Added zaid and awr data to summary so that openmc.mgxs.Library can access that information and pass it forward to the outputted microscopic library.

openmc/mgxs/library.py

@@ -410,6 +410,7 @@ class Library(object):
 
         self._sp_filename = statepoint._f.filename
         self._openmc_geometry = statepoint.summary.openmc_geometry
+        self._nuclides = statepoint.summary.nuclides
 
         if statepoint.run_mode == 'k-eigenvalue':
             self._keff = statepoint.k_combined[0]
@@ -872,6 +873,10 @@ class Library(object):
                     name += '.' + xs_ids[i]
                     xsdata = openmc.XSdata(name, self.energy_groups)
                     xsdata.order = order
+                    print(self._nuclides)
+                    print(nuclide)
+                    xsdata.zaid = self._nuclides[nuclide][0]
+                    xsdata.awr  = self._nuclides[nuclide][1]
 
                     # Now get xs data itself
                     if 'total' in self.mgxs_types:

openmc/mgxs_library.py

@@ -204,6 +204,8 @@ class XSdata(object):
         self._energy_groups = energy_groups
         self._representation = representation
         self._alias = None
+        self._zaid = None
+        self._awr = None
         self._kT = None
         self._fissionable = False
         self._scatt_type = 'legendre'
@@ -237,6 +239,14 @@ class XSdata(object):
     def alias(self):
         return self._alias
 
+    @property
+    def zaid(self):
+        return self._zaid
+
+    @property
+    def awr(self):
+        return self._awr
+
     @property
     def kT(self):
         return self._kT
@@ -334,6 +344,20 @@ class XSdata(object):
         else:
             self._alias = self._name
 
+    @zaid.setter
+    def zaid(self, zaid):
+        # Check type and value
+        check_type("zaid", zaid, Integral)
+        check_greater_than("zaid", zaid, 0, equality=False)
+        self._zaid = zaid
+
+    @awr.setter
+    def awr(self, awr):
+        # Check validity of type and that the awr value is > 0
+        check_type("awr", awr, Real)
+        check_greater_than("awr", awr, 0.0, equality=False)
+        self._awr = awr
+
     @kT.setter
     def kT(self, kT):
         # Check validity of type and that the kT value is >= 0
@@ -1092,6 +1116,18 @@ class XSdata(object):
             subelement = ET.SubElement(element, 'kT')
             subelement.text = str(self._kT)
 
+        if self._zaid is not None:
+            subelement = ET.SubElement(element, 'zaid')
+            subelement.text = str(self._zaid)
+
+        if self._awr is not None:
+            subelement = ET.SubElement(element, 'awr')
+            subelement.text = str(self._awr)
+
+        if self._kT is not None:
+            subelement = ET.SubElement(element, 'kT')
+            subelement.text = str(self._kT)
+
         if self._fissionable is not None:
             subelement = ET.SubElement(element, 'fissionable')
             subelement.text = str(self._fissionable)

openmc/summary.py

@@ -38,6 +38,7 @@ class Summary(object):
         self._opencg_geometry = None
 
         self._read_metadata()
+        self._read_nuclides()
         self._read_geometry()
         self._read_tallies()
 
@@ -55,8 +56,8 @@ class Summary(object):
     def _read_metadata(self):
         # Read OpenMC version
         self.version = [self._f['version_major'].value,
-                         self._f['version_minor'].value,
-                         self._f['version_release'].value]
+                        self._f['version_minor'].value,
+                        self._f['version_release'].value]
         # Read date and time
         self.date_and_time = self._f['date_and_time'][...]
 
@@ -70,6 +71,17 @@ class Summary(object):
         self.gen_per_batch = self._f['gen_per_batch'].value
         self.n_procs = self._f['n_procs'].value
 
+    def _read_nuclides(self):
+        self.nuclides = {}
+        n_nuclides = self._f['nuclides/n_nuclides_total'].value
+        names = self._f['nuclides/names'].value
+        awrs = self._f['nuclides/awrs'].value
+        zaids = self._f['nuclides/zaids'].value
+        for n in range(n_nuclides):
+            name = names[n].decode()
+            name = name[:name.find('.')]
+            self.nuclides[name] = (zaids[n], awrs[n])
+
     def _read_geometry(self):
         # Read in and initialize the Materials and Geometry
         self._read_materials()

src/summary.F90

@@ -68,6 +68,7 @@ contains
            "description", "Number of generations per batch")
     end if
 
+    call write_nuclides(file_id)
     call write_geometry(file_id)
     call write_materials(file_id)
     if (n_tallies > 0) then
@@ -105,6 +106,49 @@ contains
 
   end subroutine write_header
 
+!===============================================================================
+! WRITE_NUCLIDES
+!===============================================================================
+
+  subroutine write_nuclides(file_id)
+    integer(HID_T), intent(in) :: file_id
+    integer(HID_T) :: nuclide_group
+    integer :: i
+    character(12), allocatable :: nucnames(:)
+    real(8), allocatable :: awrs(:)
+    integer, allocatable :: zaids(:)
+
+    ! Use H5LT interface to write useful data from nuclide objects
+    nuclide_group = create_group(file_id, "nuclides")
+    call write_dataset(nuclide_group, "n_nuclides_total", n_nuclides_total)
+
+    ! Build array of nuclide names, awrs, and zaids
+    allocate(nucnames(n_nuclides_total))
+    allocate(awrs(n_nuclides_total))
+    allocate(zaids(n_nuclides_total))
+    do i = 1, n_nuclides_total
+      if (run_CE) then
+        nucnames(i) = xs_listings(nuclides(i) % listing) % alias
+        awrs(i)     = nuclides(i) % awr
+        zaids(i)    = nuclides(i) % zaid
+      else
+        nucnames(i) = xs_listings(nuclides_MG(i) % obj % listing) % alias
+        awrs(i)     = nuclides_MG(i) % obj % awr
+        zaids(i)    = nuclides_MG(i) % obj % zaid
+      end if
+    end do
+
+    ! Write nuclide names, awrs and zaids
+    call write_dataset(nuclide_group, "names", nucnames)
+    call write_dataset(nuclide_group, "awrs", awrs)
+    call write_dataset(nuclide_group, "zaids", zaids)
+
+    call close_group(nuclide_group)
+
+    deallocate(nucnames, awrs, zaids)
+
+  end subroutine write_nuclides
+
 !===============================================================================
 ! WRITE_GEOMETRY
 !===============================================================================