Adding setting to control MCNP / ENDF library

armi/physics/neutronics/settings.py

@@ -43,6 +43,7 @@
 CONF_INNERS_ = "inners"
 CONF_LOADING_FILE = "loadingFile"
 CONF_NEUTRONICS_KERNEL = "neutronicsKernel"
+CONF_MCNP_LIB_BASE = "mcnpLibraryBaseName"
 CONF_NEUTRONICS_TYPE = "neutronicsType"
 CONF_NUMBER_MESH_PER_EDGE = "numberMeshPerEdge"
 CONF_OUTERS_ = "outers"
@@ -172,6 +173,16 @@ def defineSettings():
             options=[],
             enforcedOptions=True,
         ),
+        setting.Setting(
+            CONF_MCNP_LIB_BASE,
+            default="ENDF/B-VII.1",
+            description=(
+                "Library name for MCNP cross sections. "
+                "ENDF/B-VII.1 is the default library. "
+            ),
+            label="Default base library name",
+            options=["ENDF/B-VII.0", "ENDF/B-VII.1", "ENDF/B-VIII.0"],
+        ),
         setting.Setting(
             CONF_NEUTRONICS_TYPE,
             default="real",

armi/reactor/blueprints/isotopicOptions.py

@@ -33,6 +33,7 @@
     CONF_FISSION_PRODUCT_LIBRARY_NAME,
 )
 from armi.physics.neutronics.settings import (
+    CONF_MCNP_LIB_BASE,
     CONF_NEUTRONICS_KERNEL,
     CONF_XS_KERNEL,
 )
@@ -456,7 +457,6 @@ def getDefaultNuclideFlags():
     We will include B10 and B11 without depletion, sodium, and structural elements.
 
     We will include LFPs with depletion.
-
     """
     nuclideFlags = {}
     actinides = {
@@ -511,7 +511,6 @@ def eleExpandInfoBasedOnCodeENDF(cs):
         For example: {oxygen: [oxygen16]} indicates that all
         oxygen should be expanded to O16, ignoring natural
         O17 and O18. (variables are Natural/NuclideBases)
-
     """
     elementalsToKeep = set()
     oxygenElementals = [nuclideBases.byName["O"]]
@@ -536,22 +535,20 @@ def eleExpandInfoBasedOnCodeENDF(cs):
 
     if "MCNP" in cs[CONF_NEUTRONICS_KERNEL]:
         expansionStrings.update(mcnpExpansions)
-        if int(cs["mcnpLibrary"]) == 50:
-            elementalsToKeep.update(nuclideBases.instances)  # skip expansion
         # ENDF/B VII.0
-        elif 70 <= int(cs["mcnpLibrary"]) <= 79:
+        if cs[CONF_MCNP_LIB_BASE] == "ENDF/B-VII.0":
             elementalsToKeep.update(endf70Elementals)
         # ENDF/B VII.1
-        elif 80 <= int(cs["mcnpLibrary"]) <= 89:
+        elif cs[CONF_MCNP_LIB_BASE] == "ENDF/B-VII.1":
             elementalsToKeep.update(endf71Elementals)
+        # ENDF/B VIII.0
+        elif cs[CONF_MCNP_LIB_BASE] == "ENDF/B-VIII.0":
+            elementalsToKeep.update(endf80Elementals)
         else:
             raise InputError(
-                "Failed to determine nuclides for modeling. "
-                "The `mcnpLibrary` setting value ({}) is not supported.".format(
-                    cs["mcnpLibrary"]
-                )
+                "Failed to determine nuclides for modeling. The `mcnpLibraryBaseName` "
+                f"setting value ({cs[CONF_MCNP_LIB_BASE]}) is not supported."
             )
-
     elif cs[CONF_XS_KERNEL] in ["", "SERPENT", "MC2v3", "MC2v3-PARTISN"]:
         elementalsToKeep.update(endf70Elementals)
         expansionStrings.update(mc2Expansions)

