate (active) = 12064.2 neutrons/second\n", "\n", " ============================> RESULTS <============================\n", "\n", @@ -1099,7 +1099,7 @@ " License: http://openmc.readthedocs.io/en/latest/license.html\n", " Version: 0.7.1\n", " Git SHA1: 058ba68895a2f880402fda3d58cfb14b162931d9\n", - " Date/Time: 2016-05-17 05:32:54\n", + " Date/Time: 2016-05-17 21:14:26\n", " OpenMP Threads: 4\n", "\n", " ===========================================================================\n", @@ -1124,56 +1124,56 @@ "\n", " Bat./Gen. k Average k \n", " ========= ======== ==================== \n", - " 1/1 1.02235 \n", - " 2/1 1.01108 \n", - " 3/1 1.02801 \n", - " 4/1 1.01404 \n", - " 5/1 1.03423 \n", - " 6/1 1.03282 \n", - " 7/1 1.04060 \n", - " 8/1 1.01152 \n", - " 9/1 1.02063 \n", - " 10/1 1.02604 \n", - " 11/1 1.02137 \n", - " 12/1 1.01416 1.01776 +/- 0.00360\n", - " 13/1 1.00239 1.01264 +/- 0.00553\n", - " 14/1 1.04293 1.02021 +/- 0.00852\n", - " 15/1 1.02029 1.02023 +/- 0.00660\n", - " 16/1 1.01512 1.01938 +/- 0.00546\n", - " 17/1 1.02098 1.01960 +/- 0.00462\n", - " 18/1 1.05954 1.02460 +/- 0.00640\n", - " 19/1 1.02347 1.02447 +/- 0.00564\n", - " 20/1 1.03063 1.02509 +/- 0.00508\n", - " 21/1 1.04679 1.02706 +/- 0.00500\n", - " 22/1 1.01301 1.02589 +/- 0.00472\n", - " 23/1 1.00936 1.02462 +/- 0.00452\n", - " 24/1 1.01030 1.02360 +/- 0.00431\n", - " 25/1 1.03799 1.02456 +/- 0.00412\n", - " 26/1 1.00404 1.02327 +/- 0.00406\n", - " 27/1 1.02987 1.02366 +/- 0.00384\n", - " 28/1 1.00107 1.02241 +/- 0.00383\n", - " 29/1 1.01460 1.02200 +/- 0.00365\n", - " 30/1 1.01433 1.02161 +/- 0.00348\n", - " 31/1 1.01566 1.02133 +/- 0.00332\n", - " 32/1 1.03339 1.02188 +/- 0.00321\n", - " 33/1 1.03974 1.02265 +/- 0.00317\n", - " 34/1 1.03136 1.02302 +/- 0.00306\n", - " 35/1 1.05175 1.02417 +/- 0.00315\n", - " 36/1 1.05444 1.02533 +/- 0.00324\n", - " 37/1 1.02432 1.02529 +/- 0.00312\n", - " 38/1 1.01464 1.02491 +/- 0.00303\n", - " 39/1 1.01086 1.02443 +/- 0.00296\n", - " 40/1 1.02492 1.02444 +/- 0.00286\n", - " 41/1 1.02882 1.02459 +/- 0.00277\n", - " 42/1 1.00377 1.02394 +/- 0.00276\n", - " 43/1 0.97480 1.02245 +/- 0.00306\n", - " 44/1 1.03623 1.02285 +/- 0.00300\n", - " 45/1 1.02606 1.02294 +/- 0.00291\n", - " 46/1 1.01771 1.02280 +/- 0.00284\n", - " 47/1 1.05400 1.02364 +/- 0.00288\n", - " 48/1 1.01844 1.02350 +/- 0.00281\n", - " 49/1 1.00754 1.02309 +/- 0.00277\n", - " 50/1 1.02902 1.02324 +/- 0.00270\n", + " 1/1 1.06913 \n", + " 2/1 1.04067 \n", + " 3/1 1.01854 \n", + " 4/1 1.00203 \n", + " 5/1 1.03243 \n", + " 6/1 1.02688 \n", + " 7/1 1.06855 \n", + " 8/1 1.03420 \n", + " 9/1 1.01657 \n", + " 10/1 1.02795 \n", + " 11/1 1.01796 \n", + " 12/1 1.03372 1.02584 +/- 0.00788\n", + " 13/1 1.02433 1.02534 +/- 0.00458\n", + " 14/1 1.01147 1.02187 +/- 0.00474\n", + " 15/1 1.01215 1.01993 +/- 0.00416\n", + " 16/1 1.04088 1.02342 +/- 0.00487\n", + " 17/1 1.04033 1.02583 +/- 0.00477\n", + " 18/1 1.04483 1.02821 +/- 0.00477\n", + " 19/1 1.02870 1.02826 +/- 0.00420\n", + " 20/1 1.01339 1.02678 +/- 0.00404\n", + " 21/1 1.03389 1.02742 +/- 0.00371\n", + " 22/1 1.02535 1.02725 +/- 0.00340\n", + " 23/1 1.00225 1.02533 +/- 0.00367\n", + " 24/1 0.99938 1.02347 +/- 0.00387\n", + " 25/1 1.01620 1.02299 +/- 0.00363\n", + " 26/1 1.03393 1.02367 +/- 0.00347\n", + " 27/1 1.01875 1.02338 +/- 0.00327\n", + " 28/1 1.00305 1.02225 +/- 0.00328\n", + " 29/1 1.01453 1.02185 +/- 0.00313\n", + " 30/1 1.02891 1.02220 +/- 0.00299\n", + " 31/1 0.99612 1.02096 +/- 0.00311\n", + " 32/1 1.04911 1.02224 +/- 0.00323\n", + " 33/1 1.01410 1.02188 +/- 0.00310\n", + " 34/1 0.98979 1.02055 +/- 0.00326\n", + " 35/1 1.00938 1.02010 +/- 0.00316\n", + " 36/1 1.02857 1.02043 +/- 0.00305\n", + " 37/1 1.04095 1.02119 +/- 0.00303\n", + " 38/1 1.02033 1.02115 +/- 0.00292\n", + " 39/1 1.02104 1.02115 +/- 0.00282\n", + " 40/1 1.00854 1.02073 +/- 0.00276\n", + " 41/1 1.00932 1.02036 +/- 0.00269\n", + " 42/1 1.00284 1.01982 +/- 0.00266\n", + " 43/1 1.02489 1.01997 +/- 0.00258\n", + " 44/1 1.03981 1.02055 +/- 0.00257\n", + " 45/1 1.02630 1.02072 +/- 0.00251\n", + " 46/1 1.00133 1.02018 +/- 0.00249\n", + " 47/1 1.02409 1.02028 +/- 0.00243\n", + " 48/1 1.03928 1.02078 +/- 0.00241\n", + " 49/1 1.01226 1.02057 +/- 0.00236\n", + " 50/1 1.03536 1.02094 +/- 0.00233\n", " Creating state point statepoint.50.h5...