Merge pull request #5 from ryanstwrt/Variable_Input

Variable Input

fridge/Assembly/Assembly.py

@@ -67,6 +67,12 @@ def update_global_identifiers(self, universe_test):
         if universe_test:
             self.universe += 1
 
+    def update_perturbations(self):
+        """Update the variables for any perturbations in the input file"""
+        for a, perts in self.globalVars.assembly_perturbations.items():
+            if a == self.assembly_file_name:
+                for k, v in perts.items():
+                    self.__setattr__(k, v)
 
 def read_assembly_type(assembly_file_name):
     """Reads in the assembly type to determine what type of assembly to build and return it."""

fridge/Assembly/FuelAssembly.py

@@ -82,6 +82,10 @@ def get_fuel_assembly_data(self):
         self.read_plenum_region_data(self.inputs)
         self.read_reflector_region_data(self.inputs)
 
+        # Update for perturbations
+        if bool(self.globalVars.assembly_perturbations):
+            self.update_perturbations()
+
     def build_fuel_assembly(self):
         """Create the cell, surface, and material cards for the fuel assembly."""
         self.fuel_height_with_bond = self.fuelHeight + self.bondAboveFuel

fridge/Assembly/SmearAssembly.py

@@ -41,6 +41,10 @@ def get_smear_assembly_data(self):
         self.smearMaterial = self.inputs['Smear Materials']
         self.smearRegionHeight = self.inputs['Smear Height']
 
+        # Update for perturbations
+        if bool(self.globalVars.assembly_perturbations):
+            self.update_perturbations()
+
     def build_smear_assembly(self):
         """Build the cell, surface, and material cards for the smear assembly."""
         self.assemblyUniverse = self.universe

fridge/Material/Material.py

@@ -30,6 +30,7 @@ def __init__(self):
         self.enrichmentZaids = []
         self.enrichmentIsotopes = []
         self.enrichmentVector = []
+        self.isotopicAtomPercents = []
 
     def set_material(self, material):
         self.name = material
@@ -49,6 +50,7 @@ def read_material_data(self, material):
         self.enrichmentZaids = inputs['Elemental Adjustment ZAIDs'] if 'Elemental Adjustment ZAIDs' in inputs else []
         self.enrichmentIsotopes = inputs['Isotopic Adjustment ZAIDs'] if 'Isotopic Adjustment ZAIDs' in inputs else []
         self.enrichmentVector = inputs['Isotopic Weight Percents'] if 'Isotopic Weight Percents' in inputs else []
+        self.isotopicAtomPercents = inputs['Isotopic Atom Percents'] if 'Isotopic Atom Percents' in inputs else []
         self.density = inputs['Density']
         self.linearCoeffExpansion = inputs['Linear Coefficient of Expansion']
 
@@ -61,9 +63,14 @@ def create_material_data(self):
             self.enrichmentDict[zaid] = enriched_isotope_dict
         for num, element in enumerate(self.elements):
             self.elementDict[self.zaids[num]] = Element.Element(element)
-        self.set_elemental_enrichment()
-        self.set_weight_percent()
-        self.atomDensity, self.atomPercent = set_atom_percent(self.weightPercent, self.density,
+
+        if self.isotopicAtomPercents:
+            self.atomDensity = self.density
+            self.set_atom_fractions()
+        else:
+            self.set_elemental_enrichment()
+            self.set_weight_percent()
+            self.atomDensity, self.atomPercent = set_atom_percent(self.weightPercent, self.density,
                                                               self.elementDict)
 
     def set_elemental_enrichment(self):
@@ -88,8 +95,19 @@ def set_weight_percent(self, void_percent=1.0):
     def set_void(self, void_percent):
         """Adjust the atom density/atom percent of a material to account for voiding."""
         self.set_weight_percent(void_percent)
-        self.atomDensity, self.atomPercent = set_atom_percent(self.weightPercent, self.density,
-                                                              self.elementDict)
+        self.atomDensity, self.atomPercent = set_atom_percent(self.weightPercent, self.density, self.elementDict)
+
+    def set_atom_fractions(self, void_percent=1.0):
+        """Calculates the atom density of a material given a material with atom densities defined."""
+        for zaidNum, zaid in enumerate(self.zaids):
+            for isotope, isotopeFraction in self.elementDict[zaid].atomPercentDict.items():
+                if zaid in self.isotopicAtomPercents:
+                    print(self.elementDict[zaid].weightPercentDict[isotope])
+                    self.atomPercent[isotope] = self.elementDict[zaid].atomPercentDict[isotope] * \
+                                                self.isotopicAtomPercents[zaid] * void_percent
+                elif isotope in self.isotopicAtomPercents:
+                    self.atomPercent[isotope] = self.isotopicAtomPercents[isotope] * void_percent
+        assert np.allclose(sum(self.atomPercent.values()), self.density, 3)
 
