From b005aace7e2014e0d6b211d760ab50b8e94ac3db Mon Sep 17 00:00:00 2001
From: Adam Nelson <nelsonag@umich.edu>
Date: Sat, 15 Oct 2016 11:33:00 -0400
Subject: [PATCH 01/10] Added a scatter_shape parameter to the library format
 and the ability to read/write it (but do nothing with it aside from check for
 the default value).  Also converted back from is checks in the python for a
 string to ==, since is does not work for many cases

---
 docs/source/io_formats/mgxs_library.rst |  74 +++++++++++------------
 openmc/mgxs/library.py                  |  62 ++++++++++----------
 openmc/mgxs_library.py                  |  75 +++++++++++++++---------
 scripts/openmc-update-mgxs              |  14 ++---
 src/mgxs_header.F90                     |   7 +++
 tests/1d_mgxs.h5                        | Bin 123864 -> 124632 bytes
 6 files changed, 128 insertions(+), 104 deletions(-)

diff --git a/docs/source/io_formats/mgxs_library.rst b/docs/source/io_formats/mgxs_library.rst
index 9262a234e7..2a1e63d435 100644
--- a/docs/source/io_formats/mgxs_library.rst
+++ b/docs/source/io_formats/mgxs_library.rst
@@ -38,10 +38,10 @@ MGXS Library Specification
 The data within <library name> contains the temperature-dependent multi-group
 data for the nuclide or material that it represents.
 
-:Attributes: - **atomic_weight_ratio** (*double*) -- The atomic weight ratio (optional,
-               i.e. it is not meaningful for material-wise data)
-             - **fissionable** (*int*) -- Whether the dataset is fissionable
-               (1) or not (0).
+:Attributes: - **atomic_weight_ratio** (*double*) -- The atomic weight ratio
+               (optional, i.e. it is not meaningful for material-wise data).
+             - **fissionable** (*bool*) -- Whether the dataset is fissionable
+               (True) or not (False).
              - **representation** (*char[]*) -- The method used to generate and
                represent the multi-group cross sections.  That is, whether they
                were generated with scalar flux weighting (or reduced to a
@@ -65,6 +65,15 @@ data for the nuclide or material that it represents.
                or number of points (depending on the value of `scatter_format`)
                used to describe the angular distribution associated with each
                group-to-group transfer probability.
+             - **scatter_shape** (*char[]*) -- The shape of the provided
+               scatter and multiplicity matrix. The values provided are strings
+               describing the ordering the scattering array is provided in
+               row-major (i.e., C/C++ and Python) indexing. Valid values are
+               "[Order][G][G']" or "[Order][G'][G]" where "G'" denotes the
+               secondary/outgoing energy groups, "G" denotes the incoming
+               energy groups, and "Order" is the angular distribution index.
+               This value is not required; if not the default value of
+               "[Order][G][G']" will be assumed.
 
 **/<library name>/kTs/**
 
@@ -79,29 +88,29 @@ Temperature-dependent data, provided for temperature <TTT>K.
 :Datasets: - **total** (*double[]* or *double[][][]*) -- Total cross section.
              This is a 1-D vector if `representation` is "isotropic", or a 3-D
              vector if `representation` is "angle" with dimensions of
-             [groups, azimuthal, polar].
+             [groups][azimuthal][polar].
            - **absorption** (*double[]* or *double[][][]*) -- Absorption
              cross section.
              This is a 1-D vector if `representation` is "isotropic", or a 3-D
              vector if `representation` is "angle" with dimensions of
-             [groups, azimuthal, polar].
+             [groups][azimuthal][polar].
            - **fission** (*double[]* or *double[][][]*) -- Fission
              cross section.
              This is a 1-D vector if `representation` is "isotropic", or a 3-D
              vector if `representation` is "angle" with dimensions of
-             [groups, azimuthal, polar].  This is only required if the dataset
+             [groups][azimuthal][polar].  This is only required if the dataset
              is fissionable and fission-tallies are expected to be used.
            - **kappa-fission** (*double[]* or *double[][][]*) -- Kappa-Fission
              (energy-release from fission) cross section.
              This is a 1-D vector if `representation` is "isotropic", or a 3-D
              vector if `representation` is "angle" with dimensions of
-             [groups, azimuthal, polar].  This is only required if the dataset
+             [groups][azimuthal][polar].  This is only required if the dataset
              is fissionable and fission-tallies are expected to be used.
            - **chi** (*double[]* or *double[][][]*) -- Fission neutron energy
              spectra.
              This is a 1-D vector if `representation` is "isotropic", or a 3-D
              vector if `representation` is "angle" with dimensions of
-             [groups, azimuthal, polar].  This is only required if the dataset
+             [groups][azimuthal][polar].  This is only required if the dataset
              is fissionable and fission-tallies are expected to be used.
            - **nu-fission** (*double[]* to *double[][][][]*) -- Nu-Fission
              cross section.
@@ -119,34 +128,30 @@ Temperature-dependent data, provided for temperature <TTT>K.
 Data specific to neutron scattering for the temperature <TTT>K
 