\n", "\n", " ===========================================================================\n", @@ -1183,27 +1183,27 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 4.7000E-02 seconds\n", - " Reading cross sections = 6.0000E-03 seconds\n", - " Total time in simulation = 1.4145E+01 seconds\n", - " Time in transport only = 1.4098E+01 seconds\n", - " Time in inactive batches = 1.2400E+00 seconds\n", - " Time in active batches = 1.2905E+01 seconds\n", - " Time synchronizing fission bank = 4.0000E-03 seconds\n", - " Sampling source sites = 3.0000E-03 seconds\n", - " SEND/RECV source sites = 1.0000E-03 seconds\n", - " Time accumulating tallies = 1.0000E-03 seconds\n", + " Total time for initialization = 4.6000E-02 seconds\n", + " Reading cross sections = 8.0000E-03 seconds\n", + " Total time in simulation = 1.4524E+01 seconds\n", + " Time in transport only = 1.4457E+01 seconds\n", + " Time in inactive batches = 1.3350E+00 seconds\n", + " Time in active batches = 1.3189E+01 seconds\n", + " Time synchronizing fission bank = 7.0000E-03 seconds\n", + " Sampling source sites = 5.0000E-03 seconds\n", + " SEND/RECV source sites = 2.0000E-03 seconds\n", + " Time accumulating tallies = 0.0000E+00 seconds\n", " Total time for finalization = 0.0000E+00 seconds\n", - " Total time elapsed = 1.4201E+01 seconds\n", - " Calculation Rate (inactive) = 40322.6 neutrons/second\n", - " Calculation Rate (active) = 15497.9 neutrons/second\n", + " Total time elapsed = 1.4579E+01 seconds\n", + " Calculation Rate (inactive) = 37453.2 neutrons/second\n", + " Calculation Rate (active) = 15164.2 neutrons/second\n", "\n", " ============================> RESULTS <============================\n", "\n", - " k-effective (Collision) = 1.02379 +/- 0.00230\n", - " k-effective (Track-length) = 1.02324 +/- 0.00270\n", - " k-effective (Absorption) = 1.02813 +/- 0.00172\n", - " Combined k-effective = 1.02680 +/- 0.00165\n", + " k-effective (Collision) = 1.02358 +/- 0.00231\n", + " k-effective (Track-length) = 1.02094 +/- 0.00233\n", + " k-effective (Absorption) = 1.02682 +/- 0.00152\n", + " Combined k-effective = 1.02527 +/- 0.00153\n", " Leakage Fraction = 0.00000 +/- 0.00000\n", "\n" ] @@ -1285,8 +1285,8 @@ "output_type": "stream", "text": [ "Continuous-Energy keff = 1.024295\n", - "Multi-Group keff = 1.026805\n", - "bias [pcm]: -251.0\n" + "Multi-Group keff = 1.025274\n", + "bias [pcm]: -97.9\n" ] } ], @@ -1302,7 +1302,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "This shows a 251 pcm bias between the two methods. Some degree of mismatch is expected simply to the very few histories being used in these example problems. An additional mismatch is always inherent in the practical application of multi-group theory due to the high degree of approximations inherent in that method." + "This shows a nontrivial pcm bias between the two methods. Some degree of mismatch is expected simply to the very few histories being used in these example problems. An additional mismatch is always inherent in the practical application of multi-group theory due to the high degree of approximations inherent in that method." ] }, { @@ -1383,7 +1383,7 @@ { "data": { "text/plain": [ - "" + "" ] }, "execution_count": 41, @@ -1392,9 +1392,9 @@ }, { "data": { - "image/png": 