 
 def set_atom_percent(weight_percents, density, element_dict):
@@ -102,7 +120,7 @@ def set_atom_percent(weight_percents, density, element_dict):
             current_element = int(element[:1] + '000')
         else:
             current_element = int(element[:2] + '000')
-        atom_densities[zaid] = weight*density * AVOGADROS_NUMBER / element_dict[current_element].molecularMassDict[zaid]
+        atom_densities[zaid] = weight*density*AVOGADROS_NUMBER / element_dict[current_element].molecularMassDict[zaid]
     atom_density = sum(atom_densities.values())
 
     for zaid, atomicDensity in atom_densities.items():

fridge/data/CotN/Co.yaml

@@ -0,0 +1,7 @@
+Name: Cobolt
+Elemental ZAIDs: 27000
+Isotopic ZAID: [27059]
+Abundance: [1.0]
+Mass: [58.933193]
+Density: 8.86
+Linear Coefficient of Expansion: 0.0

fridge/data/CotN/Cu.yaml

@@ -0,0 +1,7 @@
+Name: Copper
+Elemental ZAIDs: 29000
+Isotopic ZAID: [29063, 29065]
+Abundance: [0.6915,0.3085 ]
+Mass: [62.929597, 64.927789]
+Density: 8.96
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_B4C.yaml

@@ -0,0 +1,6 @@
+Name: FFTF Stainless Steel 316
+Elements: [B, C]
+Elemental ZAIDs: [5000, 6000]
+IsIsotopic Atom Percents: {5010: 2.0297E-2, 5011: 8.1700E-2, 6000: 2.3699E-2}
+Density: 1.2570E-1
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_IF.yaml

@@ -0,0 +1,10 @@
+Name: FFTF Inner Fuel
+Elements: ['U', 'Np', 'Pu', 'Am', 'O']
+Elemental ZAIDs: [92000, 93000, 94000, 95000, 8000]
+Isotopic Atom Percents: {92234: 9.9319E-7, 92235: 1.1417E-4, 92238: 1.5764E-2,
+                         93237: 1.6063E-5,
+                         94238: 3.1181E-6, 94239: 5.1998E-3, 94240: 7.0298E-4, 94241: 6.9284E-5, 94242: 1.2825E-5,
+                         95241: 1.1744E-5,
+                         8016: 4.2690E-2}
+Density: 6.4584E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_IP.yaml

@@ -0,0 +1,9 @@
+Name: FFTF_IP
+Elements: ['U', 'O']
+Elemental ZAIDs: [92000,  8000]
+Isotopic ZAIDs: [[92234, 92235, 92236, 92238],
+                            [8016, 8017, 8018]]
+Isotopic Atom Percents: [[1.2746E-6, 1.6686E-4, 0.0, 2.3007E-2],
+                         [4.6351E-2]]
+Density: 6.9526E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_Inconel600.yaml

@@ -0,0 +1,7 @@
+Name: FFTF Inconel 600
+Elements: [C, Si, S, Cr, Mn, Fe, Co, Ni, Cu]
+Elemental ZAIDs: [6000, 14000, 16000, 24000, 25000, 26000, 27000, 28000, 29000]
+Isotopic Atom Percents: {6000: 2.0908E-3, 14000: 4.4707E-4, 16000: 1.1747E-5, 24000: 1.4972E-2, 25000: 1.5998E-3,
+                         26000: 7.1948E-3, 27000: 8.5222E-5, 28000: 6.3016E-2, 29000: 1.9759E-4}
+Density: 8.9615E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_LiquidNa.yaml

@@ -0,0 +1,7 @@
+Name: FFTF Liquid Sodium
+Elements: [Na]
+Elemental ZAIDs: [11000]
+Isotopic ZAIDs: [11000]]
+Isotopic Weight Percents: [[2.3620E-2]]
+Density: 3.3620E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_LowerAxialShieldMat.yaml

