diff --git a/openmc/deplete/openmc_wrapper.py b/openmc/deplete/openmc_wrapper.py index c95170a461..9a895a5081 100644 --- a/openmc/deplete/openmc_wrapper.py +++ b/openmc/deplete/openmc_wrapper.py @@ -104,7 +104,7 @@ class OpenMCOperator(Operator): ---------- geometry : openmc.Geometry The OpenMC geometry object. - settings : OpenMCSettings + settings : openmc.deplete.OpenMCSettings Settings object. Attributes @@ -130,8 +130,8 @@ class OpenMCOperator(Operator): Number of nuclides considered in the decay chain. mat_tally_ind : OrderedDict of str to int Dictionary mapping material ID to index in tally. - """ + """ def __init__(self, geometry, settings): super().__init__(settings) @@ -170,8 +170,10 @@ class OpenMCOperator(Operator): # Extract number densities from the geometry self.extract_number(mat_burn, mat_not_burn, volume, nuc_dict) - # Create reaction rate tables - self.initialize_reaction_rates() + # Create reaction rates array + index_rx = {rx: i for i, rx in enumerate(self.chain.reactions)} + self.reaction_rates = ReactionRates( + self.burn_mat_to_ind, self.burn_nuc_to_ind, index_rx) def __call__(self, vec, print_out=True): """Runs a simulation. @@ -243,35 +245,17 @@ class OpenMCOperator(Operator): volume = OrderedDict() # Iterate once through the geometry to get dictionaries - cells = self.geometry.get_all_material_cells() - for cell in cells.values(): - if isinstance(cell.fill, openmc.Material): - mat = cell.fill - for nuclide in mat.get_nuclide_densities(): - nuc_set.add(nuclide) - if mat.depletable: - mat_burn.add(str(mat.id)) - volume[str(mat.id)] = mat.volume - else: - mat_not_burn.add(str(mat.id)) + for mat in self.geometry.get_all_materials().values(): + for nuclide in mat.get_nuclide_densities(): + nuc_set.add(nuclide) + if mat.depletable: + mat_burn.add(str(mat.id)) + if mat.volume is None: + raise RuntimeError("Volume not specified for depletable " + "material with ID={}.".format(mat.id)) + volume[str(mat.id)] = mat.volume else: - for mat in cell.fill: - for nuclide in mat.get_nuclide_densities(): - nuc_set.add(nuclide) - if mat.depletable: - mat_burn.add(str(mat.id)) - volume[str(mat.id)] = mat.volume - else: - mat_not_burn.add(str(mat.id)) - - need_vol = [] - - for mat_id in volume: - if volume[mat_id] is None: - need_vol.append(mat_id) - - if need_vol: - exit("Need volumes for materials: " + str(need_vol)) + mat_not_burn.add(str(mat.id)) # Sort the sets mat_burn = sorted(mat_burn, key=int) @@ -334,18 +318,13 @@ class OpenMCOperator(Operator): if self.settings.dilute_initial != 0.0: for nuc in self.burn_nuc_to_ind: - self.number.set_atom_density(np.s_[:], nuc, self.settings.dilute_initial) + self.number.set_atom_density(np.s_[:], nuc, + self.settings.dilute_initial) # Now extract the number densities and store - cells = self.geometry.get_all_material_cells() - for cell in cells.values(): - if isinstance(cell.fill, openmc.Material): - if str(cell.fill.id) in mat_dict: - self.set_number_from_mat(cell.fill) - else: - for mat in cell.fill: - if str(mat.id) in mat_dict: - self.set_number_from_mat(mat) + for mat in self.geometry.get_all_materials().values(): + if str(mat.id) in mat_dict: + self.set_number_from_mat(mat) def set_number_from_mat(self, mat): """Extracts material and number densities from openmc.Material @@ -364,14 +343,6 @@ class OpenMCOperator(Operator): number = nuc_dens[nuclide][1] * 1.0e24 self.number.set_atom_density(mat_id, nuclide, number) - def initialize_reaction_rates(self): - """Create reaction rates object. """ - # Create dictionary to map reactions to indices - index_rx = {rx: i for i, rx in enumerate(self.chain.reactions)} - - self.reaction_rates = ReactionRates( - self.burn_mat_to_ind, self.burn_nuc_to_ind, index_rx) - def form_matrix(self, y, mat): """Forms the depletion matrix.