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"text/plain": [ - "" + "" ] }, "metadata": {}, diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py index e5728a812..20302b624 100644 --- a/openmc/mgxs/library.py +++ b/openmc/mgxs/library.py @@ -774,8 +774,8 @@ class Library(object): xs_ids : str Cross section set identifier. Defaults to '1m'. order : Scattering order for this data entry. Default is None, - which will force the XSdata object to use whatever the order of the - Library object is. + which will set the XSdata object to use the order of the + Library. Returns ------- @@ -803,6 +803,7 @@ class Library(object): cv.check_type('order', order, (type(None), Integral)) if order is not None: cv.check_greater_than('order', order, 0, equality=True) + cv.check_less_than('order', order, 10, equality=True) # Make sure statepoint has been loaded if self._sp_filename is None: @@ -834,7 +835,7 @@ class Library(object): xsdata.awr = self._nuclides[nuclide][1] # Now get xs data itself - if ('nu-transport' in self.mgxs_types) and (self.correction == 'P0'): + if 'nu-transport' in self.mgxs_types and self.correction == 'P0': mymgxs = self.get_mgxs(domain, 'nu-transport') xsdata.set_total_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuclide]) elif 'total' in self.mgxs_types: @@ -974,6 +975,104 @@ class Library(object): return mgxs_file + def create_mg_library_and_materials(self, xsdata_names=None, xs_ids=None, + material_ids=None): + """Creates an openmc.MGXSLibrary object to contain the MGXS data for the + Multi-Group mode of OpenMC as well as the associated openmc.Materials + objects. This method cannot be used for Library objects with + `Library.by_nuclide == True` since the materials to output would be + problem dependent and thus any Materials object produced by this method + would not be useful. + + Parameters + ---------- + xsdata_names : Iterable of str + List of names to apply to the "xsdata" entries in the + resultant mgxs data file. Defaults to 'set1', 'set2', ... + xs_ids : str or Iterable of str + Cross section set identifier (i.e., '71c') for all + data sets (if only str) or for each individual one + (if iterable of str). Defaults to '1m'. + material_ids : None or Iterable of Integral + An optional list of material IDs to pass to the materials in + materials_file. Defaults to `None` implying the materials will be + given an ID number which matches the index of the domain in + `self.domains` + + Returns + ------- + mgxs_file : openmc.MGXSLibrary + Multi-Group Cross Section File that is ready to be printed to the + file of choice by the user. + materials_file : openmc.Materials + Materials file ready to be printed with all the macroscopic data + present within this Library. + + Raises + ------ + ValueError + When the Library object is initialized with insufficient types of + cross sections for the Library. + + See also + -------- + Library.create_mg_library() + Library.dump_to_file() + + """ + + # Check to ensure the Library contains the correct + # multi-group cross section types + self.check_library_for_openmc_mgxs() + + if xsdata_names is not None: + cv.check_iterable_type('xsdata_names', xsdata_names, basestring) + if xs_ids is not None: + if isinstance(xs_ids, basestring): + # If we only have a string lets convert it now to a list + # of strings. + xs_ids = [xs_ids for i in range(len(self.domains))] + else: + cv.check_iterable_type('xs_ids', xs_ids, basestring) + else: + xs_ids = ['1m' for i in range(len(self.domains))] + if material_ids is not None: + cv.check_iterable_type('material_ids', material_ids, Integral) + xs_type = 'macro' + + # Initialize files + mgxs_file = openmc.MGXSLibrary(self.energy_groups) + + materials = [] + macroscopics = [] + nuclide = 'total' + # Create