 :Datasets: - **g_min** (*int[]* or *int[][][]*) --
-             Minimum (most energetic) outgoing groups with non-zero values of
-             the scattering matrix. These group numbers use the standard
+             Minimum (most energetic) groups with non-zero values of
+             the scattering matrix provided.  If `scatter_shape` is
+             "[Order][G][G']" then `g_min` will describe the minimum values
+             of "G'" for each "G"; if `scatter_shape` is "[Order][G'][G]"
+             then `g_min` will describe the minimum values of "G" for each "G'".
+             These group numbers use the standard
              ordering where the fastest neutron energy group is group 1 while
              the slowest neutron energy group is group G.
              The dimensionality of `g_min` is:
-             `g_min[g_in]`, or `g_min[num_polar][num_azimuthal][g_in]`.
+             `g_min[g]`, or `g_min[num_polar][num_azimuthal][g]`.
              The former is used when `representation` is "isotropic", and the
              latter when `representation` is "angle".
            - **g_max** (*int[]* or *int[][][]*) --
-             Maximum (least energetic) outgoing groups with non-zero values of
-             the scattering matrix. These group numbers use the standard
-             ordering where the fastest neutron energy group is group 1 while
-             the slowest neutron energy group is group G.
-             The dimensionality of `g_max` is:
-             `g_max[g_in]`, or `g_max[num_polar][num_azimuthal][g_in]`.
-             The former is used when `representation` is "isotropic", and the
-             latter when `representation` is "angle".
+             Similar to `g_min`, except this dataset describes the maximum
+             (least energetic) groups with non-zero values of
+             the scattering matrix.
            - **scatter_matrix** (*double[]*) -- Flattened representation of the
-             scattering moment matrices. The pre-flattened array is shaped as
-             follows (in row-major format):
-             `scatter_matrix[order(+1)][g_in][g_out]`, or
-             `scatter_matrix[num_polar][num_azimuthal][order(+1)][g_in][g_out]`
-             The former is used when `representation` is "isotropic", and the
-             latter when `representation` is "angle".  Note that if the value of
-             `scatter_format` is "legendre", the order dimension will be one
-             larger than the value of `order`, otherwise it will match `order`.
-             Finally, the g_out dimension has a dimensionality of
-             `g_min` to `g_max`.
+             scattering moment matrices. The pre-flattened array corresponds to
+             the shape provied in `scatter_shape`, but if `representation` is
+             "angle" the dimensionality in `scatter_shape` is prepended by
+             "[num_polar][num_azimuthal]" dimensions. The right-most energy
+             group dimension will only include the entries between `g_min` and
+             `g_max`.
+             dimension has a dimensionality of `g_min` to `g_max`.
            - **multiplicity_matrix** (*double[]*) -- Flattened representation of
              the scattering moment matrices. This dataset provides the code with
              a scaling factor to account for neutrons being produced in (n,xn)
@@ -154,9 +159,6 @@ Data specific to neutron scattering for the temperature <TTT>K
              for every Legendre moment or histogram/tabular bin. This dataset is
              optional, if it is not provided no multiplication (i.e., values of
              1.0) will be assumed.
-             The pre-flattened array is shaped as follows (in row-major format):
-             `multiplicity_matrix[g_in][g_out]`, or
-             `multiplicity_matrix[num_polar][num_azimuthal][g_in][g_out]`
-             The former is used when `representation` is "isotropic", and the
-             latter when `representation` is "angle". Finally, the g_out
-             dimension has a dimensionality of `g_min` to `g_max`.
\ No newline at end of file
+             The pre-flattened array is shapes consistent with `scatter_matrix`
+             except the "[Order]" dimension in `scatter_shape` is ignored since
+             this data is assumed isotropic.
\ No newline at end of file
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 64210606df..c03aa78771 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -186,14 +186,14 @@ class Library(object):
 
     @property
     def domains(self):
-        if self._domains is 'all':
-            if self.domain_type is 'material':
+        if self._domains == 'all':
+            if self.domain_type == 'material':
                 return self.openmc_geometry.get_all_materials()
             elif self.domain_type in ['cell', 'distribcell']:
                 return self.openmc_geometry.get_all_material_cells()
-            elif self.domain_type is 'universe':
+            elif self.domain_type == 'universe':
                 return self.openmc_geometry.get_all_universes()
-            elif self.domain_type is 'mesh':
+            elif self.domain_type == 'mesh':
                 raise ValueError('Unable to get domains for Mesh domain type')
             else:
                 raise ValueError('Unable to get domains without a domain type')
@@ -265,7 +265,7 @@ class Library(object):
     @mgxs_types.setter
     def mgxs_types(self, mgxs_types):
         all_mgxs_types = openmc.mgxs.MGXS_TYPES + openmc.mgxs.MDGXS_TYPES
-        if mgxs_types is 'all':
+        if mgxs_types == 'all':
             self._mgxs_types = all_mgxs_types
         else:
             cv.check_iterable_type('mgxs_types', mgxs_types, basestring)
@@ -277,7 +277,7 @@ class Library(object):
     def by_nuclide(self, by_nuclide):
         cv.check_type('by_nuclide', by_nuclide, bool)
 
-        if by_nuclide == True and self.domain_type is 'mesh':
+        if by_nuclide == True and self.domain_type == 'mesh':
             raise ValueError('Unable to create MGXS library by nuclide with '
                              'mesh domain')
 