@@ -0,0 +1,7 @@
+Name: FFTF Stainless Steel 316
+Elements: [B, C, N, Na, Al, Si, P, S, V, Cr, Mn, Fe, Co, Ni, Cu, As, Nb, Mo, Ta]
+Elemental ZAIDs: [5000, 6000, 7000, 11000, 13000, 14000, 15000, 16000, 23000, 24000, 25000, 26000, 27000, 28000, 29000, 33000, 41000, 42000, 73000]
+Isotopic ZAIDs: [[5010, 5011], [6000], [7000], [11000], [13000], [14000], [15000], [16000], [23000], [24000], [25000], [26000], [27000], [28000], [29000], [33000], [41000], [42000], [73000]]
+Isotopic Weight Percents: [[3.2491E-7, 1.3078E-6], [1.4696E-4], [1.2602E-5], [6.1160E-3], [3.2710E-5], [4.7136E-4], [1.11398E-5], [5.55048E-6], [6.9300E-5], [1.1882E-2], [1.1245E-3], [4.0495E-2], [1.4976E-5], [8.1199E-3], [2.7777E-5], [7.0679E-6], [9.4995E-6], [9.1991E-4], [9.7549E-7]]
+Density: 6.9469E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_OF.yaml

@@ -0,0 +1,15 @@
+Name: FFTF_OF
+Elements: ['U', 'Np', 'Pu', 'Am', 'O']
+Elemental ZAIDs: [92000, 93000, 94000, 95000, 8000]
+Isotopic ZAIDs: [[92234, 92235, 92236, 92238], 
+                            [93273], 
+                            [94238, 94239, 94240, 94241, 94242], 
+                            [95241], 
+                            [8016, 8017, 8018]]
+Isotopic Atom Percents: [[1.0327E-6, 1.2127E-4, 0.0, 1.6744E-2],
+                         [1.3313E-5],
+                         [2.6497E-6, 4.2072E-3, 5.6618E-4, 5.7297E-5, 9.2450E-6],
+                         [1.4025E-5],
+                         [4.3372E-2]]
+Density: 6.5108E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_PlenumMat.yaml

@@ -0,0 +1,7 @@
+Name: FFTF Plenum Material
+Elements: [B, C, N, Na, Al, Si, P, S, V, Cr, Mn, Fe, Co, Ni, Cu, As, Nb, Mo, Ta]
+Elemental ZAIDs: [5000, 6000, 7000, 11000, 13000, 14000, 15000, 16000, 23000, 24000, 25000, 26000, 27000, 28000, 29000, 33000, 41000, 42000, 73000]
+Isotopic ZAIDs: [[5010, 5011], [6000], [7000], [11000], [13000], [14000], [15000], [16000], [23000], [24000], [25000], [26000], [27000], [28000], [29000], [33000], [41000], [42000], [73000]]
+Isotopic Weight Percents: [[1.2816E-7, 5.1585E-7], [5.7968E-5], [4.9707E-6], [9.6390E-3], [1.2902E-5], [1.8592E-4], [4.4957E-6], [2.1713E-6], [2.7335E-5], [4.6866E-3], [4.4356E-4], [1.5973E-2], [5.9070E-6], [3.2028E-3], [1.0956E-5], [2.7879E-6], [3.7470E-6], [3.6285E-4], [3.8477E-7]]
+Density: 3.4628E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_ReflectorMat7.yaml

@@ -0,0 +1,7 @@
+Name: FFTF Reflector Block Region
+Elements: [B, C, N, Na, Al, Si, P, S, V, Cr, Mn, Fe, Co, Ni, Cu, As, Nb, Mo, Ta]
+Elemental ZAIDs: [5000, 6000, 7000, 11000, 13000, 14000, 15000, 16000, 23000, 24000, 25000, 26000, 27000, 28000, 29000, 33000, 41000, 42000, 73000]
+Isotopic ZAIDs: [[5010, 5011], [6000], [7000], [11000], [13000], [14000], [15000], [16000], [23000], [24000], [25000], [26000], [27000], [28000], [29000], [33000], [41000], [42000], [73000]]
+Isotopic Weight Percents: [[9.6514E-8, 3.8848E-7], [1.3432E-3], [3.7434E-6], [3.4400E-3], [9.7165E-6], [4.1789E-4], [3.3856E-6], [8.9367E-6], [2.0586E-5], [1.2835E-2], [1.3248E-3], [1.6501E-2], [5.7417E-5], [4.1579E-2], [1.3106E-6], [2.0995E-6], [2.8218E-6], [2.7326E-4], [2.8977E-7]]
+Density: 7.7958E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/FFTF_SS316.yaml