armi/reactor/blueprints/tests/test_customIsotopics.py

@@ -18,13 +18,17 @@
 
 import yamlize
 
+from armi import runLog
 from armi import settings
+from armi.physics.neutronics.settings import CONF_MCNP_LIB_BASE
+from armi.physics.neutronics.settings import CONF_NEUTRONICS_KERNEL
 from armi.physics.neutronics.settings import CONF_XS_KERNEL
 from armi.reactor import blueprints
 from armi.reactor.blueprints import isotopicOptions
 from armi.reactor.flags import Flags
-from armi import runLog
 from armi.tests import mockRunLogs
+from armi.utils.customExceptions import InputError
+from armi.utils.directoryChangers import TemporaryDirectoryChanger
 
 
 class TestCustomIsotopics(unittest.TestCase):
@@ -529,6 +533,8 @@ class TestNuclideFlagsExpansion(unittest.TestCase):
     SI: {burn: true, xs: true}
     MO: {burn: true, xs: true}
     W: {burn: true, xs: true}
+    ZN: {burn: true, xs: true}
+    O: {burn: true, xs: true}
 blocks:
     uzr fuel: &block_0
         fuel:
@@ -546,6 +552,14 @@ class TestNuclideFlagsExpansion(unittest.TestCase):
             id: 0.0
             mult: 1.0
             od: 10.0
+        dummy:
+            shape: Circle
+            material: ZnO
+            Tinput: 25.0
+            Thot: 600.0
+            id: 0.0
+            mult: 1.0
+            od: 10.0
 assemblies:
     fuel a:
         specifier: IC
@@ -568,3 +582,47 @@ def test_expandedNatural(self):
         self.assertNotIn("FE56", nd)  # natural isotopic not requested
         self.assertNotIn("FE51", nd)  # un-natural
         self.assertNotIn("FE", nd)
+
+    def test_eleExpandInfoBasedOnCodeENDF(self):
+        with TemporaryDirectoryChanger():
+            # Reference elements to expand by library
+            ref_E70_elem = ["C", "V", "ZN"]
+            ref_E71_elem = ["C"]
+            ref_E80_elem = []
+
+            # Load settings and set neutronics kernel to MCNP
+            cs = settings.Settings()
+            cs = cs.modified(newSettings={CONF_NEUTRONICS_KERNEL: "MCNP"})
+
+            # Set ENDF/B-VII.0 as MCNP cross section library base
+            cs = cs.modified(newSettings={CONF_MCNP_LIB_BASE: "ENDF/B-VII.0"})
+            eleToKeep, expansions = isotopicOptions.eleExpandInfoBasedOnCodeENDF(cs)
+            E70_elem = [x.label for x in eleToKeep]
+
+            # Set ENDF/B-VII.1 as MCNP cross section library base
+            cs = cs.modified(newSettings={CONF_MCNP_LIB_BASE: "ENDF/B-VII.1"})
+            eleToKeep, expansions = isotopicOptions.eleExpandInfoBasedOnCodeENDF(cs)
+            E71_elem = [x.label for x in eleToKeep]
+
+            # Set ENDF/B-VIII.0 as MCNP cross section library base
+            cs = cs.modified(newSettings={CONF_MCNP_LIB_BASE: "ENDF/B-VIII.0"})
+            eleToKeep, expansions = isotopicOptions.eleExpandInfoBasedOnCodeENDF(cs)
+            E80_elem = [x.label for x in eleToKeep]
+
+            # Assert equality of returned elements to reference elements
+            self.assertEqual(sorted(E70_elem), sorted(ref_E70_elem))
+            self.assertEqual(sorted(E71_elem), sorted(ref_E71_elem))
+            self.assertEqual(sorted(E80_elem), sorted(ref_E80_elem))
+
+            # Disallowed inputs
+            not_allowed = ["ENDF/B-VIIII.0", "ENDF/B-VI.0", "JEFF-3.3"]
+            # Assert raise InputError in case of invalid library setting
+            for x in not_allowed:
+                with self.assertRaises(InputError) as context:
+                    cs = cs.modified(newSettings={CONF_MCNP_LIB_BASE: x})
+                    _ = isotopicOptions.eleExpandInfoBasedOnCodeENDF(cs)
+
+                self.assertTrue(
+                    "Failed to determine nuclides for modeling"
+                    in str(context.exception)
+                )