@@ -287,7 +287,7 @@ class Library(object):
     def domain_type(self, domain_type):
         cv.check_value('domain type', domain_type, openmc.mgxs.DOMAIN_TYPES)
 
-        if self.by_nuclide == True and domain_type is 'mesh':
+        if self.by_nuclide == True and domain_type == 'mesh':
             raise ValueError('Unable to create MGXS library by nuclide with '
                              'mesh domain')
 
@@ -297,21 +297,21 @@ class Library(object):
     def domains(self, domains):
 
         # Use all materials, cells or universes in the geometry as domains
-        if domains is 'all':
+        if domains == 'all':
             self._domains = domains
 
         # User specified a list of material, cell or universe domains
         else:
-            if self.domain_type is 'material':
+            if self.domain_type == 'material':
                 cv.check_iterable_type('domain', domains, openmc.Material)
                 all_domains = self.openmc_geometry.get_all_materials()
             elif self.domain_type in ['cell', 'distribcell']:
                 cv.check_iterable_type('domain', domains, openmc.Cell)
                 all_domains = self.openmc_geometry.get_all_material_cells()
-            elif self.domain_type is 'universe':
+            elif self.domain_type == 'universe':
                 cv.check_iterable_type('domain', domains, openmc.Universe)
                 all_domains = self.openmc_geometry.get_all_universes()
-            elif self.domain_type is 'mesh':
+            elif self.domain_type == 'mesh':
                 cv.check_iterable_type('domain', domains, openmc.Mesh)
 
                 # The mesh and geometry are independent, so set all_domains
@@ -355,7 +355,7 @@ class Library(object):
     def correction(self, correction):
         cv.check_value('correction', correction, ('P0', None))
 
-        if correction is 'P0' and self.legendre_order > 0:
+        if correction == 'P0' and self.legendre_order > 0:
             warn('The P0 correction will be ignored since the scattering '
                  'order "{}" is greater than zero'.format(self.legendre_order))
 
@@ -367,7 +367,7 @@ class Library(object):
         cv.check_greater_than('legendre_order', legendre_order, 0, equality=True)
         cv.check_less_than('legendre_order', legendre_order, 10, equality=True)
 
-        if self.correction is 'P0' and legendre_order > 0:
+        if self.correction == 'P0' and legendre_order > 0:
             msg = 'The P0 correction will be ignored since the scattering ' \
                   'order {} is greater than zero'.format(self.legendre_order)
             warn(msg, RuntimeWarning)
@@ -505,7 +505,7 @@ class Library(object):
         self._openmc_geometry = statepoint.summary.openmc_geometry
         self._nuclides = statepoint.summary.nuclides
 
-        if statepoint.run_mode is 'k-eigenvalue':
+        if statepoint.run_mode == 'k-eigenvalue':
             self._keff = statepoint.k_combined[0]
 
         # Load tallies for each MGXS for each domain and mgxs type
@@ -543,13 +543,13 @@ class Library(object):
 
         """
 
-        if self.domain_type is 'material':
+        if self.domain_type == 'material':
             cv.check_type('domain', domain, (openmc.Material, Integral))
-        elif self.domain_type is 'cell' or self.domain_type is 'distribcell':
+        elif self.domain_type == 'cell' or self.domain_type == 'distribcell':
             cv.check_type('domain', domain, (openmc.Cell, Integral))
-        elif self.domain_type is 'universe':
+        elif self.domain_type == 'universe':
             cv.check_type('domain', domain, (openmc.Universe, Integral))
-        elif self.domain_type is 'mesh':
+        elif self.domain_type == 'mesh':
             cv.check_type('domain', domain, (openmc.Mesh, Integral))
 
         # Check that requested domain is included in library
@@ -662,7 +662,7 @@ class Library(object):
         # Clone this Library to initialize the subdomain-averaged version
         subdomain_avg_library = copy.deepcopy(self)
 
-        if subdomain_avg_library.domain_type is 'distribcell':
+        if subdomain_avg_library.domain_type == 'distribcell':
             subdomain_avg_library.domain_type = 'cell'
         else:
             return subdomain_avg_library
@@ -671,7 +671,7 @@ class Library(object):
         for domain in self.domains:
             for mgxs_type in self.mgxs_types:
                 mgxs = subdomain_avg_library.get_mgxs(domain, mgxs_type)
-                if mgxs.domain_type is 'distribcell':
+                if mgxs.domain_type == 'distribcell':
                     avg_mgxs = mgxs.get_subdomain_avg_xs()
                     subdomain_avg_library.all_mgxs[domain.id][mgxs_type] = avg_mgxs
 
@@ -751,7 +751,7 @@ class Library(object):
             for mgxs_type in self.mgxs_types:
                 mgxs = self.all_mgxs[domain.id][mgxs_type]
 
-                if subdomains is 'avg':
+                if subdomains == 'avg':
                     mgxs = mgxs.get_subdomain_avg_xs()
 
                 mgxs.build_hdf5_store(filename, directory, xs_type=xs_type,
@@ -896,7 +896,7 @@ class Library(object):
 
         # Build & add metadata to XSdata object
         name = xsdata_name
-        if nuclide is not 'total':
+        if nuclide != 'total':
             name += '_' + nuclide
         xsdata = openmc.XSdata(name, self.energy_groups)
 