the xsdata object and add it to the mgxs_file + for i, domain in enumerate(self.domains): + # Build & add metadata to XSdata object + if xsdata_names is None: + xsdata_name = 'set' + str(i + 1) + else: + xsdata_name = xsdata_names[i] + + xsdata = self.get_xsdata(domain, xsdata_name, nuclide=nuclide, + xs_type=xs_type, xs_id=xs_ids[i]) + + mgxs_file.add_xsdata(xsdata) + + macroscopics.append(openmc.Macroscopic(name=xsdata_name, + xs=xs_ids[i])) + if material_ids is not None: + mat_id = material_ids[i] + else: + mat_id = i + materials.append(openmc.Material(name=xsdata_name + '.' + + xs_ids[i], material_id=mat_id)) + materials[-1].add_macroscopic(macroscopics[-1]) + + materials_file = openmc.Materials(materials) + + return (mgxs_file, materials_file) + def check_library_for_openmc_mgxs(self): """This routine will check the MGXS Types within a Library to ensure the MGXS types provided can be used to create @@ -1009,12 +1108,12 @@ class Library(object): # Ensure absorption is present if 'absorption' not in self.mgxs_types: error_flag = True - msg = 'Absorption MGXS type is required but not provided.' + msg = '"absorption" MGXS type is required but not provided.' warn(msg) # Ensure nu-scattering matrix is required if 'nu-scatter matrix' not in self.mgxs_types: error_flag = True - msg = 'Nu-Scatter Matrix MGXS type is required but not provided.' + msg = '"nu-scatter matrix" MGXS type is required but not provided.' warn(msg) else: # Ok, now see the status of scatter @@ -1023,7 +1122,7 @@ class Library(object): # we need total, and not transport. if 'total' not in self.mgxs_types: error_flag = True - msg = 'Total MGXS type is required if a ' \ + msg = '"total" MGXS type is required if a ' \ 'scattering matrix is not provided.' warn(msg) # Total or transport can be present, but if using @@ -1031,13 +1130,14 @@ class Library(object): if (((self.correction is "P0") and ('nu-transport' not in self.mgxs_types))): error_flag = True - msg = 'NuTransport MGXS type is required since a "P0" correction' \ - ' is applied, but a Transport MGXS is not provided.' + msg = 'A "nu-transport" MGXS type is required since a "P0" ' \ + 'correction is applied, but a "nu-transport" MGXS is ' \ + 'not provided.' warn(msg) elif (((self.correction is None) and ('total' not in self.mgxs_types))): error_flag = True - msg = 'Total MGXS type is required, but not provided.' + msg = '"total" MGXS type is required, but not provided.' warn(msg) if error_flag: diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py index 99942361b..88ae05808 100644 --- a/openmc/mgxs_library.py +++ b/openmc/mgxs_library.py @@ -137,6 +137,10 @@ class XSdata(object): ``representation``. matrix_shape : iterable of int Dimensionality of matrix multi-group cross sections (e.g., the + fission matrix cross section). The return result depends on the + value of ``representation``. + pn_matrix_shape : iterable of int + Dimensionality of scattering matrix data (e.g., the scattering matrix cross section). The return result depends on the value of ``representation``. total : numpy.ndarray @@ -621,9 +625,9 @@ class XSdata(object): check_value('domain_type', total.domain_type, ['universe', 'cell', 'material']) - if self._representation is 'isotropic': + if self.representation is 'isotropic': self._total = total.get_xs(nuclides=nuclide, xs_type=xs_type) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) @@ -657,10 +661,10 @@ class XSdata(object): check_value('domain_type', absorption.domain_type, ['universe', 'cell', 'material']) - if self._representation is 'isotropic': + if self.representation is 'isotropic': self._absorption = absorption.get_xs(nuclides=nuclide, xs_type=xs_type) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) @@ -693,10 +697,10 @@ class