Major updates to mgxs.py with preliminary testing. Scattering matrices not yet working

openmc/mgxs/__init__.py

@@ -1 +1,2 @@
-from groups import EnergyGroups
+from groups import EnergyGroups
+from mgxs import *

openmc/mgxs/groups.py

@@ -11,6 +11,7 @@ import openmc.checkvalue as cv
 if sys.version_info[0] >= 3:
     basestring = str
 
+
 class EnergyGroups(object):
     """An energy groups structure used for multi-group cross-sections.
 
@@ -37,10 +38,10 @@ class EnergyGroups(object):
     def __deepcopy__(self, memo):
         existing = memo.get(id(self))
 
-        # If this is the first time we have tried to copy this object, create a copy
+        # If this is the first time we have tried to copy object, create copy
         if existing is None:
             clone = type(self).__new__(type(self))
-            clone.group_edges = copy.deepcopy(self._group_edges, memo)
+            clone.group_edges = copy.deepcopy(self.group_edges, memo)
 
             memo[id(self)] = clone
 
@@ -60,18 +61,18 @@ class EnergyGroups(object):
 
     @group_edges.setter
     def group_edges(self, edges):
-        cv.check_type('group edges', edges, Iterable, Integral)
-        cv.check_length('number of group edges', edges, 2)
+        cv.check_type('group edges', edges, Iterable, Real)
+        cv.check_greater_than('number of group edges', len(edges), 1)
         self._group_edges = np.array(edges)
         self._num_groups = len(edges)-1
 
     def __eq__(self, other):
         if not isinstance(other, EnergyGroups):
             return False
-        elif self._group_edges != other._group_edges:
+        elif self.group_edges != other.group_edges:
             return False
 
-    def generate_bin_edges(self, start, stop, num_groups, type='linear'):
+    def generate_bin_edges(self, start, stop, num_groups, spacing='linear'):
         """Generate equally or logarithmically-spaced energy group boundaries.
 
         Parameters
@@ -82,7 +83,7 @@ class EnergyGroups(object):
             The highest energy in MeV
         num_groups : Integral
             The number of energy groups
-        type : str
+        spacing : str
             The spacing between groups ('linear' or 'logarithmic')
 
         """
@@ -90,15 +91,15 @@ class EnergyGroups(object):
         cv.check_type('first edge', start, Real)
         cv.check_type('last edge', stop, Real)
         cv.check_type('number of groups', num_groups, Integral)
-        cv.check_type('type', type, basestring)
+        cv.check_type('spacing', spacing, basestring)
         cv.check_greater_than('first edge', start, 0, True)
         cv.check_greater_than('first edge', stop, start, False)
         cv.check_greater_than('number of groups', num_groups, 0)
-        cv.check_value('type', type, ('linear', 'logarithmic'))
+        cv.check_value('spacing', spacing, ('linear', 'logarithmic'))
 
-        if type == 'linear':
+        if spacing == 'linear':
             self.group_edges = np.linspace(start, stop, num_groups+1)
-        elif type == 'logarithmic':
+        elif spacing == 'logarithmic':
             self.group_edges = \
                 np.logspace(np.log10(start), np.log10(stop), num_groups+1)
 
@@ -160,7 +161,7 @@ class EnergyGroups(object):
 
         lower = self.group_edges[self.num_groups-group]
         upper = self.group_edges[self.num_groups-group+1]
-        return (lower, upper)
+        return lower, upper
 
     def get_group_indices(self, groups='all'):
         """Returns the array indices for one or more energy groups.

openmc/statepoint.py

@@ -663,6 +663,8 @@ class StatePoint(object):
         # Iterate over all tallies to find the appropriate one
         for tally_id, test_tally in self.tallies.items():
 
+            print(test_tally)
+
             # Determine if Tally has queried name
             if name and name != test_tally.name:
                 continue
@@ -673,6 +675,7 @@ class StatePoint(object):
 
             # Determine if Tally has queried estimator
             if estimator and not estimator == test_tally.estimator:
+                print('estimator')
                 continue
 
             # Determine if Tally has the queried score(s)
@@ -686,6 +689,7 @@ class StatePoint(object):
                         break
 
                 if not contains_scores:
+                    print('scores')
                     continue
 
             # Determine if Tally has the queried Filter(s)
@@ -699,6 +703,7 @@ class StatePoint(object):
                         break
 
                 if not contains_filters:
+                    print('filters')
                     continue
 
             # Determine if Tally has the queried Nuclide(s)
@@ -712,6 +717,7 @@ class StatePoint(object):
                         break
 
                 if not contains_nuclides:
+                    print('nuclides')
                     continue
 
             # If the current Tally met user's request, break loop and return it

openmc/summary.py

@@ -264,7 +264,7 @@ class Summary(object):
 
                 if maps > 0:
                     offset = self._f['geometry/cells'][key]['offset'][...]
-                    cell.set_offset(offset)
+                    cell.offsets = offset
 
                 translated = self._f['geometry/cells'][key]['translated'][0]
                 if translated:

openmc/tallies.py

@@ -114,10 +114,10 @@ class Tally(object):
             clone.estimator = self.estimator
             clone.num_score_bins = self.num_score_bins
             clone.num_realizations = self.num_realizations
-            clone._sum = copy.deepcopy(self.sum, memo)
-            clone._sum_sq = copy.deepcopy(self.sum_sq, memo)
-            clone._mean = copy.deepcopy(self.mean, memo)
-            clone._std_dev = copy.deepcopy(self.std_dev, memo)
+            clone._sum = copy.deepcopy(self._sum, memo)
+            clone._sum_sq = copy.deepcopy(self._sum_sq, memo)
+            clone._mean = copy.deepcopy(self._mean, memo)
+            clone._std_dev = copy.deepcopy(self._std_dev, memo)
             clone._with_summary = self.with_summary
             clone._with_batch_statistics = self.with_batch_statistics
             clone._derived = self.derived
@@ -828,7 +828,7 @@ class Tally(object):
             parameter (e.g., [(1,), (0., 0.625e-6)]; default is []). Each bin
             in the list is the integer ID for 'material', 'surface', 'cell',
             'cellborn', and 'universe' Filters. Each bin is an integer for the
-            cell instance ID for 'distribcell Filters. Each bin is a 2-tuple of
+            cell instance ID for 'distribcell' Filters. Each bin is a 2-tuple of
             floats for 'energy' and 'energyout' filters corresponding to the
             energy boundaries of the bin of interest.  The bin is a (x,y,z)
             3-tuple for 'mesh' filters corresponding to the mesh cell of
@@ -2128,6 +2128,14 @@ class TalliesFile(object):
         self._meshes = []
         self._tallies_file = ET.Element("tallies")
 
+    @property
+    def tallies(self):
+        return self._tallies
+
+    @property
+    def meshes(self):
+        return self._meshes
+
     def add_tally(self, tally, merge=False):
         """Add a tally to the file