@@ -912,7 +912,7 @@ class Library(object):
         self.scatter_format = 'legendre'
         self.representation = 'isotropic'
 
-        if nuclide is not 'total':
+        if nuclide != 'total':
             xsdata.atomic_weight_ratio = self._nuclides[nuclide][1]
 
         if subdomain is None:
@@ -921,7 +921,7 @@ class Library(object):
             subdomain = [subdomain]
 
         # Now get xs data itself
-        if 'nu-transport' in self.mgxs_types and self.correction is 'P0':
+        if 'nu-transport' in self.mgxs_types and self.correction == 'P0':
             mymgxs = self.get_mgxs(domain, 'nu-transport')
             xsdata.set_total_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuclide],
                                   subdomain=subdomain)
@@ -1056,7 +1056,7 @@ class Library(object):
         # Initialize file
         mgxs_file = openmc.MGXSLibrary(self.energy_groups)
 
-        if self.domain_type is 'mesh':
+        if self.domain_type == 'mesh':
             # Create the xsdata objects and add to the mgxs_file
             i = 0
             for domain in self.domains:
@@ -1089,7 +1089,7 @@ class Library(object):
                         xsdata_name = 'set' + str(i + 1)
                     else:
                         xsdata_name = xsdata_names[i]
-                    if nuclide is not 'total':
+                    if nuclide != 'total':
                         xsdata_name += '_' + nuclide
 
                     xsdata = self.get_xsdata(domain, xsdata_name,
@@ -1159,14 +1159,14 @@ class Library(object):
         # the multiple meshes could be overlapping or in disparate regions
         # of the continuous energy model. The next step makes sure there is
         # only one before continuing.
-        if self.domain_type is 'mesh':
+        if self.domain_type == 'mesh':
             cv.check_length("domains", self.domains, 1, 1)
 
         # Get the MGXS File Data
         mgxs_file = self.create_mg_library('macro', xsdata_names)
 
         # Now move on the creating the geometry and assigning materials
-        if self.domain_type is 'mesh':
+        if self.domain_type == 'mesh':
             root = openmc.Universe(name='root', universe_id=0)
 
             # Add cells representative of the mesh with reflective BC
@@ -1212,13 +1212,13 @@ class Library(object):
                 materials.append(material)
 
                 # Differentiate Geometry with new Material
-                if self.domain_type is 'material':
+                if self.domain_type == 'material':
                     # Fill all appropriate Cells with new Material
                     for cell in all_cells:
                         if cell.fill.id == domain.id:
                             cell.fill = material
 
-                elif self.domain_type is 'cell':
+                elif self.domain_type == 'cell':
                     for cell in all_cells:
                         if cell.id == domain.id:
                             cell.fill = material
@@ -1283,7 +1283,7 @@ class Library(object):
              ('nu-transport' not in self.mgxs_types))):
             error_flag = True
             warn('A "nu-transport" MGXS type is required since a "P0" '
-                 'correction is applied, but a "nu-transport" MGXS is '
+                 'correction is applied, but a "nu-transport" MGXS == '
                  'not provided.')
         elif (((self.correction is None) and
                ('total' not in self.mgxs_types))):
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index edddd0bfac..35dff1223a 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -8,7 +8,7 @@ import h5py
 import openmc
 import openmc.mgxs
 from openmc.checkvalue import check_type, check_value, check_greater_than, \
-    check_less_than, check_iterable_type
+    check_iterable_type
 
 if sys.version_info[0] >= 3:
     basestring = str
@@ -16,6 +16,7 @@ if sys.version_info[0] >= 3:
 # Supported incoming particle MGXS angular treatment representations
 _REPRESENTATIONS = ['isotropic', 'angle']
 _SCATTER_TYPES = ['tabular', 'legendre', 'histogram']
+_SCATTER_SHAPES = ["[Order][G][G']"]
 
 
 class XSdata(object):
@@ -51,6 +52,8 @@ class XSdata(object):
         Whether or not this is a fissionable data set.
     scatter_format : {'legendre', 'histogram', or 'tabular'}
         Angular distribution representation (legendre, histogram, or tabular)
+    scatter_shapes : {"[Order][G][G']"}
+        Dimensionality of the scattering and multiplicity matrices
     order : int
         Either the Legendre order, number of bins, or number of points used to
         describe the angular distribution associated with each group-to-group
@@ -106,8 +109,8 @@ class XSdata(object):
         :attr:`XSdata.nu_fission` attribute instead.
     nu_fission : dict of numpy.ndarray
         Group-wise fission production cross section vector (i.e., if
-        :attr:`XSdata.chi` is provided), or is the group-wise fission production
-        matrix.
+        :attr:`XSdata.chi` is provided), or is the group-wise fission
+        production matrix.
     inverse_velocities : dict of numpy.ndarray
         Inverse of velocities, in units of sec/cm.
 