XSdata(object): check_value('domain_type', fission.domain_type, ['universe', 'cell', 'material']) - if self._representation is 'isotropic': + if self.representation is 'isotropic': self._fission = fission.get_xs(nuclides=nuclide, xs_type=xs_type) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) @@ -733,10 +737,10 @@ class XSdata(object): check_value('domain_type', nu_fission.domain_type, ['universe', 'cell', 'material']) - if self._representation is 'isotropic': + if self.representation is 'isotropic': self._nu_fission = nu_fission.get_xs(nuclides=nuclide, xs_type=xs_type) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) @@ -776,10 +780,10 @@ class XSdata(object): check_value('domain_type', k_fission.domain_type, ['universe', 'cell', 'material']) - if self._representation is 'isotropic': + if self.representation is 'isotropic': self._kappa_fission = k_fission.get_xs(nuclides=nuclide, xs_type=xs_type) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) @@ -816,10 +820,10 @@ class XSdata(object): check_value('domain_type', chi.domain_type, ['universe', 'cell', 'material']) - if self._representation is 'isotropic': + if self.representation is 'isotropic': self._chi = chi.get_xs(nuclides=nuclide, xs_type=xs_type) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) @@ -829,7 +833,7 @@ class XSdata(object): def set_scatter_mgxs(self, scatter, nuclide='total', xs_type='macro'): """This method allows for an openmc.mgxs.ScatterMatrixXS to be used to set the scatter matrix cross section for this XSdata - object. If the XsData.order attribute has not yet been set, then + object. If the XSdata.order attribute has not yet been set, then it will be set based on the properties of scatter. Parameters @@ -857,19 +861,15 @@ class XSdata(object): check_value('domain_type', scatter.domain_type, ['universe', 'cell', 'material']) - # Methods of representing anisotropic scattering besides - # Legendre expansions have not been implemented yet in openmc.mgxs. - # Therefore check to make sure the XsData has been set to - # legendre scattering. if (self.scatt_type != 'legendre'): - msg = 'Anisotrpic scattering representations other than ' \ + msg = 'Anisotropic scattering representations other than ' \ 'Legendre expansions have not yet been implemented in ' \ 'openmc.mgxs.' raise ValueError(msg) - # If the user has not defined XsData.order, then we will set + # If the user has not defined XSdata.order, then we will set # the order based on the data within scatter. - # Otherwise, we will check to see that XsData.order to match + # Otherwise, we will check to see that XSdata.order to match # the order of scatter if self.order is None: self.order = scatter.legendre_order @@ -877,7 +877,7 @@ class XSdata(object): check_value('legendre_order', scatter.legendre_order, [self.order]) - if self._representation is 'isotropic': + if self.representation is 'isotropic': # Get the scattering orders in the outermost dimension self._scatter = np.zeros((self.num_orders, self.energy_groups.num_groups, @@ -887,7 +887,7 @@ class XSdata(object): xs_type=xs_type, moment=moment) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) @@ -934,15 +934,13 @@ class XSdata(object): check_value('domain_type', scatter.domain_type, ['universe', 'cell', 'material']) - if self._representation is 'isotropic': - # import pdb; pdb.set_trace() - + if self.representation is 'isotropic': nuscatt = nuscatter.get_xs(nuclides=nuclide, xs_type=xs_type, moment=0) scatt = scatter.get_xs(nuclides=nuclide, xs_type=xs_type, moment=0) self._multiplicity = np.divide(nuscatt, scatt) - elif self._representation is 'angle': + elif self.representation is 'angle': msg = 'Angular-Dependent MGXS have not yet been implemented' raise ValueError(msg) self._multiplicity = np.nan_to_num(self._multiplicity)