@@ -0,0 +1,7 @@
+Name: FFTF Stainless Steel 316
+Elements: [B, C, N, Al, Si, P, S, V, Cr, Mn, Fe, Co, Ni, Cu, As, Nb, Mo, Ta]
+Elemental ZAIDs: [5000, 6000, 7000, 13000, 14000, 15000, 16000, 23000, 24000, 25000, 26000, 27000, 28000, 29000, 33000, 41000, 42000, 73000]
+Isotopic ZAIDs: [[5010, 5011], [6000], [7000], [13000], [14000], [15000], [16000], [23000], [24000], [25000], [26000], [27000], [28000], [29000], [33000], [41000], [42000], [73000]]
+Isotopic Weight Percents: [[4.3730E-7, 1.7602E-6], [1.9780E-4], [1.6961E-5], [4.4025E-5], [6.3442E-4], [1.5340E-5], [7.4091E-6], [9.3272E-5], [1.5992E-2], [1.5135E-3], [5.4503E-2], [2.0156E-5], [1.0929E-2], [3.7386E-5], [9.5128E-6], [1.2786E-5], [1.2381E-3], [1.3129E-6]]
+Density: 8.5268E-2
+Linear Coefficient of Expansion: 0.0

fridge/data/materials/SS316_AtomDensity.yaml

@@ -0,0 +1,7 @@
+Name: Stainless Steel 316
+Elements: [C, Si, P, S, Cr, Mn, Fe, Ni, Mo]
+Elemental ZAIDs: [6000, 14000, 15000, 16000, 24000, 25000, 26000, 28000, 42000]
+Isotopic Atom Percents: {6000: 0.000164, 14000: 0.000870, 15000: 0.000036, 16000: 0.000023, 24000: 0.015751,
+                        25000: 0.000889, 26000: 0.057714, 28000: 0.009850, 42000: 0.001255}
+Density: 0.086553
+Linear Coefficient of Expansion: 0.0

fridge/driver/fridge_driver.py

@@ -11,10 +11,10 @@
 # TODO utilize an avogadro's number from somewhere
 
 
-def main(file_name):
+def main(file_name, **kwargs):
     print('Welcome to FRIDGe, the Fast Reactor Input Deck Generator!')
     global_vars = gb.GlobalVariables()
-    global_vars.read_input_file(file_name)
+    global_vars.read_input_file(file_name, **kwargs)
     print(global_vars.input_type)
     if global_vars.input_type == 'Single':
         print('Creating assembly: {}... Please Wait'.format(global_vars.file_name))

fridge/driver/global_variables.py

@@ -27,17 +27,19 @@ def __init__(self):
         self.number_particles_generation = 0
         self.kopts = False
         self.ksens = False
+        self.assembly_perturbations = {}
         self.output_name = ''
         self.input_type = ''
 
-    def read_input_file(self, assembly_name):
+    def read_input_file(self, assembly_name, **perturbations):
         """Reads the yaml file for a FRIDGE input file and assigns any variables found."""
         self.assembly_file_name = assembly_name
-
         cur_dir = os.path.dirname(__file__)
         input_dir = os.path.join(cur_dir, "../fridge_input_file")
-        assembly_file = glob.glob(os.path.join(input_dir, self.assembly_file_name + '.yaml'))
-
+        assembly_path = os.path.join(input_dir, self.assembly_file_name + '.yaml')
+        assembly_file = glob.glob(assembly_path)
+        print(assembly_name, assembly_file)
+        print(assembly_path)
         with open(assembly_file[0], "r") as file:
             inputs = yaml.safe_load(file)
 
@@ -69,6 +71,12 @@ def read_input_file(self, assembly_name):
             if 'ksens' in inputs else False
         self.void_per = float(inputs["Void Percent"]) \
             if "Void Percent" in inputs else 1.0
+        self.assembly_perturbations = inputs["Assembly Perturbations"] \
+            if "Assembly Perturbations" in inputs else {}
+
+        # Update for perturbations
+        for k, v in perturbations.items():
+            self.__setattr__(k, v)
 
         # Set the XC set depending on the temperature
         if self.temperature == 600:

fridge/driver/reactorMaker.py

@@ -38,5 +38,9 @@ def core_maker(global_vars):
     print('Building reactor core and coolant.')
     core.build_core(global_vars)
     print('Creating MCNP input file.')
+    for a, perts in global_vars.assembly_perturbations.items():
+        print('Perturbations For Assembly {}'.format(a))
+        for k, v in perts.items():
+            print('    {}: {}'.format(k, v))
     k_card = mcnpCF.make_mcnp_problem(global_vars, core=core)
     mcnpCF.mcnp_input_deck_maker_core(core, k_card, global_vars)