@@ -142,6 +145,7 @@ class XSdata(object):
         self._atomic_weight_ratio = None
         self._fissionable = False
         self._scatter_format = 'legendre'
+        self._scatter_shape = "[Order][G][G']"
         self._order = None
         self._num_polar = None
         self._num_azimuthal = None
@@ -184,6 +188,10 @@ class XSdata(object):
     def scatter_format(self):
         return self._scatter_format
 
+    @property
+    def scatter_shape(self):
+        return self._scatter_shape
+
     @property
     def order(self):
         return self._order
@@ -242,28 +250,28 @@ class XSdata(object):
 
     @property
     def vector_shape(self):
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             return (self.energy_groups.num_groups,)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             return (self.num_polar, self.num_azimuthal,
                     self.energy_groups.num_groups)
 
     @property
     def matrix_shape(self):
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             return (self.energy_groups.num_groups,
                     self.energy_groups.num_groups)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             return (self.num_polar, self.num_azimuthal,
                     self.energy_groups.num_groups,
                     self.energy_groups.num_groups)
 
     @property
     def pn_matrix_shape(self):
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             return (self.num_orders, self.energy_groups.num_groups,
                     self.energy_groups.num_groups)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             return (self.num_polar, self.num_azimuthal, self.num_orders,
                     self.energy_groups.num_groups,
                     self.energy_groups.num_groups)
@@ -309,6 +317,12 @@ class XSdata(object):
         check_value('scatter_format', scatter_format, _SCATTER_TYPES)
         self._scatter_format = scatter_format
 
+    @scatter_shape.setter
+    def scatter_shape(self, scatter_shape):
+        # check to see it is of a valid type and value
+        check_value('scatter_shape', scatter_shape, _SCATTER_SHAPES)
+        self._scatter_shape = scatter_shape
+
     @order.setter
     def order(self, order):
         # Check type and value
@@ -694,10 +708,10 @@ class XSdata(object):
         check_value('temperature', temperature, self.temperatures)
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             self._total[i] = total.get_xs(nuclides=nuclide, xs_type=xs_type,
                                           subdomains=subdomain)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
 
@@ -740,11 +754,11 @@ class XSdata(object):
         check_value('temperature', temperature, self.temperatures)
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             self._absorption[i] = absorption.get_xs(nuclides=nuclide,
                                                     xs_type=xs_type,
                                                     subdomains=subdomain)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
 
@@ -787,11 +801,11 @@ class XSdata(object):
         check_value('temperature', temperature, self.temperatures)
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             self._fission[i] = fission.get_xs(nuclides=nuclide,
                                               xs_type=xs_type,
                                               subdomains=subdomain)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
 
@@ -835,11 +849,11 @@ class XSdata(object):
         check_value('temperature', temperature, self.temperatures)
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             self._nu_fission[i] = nu_fission.get_xs(nuclides=nuclide,
                                                     xs_type=xs_type,
                                                     subdomains=subdomain)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
 
@@ -892,11 +906,11 @@ class XSdata(object):
         check_value('temperature', temperature, self.temperatures)
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             self._kappa_fission[i] = k_fission.get_xs(nuclides=nuclide,
                                                       xs_type=xs_type,
                                                       subdomains=subdomain)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
 
@@ -943,10 +957,10 @@ class XSdata(object):
         check_value('temperature', temperature, self.temperatures)
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             self._chi[i] = chi.get_xs(nuclides=nuclide,
                                       xs_type=xs_type, subdomains=subdomain)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
 
@@ -994,7 +1008,7 @@ class XSdata(object):
         check_type('temperature', temperature, Real)
         check_value('temperature', temperature, self.temperatures)
 
-        if self.scatter_format is not 'legendre':
+        if self.scatter_format != 'legendre':
             msg = 'Anisotropic scattering representations other than ' \
                   'Legendre expansions have not yet been implemented in ' \
                   'openmc.mgxs.'
@@ -1011,7 +1025,7 @@ class XSdata(object):
                         [self.order])
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             # Get the scattering orders in the outermost dimension
             self._scatter_matrix[i] = np.zeros((self.num_orders,
                                                 self.energy_groups.num_groups,
@@ -1021,7 +1035,7 @@ class XSdata(object):
                     scatter.get_xs(nuclides=nuclide, xs_type=xs_type,
                                    moment=moment, subdomains=subdomain)
 
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
 
@@ -1089,7 +1103,7 @@ class XSdata(object):
                         ['universe', 'cell', 'material', 'mesh'])
 
         i = np.where(self.temperatures == temperature)[0][0]
-        if self.representation is 'isotropic':
+        if self.representation == 'isotropic':
             nuscatt = nuscatter.get_xs(nuclides=nuclide,
                                        xs_type=xs_type, moment=0,
                                        subdomains=subdomain)
@@ -1100,7 +1114,7 @@ class XSdata(object):
                                        xs_type=xs_type, moment=0,
                                        subdomains=subdomain)
                 self._multiplicity_matrix[i] = np.divide(nuscatt, scatt)
-        elif self.representation is 'angle':
+        elif self.representation == 'angle':
             msg = 'Angular-Dependent MGXS have not yet been implemented'
             raise ValueError(msg)
         self._multiplicity_matrix[i] = \
@@ -1123,7 +1137,7 @@ class XSdata(object):
         if self.representation is not None:
             grp.attrs['representation'] = np.array(self.representation,
                                                    dtype='S')
-            if self.representation is 'angle':
+            if self.representation == 'angle':
                 if self.num_azimuthal is not None:
                     grp.attrs['num_azimuthal'] = self.num_azimuthal
                 if self.num_polar is not None:
@@ -1131,6 +1145,9 @@ class XSdata(object):
         if self.scatter_format is not None:
             grp.attrs['scatter_format'] = np.array(self.scatter_format,
                                                    dtype='S')
+        if self.scatter_shape is not None:
+            grp.attrs['scatter_shape'] = np.array(self.scatter_shape,
+                                                  dtype='S')
         if self.order is not None:
             grp.attrs['order'] = self.order
 
@@ -1170,7 +1187,7 @@ class XSdata(object):
 
             # Get the sparse scattering data to print to the library
             G = self.energy_groups.num_groups
-            if self.representation is 'isotropic':
+            if self.representation == 'isotropic':
                 g_out_bounds = np.zeros((G, 2), dtype=np.int)
                 for g_in in range(G):
                     nz = np.nonzero(self._scatter_matrix[i][0, g_in, :])
@@ -1206,7 +1223,7 @@ class XSdata(object):
                 scatt_grp.create_dataset("g_min", data=g_out_bounds[:, 0])
                 scatt_grp.create_dataset("g_max", data=g_out_bounds[:, 1])
 
-            elif self.representation is 'angle':
+            elif self.representation == 'angle':
                 Np = self.num_polar
                 Na = self.num_azimuthal
                 g_out_bounds = np.zeros((Np, Na, G, 2), dtype=np.int)
diff --git a/scripts/openmc-update-mgxs b/scripts/openmc-update-mgxs
index 6122ff6262..658be9fef7 100755
--- a/scripts/openmc-update-mgxs
+++ b/scripts/openmc-update-mgxs
@@ -47,14 +47,12 @@ def parse_args():
                         help='input XML file')
     parser.add_argument('-o', '--output', nargs='?', default='',
                         help='output file, in HDF5 format')
-    parser.add_argument('-c', '--compression', type=int,
-                        help='HDF5 Compression Level')
     args = vars(parser.parse_args())
 
-    if args['output'] is '':
+    if args['output'] == '':
         filename = args['input'].name
         extension = filenameos.path.splitext()
-        if extension is '.xml':
+        if extension == '.xml':
             filename = filename[:filename.rfind('.')] + '.h5'
         args['output'] = filename
 
@@ -75,7 +73,7 @@ def get_data(element, entry):
     return value
 
 
-if __name__ is '__main__':
+if __name__ == '__main__':
     args = parse_args()
 
     # Parse the XML data.
@@ -117,7 +115,7 @@ if __name__ is '__main__':
         representation = get_data(xsdata_elem, 'representation')
         if representation is None:
             representation = 'isotropic'
-        if representation is 'angle':
+        if representation == 'angle':
             n_azi = int(get_data(xsdata_elem, 'num_azimuthal'))
             n_pol = int(get_data(xsdata_elem, 'num_polar'))
 
@@ -146,14 +144,14 @@ if __name__ is '__main__':
                                      representation=representation))
             if awr is not None:
                 xsd[-1].atomic_weight_ratio = awr
-            if representation is 'angle':
+            if representation == 'angle':
                 xsd[-1].num_azimuthal = n_azi
                 xsd[-1].num_polar = n_pol
             xsd[-1].scatter_format = scatter_format
             xsd[-1].order = order
             names.append(name)
 
-        if scatter_format is 'legendre':
+        if scatter_format == 'legendre':
             order_dim = order + 1
         else:
             order_dim = order
diff --git a/src/mgxs_header.F90 b/src/mgxs_header.F90
index ddce50be38..cbdf470b02 100644
--- a/src/mgxs_header.F90
+++ b/src/mgxs_header.F90
@@ -338,6 +338,13 @@ module mgxs_header
       else
         this % scatter_format = ANGLE_LEGENDRE
       end if
+      if (attribute_exists(xs_id, "scatter_shape")) then
+        call read_attribute(temp_str, xs_id, "scatter_shape")
+        temp_str = trim(temp_str)
+        if (to_lower(temp_str) /= "[order][g][g']") then
+          call fatal_error("Invalid scatter_shape option!")
+        end if
+      end if
       if (attribute_exists(xs_id, "fissionable")) then
         call read_attribute(this % fissionable, xs_id, "fissionable")
       else
diff --git a/tests/1d_mgxs.h5 b/tests/1d_mgxs.h5
index 401fe02fc54bedac6d1b5443db23a923de30c5f0..3befba194015f15f271447424bd93c7163e81324 100644
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From c1dd7df7dd83ff973ccbb2d080b3f686a48fe823 Mon Sep 17 00:00:00 2001
From: Adam Nelson <nelsonag@umich.edu>
Date: Sat, 15 Oct 2016 15:15:50 -0400
Subject: [PATCH 02/10] Increased MG mode test coverage from 63% to 74%.

---
 src/mgxs_header.F90                          |    2 +-
 src/tally.F90                                |    2 +
 tests/input_set.py                           |   85 +-
 tests/test_mg_basic/inputs_true.dat          |    2 +-
 tests/test_mg_basic/results_true.dat         |    2 +-
 tests/test_mg_max_order/inputs_true.dat      |    2 +-
 tests/test_mg_max_order/results_true.dat     |    2 +-
 tests/test_mg_max_order/test_mg_max_order.py |   75 +-
 tests/test_mg_nuclide/inputs_true.dat        |    2 +-
 tests/test_mg_nuclide/results_true.dat       |    2 +-
 tests/test_mg_nuclide/test_mg_nuclide.py     |   73 +-
 tests/test_mg_tallies/inputs_true.dat        |    2 +-
 tests/test_mg_tallies/results_true.dat       | 3604 ++++--------------
 tests/test_mg_tallies/test_mg_tallies.py     |   58 +-
 14 files changed, 819 insertions(+), 3094 deletions(-)

diff --git a/src/mgxs_header.F90 b/src/mgxs_header.F90
index cbdf470b02..e223238589 100644
--- a/src/mgxs_header.F90
+++ b/src/mgxs_header.F90
@@ -1865,7 +1865,7 @@ module mgxs_header
 
       integer :: iazi, ipol, t
 
-      t = this % index_temp
+      t = this % index_temp 
 
       if (present(uvw)) then
         call find_angle(this % polar, this % azimuthal, uvw, iazi, ipol)
diff --git a/src/tally.F90 b/src/tally.F90
index 24c1b94950..b12bc0a970 100644
--- a/src/tally.F90
+++ b/src/tally.F90
@@ -1149,6 +1149,8 @@ contains
     ! Do same for nucxs, point it to the microscopic nuclide data of interest
     if (i_nuclide > 0) then
       nucxs => nuclides_MG(i_nuclide) % obj
+      ! And since we haven't calculated this temperature index yet, do so now
+      call nucxs % find_temperature(p % sqrtkT)
     end if
 
     i = 0
diff --git a/tests/input_set.py b/tests/input_set.py
index 62c4abd5eb..c62fc5914b 100644
--- a/tests/input_set.py
+++ b/tests/input_set.py
@@ -728,60 +728,59 @@ class AssemblyInputSet(object):
 
 
 class MGInputSet(InputSet):
-    def build_default_materials_and_geometry(self):
+    def build_default_materials_and_geometry(self, reps=None, as_macro=True):
         # Define materials needed for 1D/1G slab problem
-        uo2_data = openmc.Macroscopic('uo2_iso')
-        uo2 = openmc.Material(name='UO2', material_id=1)
-        uo2.set_density('macro', 1.0)
-        uo2.add_macroscopic(uo2_data)
+        mat_names = ['uo2', 'clad', 'lwtr']
+        mgxs_reps = ['ang', 'ang_mu', 'iso', 'iso_mu']
 
-        clad_data = openmc.Macroscopic('clad_ang_mu')
-        clad = openmc.Material(name='Clad', material_id=2)
-        clad.set_density('macro', 1.0)
-        clad.add_macroscopic(clad_data)
+        if reps is None:
+            reps = mgxs_reps
 
-        water_data = openmc.Macroscopic('lwtr_iso_mu')
-        water = openmc.Material(name='LWTR', material_id=3)
-        water.set_density('macro', 1.0)
-        water.add_macroscopic(water_data)
+        xs = []
+        mats = []
+        i = 0
+        for mat in mat_names:
+            for rep in reps:
+                i += 1
+                if as_macro:
+                    xs.append(openmc.Macroscopic(mat + '_' + rep))
+                    mats.append(openmc.Material(name=str(i)))
+                    mats[-1].set_density('macro', 1.)
+                    mats[-1].add_macroscopic(xs[-1])
+                else:
+                    xs.append(openmc.Nuclide(mat + '_' + rep))
+                    mats.append(openmc.Material(name=str(i)))
+                    mats[-1].set_density('atom/b-cm', 1.)
+                    mats[-1].add_nuclide(xs[-1].name, 1.0, 'ao')
 
         # Define the materials file.
-        self.materials += (uo2, clad, water)
+        self.xs_data = xs
+        self.materials += mats
 
         # Define surfaces.
-
         # Assembly/Problem Boundary
-        left = openmc.XPlane(x0=0.0, surface_id=200,
-                             boundary_type='reflective')
-        right = openmc.XPlane(x0=10.0, surface_id=201,
-                              boundary_type='reflective')
-        bottom = openmc.YPlane(y0=0.0, surface_id=300,
-                               boundary_type='reflective')
-        top = openmc.YPlane(y0=10.0, surface_id=301,
-                            boundary_type='reflective')
+        left = openmc.XPlane(x0=0.0, boundary_type='reflective')
+        right = openmc.XPlane(x0=10.0, boundary_type='reflective')
+        bottom = openmc.YPlane(y0=0.0, boundary_type='reflective')
+        top = openmc.YPlane(y0=10.0, boundary_type='reflective')
+        # for each material add a plane
+        planes = [openmc.ZPlane(z0=0.0, boundary_type='reflective')]
+        dz = 5. / float(len(mats))
+        for i in range(len(mats) - 1):
+            planes.append(openmc.ZPlane(z0=dz * (i + 1)))
+        planes.append(openmc.ZPlane(z0=5.0, boundary_type='reflective'))
 
-        down = openmc.ZPlane(z0=0.0, surface_id=0,
-                             boundary_type='reflective')
-        fuel_clad_intfc = openmc.ZPlane(z0=2.0, surface_id=1)
-        clad_lwtr_intfc = openmc.ZPlane(z0=2.4, surface_id=2)
-        up = openmc.ZPlane(z0=5.0, surface_id=3,
-                           boundary_type='reflective')
-
-        # Define cells
-        c1 = openmc.Cell(cell_id=1)
-        c1.region = +left & -right & +bottom & -top & +down & -fuel_clad_intfc
-        c1.fill = uo2
-        c2 = openmc.Cell(cell_id=2)
-        c2.region = +left & -right & +bottom & -top & +fuel_clad_intfc & -clad_lwtr_intfc
-        c2.fill = clad
-        c3 = openmc.Cell(cell_id=3)
-        c3.region = +left & -right & +bottom & -top & +clad_lwtr_intfc & -up
-        c3.fill = water
+        # Define cells for each material
+        cells = []
+        xy = +left & -right & +bottom & -top
+        for i, mat in enumerate(mats):
+            cells.append(openmc.Cell())
+            cells[-1].region = xy & +planes[i] & -planes[i + 1]
+            cells[-1].fill = mat
 
         # Define root universe.
         root = openmc.Universe(universe_id=0, name='root universe')
-
-        root.add_cells((c1, c2, c3))
+        root.add_cells(cells)
 
         # Assign root universe to geometry
         self.geometry.root_universe = root
@@ -791,7 +790,7 @@ class MGInputSet(InputSet):
         self.settings.inactive = 5
         self.settings.particles = 100
         self.settings.source = Source(space=Box([0.0, 0.0, 0.0],
-                                                [10.0, 10.0, 2.0]))
+                                                [10.0, 10.0, 5.]))
         self.settings.energy_mode = "multi-group"
         self.settings.cross_sections = "../1d_mgxs.h5"
 
diff --git a/tests/test_mg_basic/inputs_true.dat b/tests/test_mg_basic/inputs_true.dat
index e44aa66a5b..31673c1335 100644
--- a/tests/test_mg_basic/inputs_true.dat
+++ b/tests/test_mg_basic/inputs_true.dat
@@ -1 +1 @@
-002fff0d8ba33340c9039f7650ece41bd26324d2e5c2816acc232adb298ae9dbd0873c5e28520df33ebe5af4c58e2ad338547ca337b2b42f53d255bff1ae314b
\ No newline at end of file
+c657f05432d9668f56e671a463ba08aed47103a33072d3f893146ff24fce6711ec41ba49c7d14a70b076cccb9a526375a4d8c1241e64e8167b8e0e876ae6655c
\ No newline at end of file
diff --git a/tests/test_mg_basic/results_true.dat b/tests/test_mg_basic/results_true.dat
index 7cdda73b5d..a367c60266 100644
--- a/tests/test_mg_basic/results_true.dat
+++ b/tests/test_mg_basic/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.047136E+00 2.765964E-02
+1.034509E+00 4.099331E-02
diff --git a/tests/test_mg_max_order/inputs_true.dat b/tests/test_mg_max_order/inputs_true.dat
index 9b5d32ce6c..375a7fe215 100644
--- a/tests/test_mg_max_order/inputs_true.dat
+++ b/tests/test_mg_max_order/inputs_true.dat
@@ -1 +1 @@
-8752d3167989d876c6f29b4b1ca7eed4b91793d8579c92de85633fd90235c67d63ee76d49081006047e0078f6f86eb6e3420c1f8fe44564e7a1fb62e828587d0
\ No newline at end of file
+b4adeb6b98d1d6310484c6623dde61ccfb02e0b8b9422c60d94cb65e556f3e2744c94cb3661a94aa365964acb463a6bd93cddf2dd954bfc36e316335b4a058f3
\ No newline at end of file
diff --git a/tests/test_mg_max_order/results_true.dat b/tests/test_mg_max_order/results_true.dat
index 4db04e0897..1fa95fb90a 100644
--- a/tests/test_mg_max_order/results_true.dat
+++ b/tests/test_mg_max_order/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.102093E+00 4.962190E-02
+1.099449E+00 1.956787E-02
diff --git a/tests/test_mg_max_order/test_mg_max_order.py b/tests/test_mg_max_order/test_mg_max_order.py
index da699316ca..8c7948a323 100644
--- a/tests/test_mg_max_order/test_mg_max_order.py
+++ b/tests/test_mg_max_order/test_mg_max_order.py
@@ -2,83 +2,26 @@
 
 import os
 import sys
+
 sys.path.insert(0, os.pardir)
-from testing_harness import TestHarness, PyAPITestHarness
+from testing_harness import PyAPITestHarness
 from input_set import MGInputSet
-import openmc
 
-class MGNuclideInputSet(MGInputSet):
-    def build_default_materials_and_geometry(self):
-        # Define materials needed for 1D/1G slab problem
-        uo2_data = openmc.Macroscopic('uo2_iso')
-        uo2 = openmc.Material(name='UO2', material_id=1)
-        uo2.set_density('macro', 1.0)
-        uo2.add_macroscopic(uo2_data)
-
-        clad_data = openmc.Macroscopic('clad_iso')
-        clad = openmc.Material(name='Clad', material_id=2)
-        clad.set_density('macro', 1.0)
-        clad.add_macroscopic(clad_data)
-
-        water_data = openmc.Macroscopic('lwtr_iso')
-        water = openmc.Material(name='LWTR', material_id=3)
-        water.set_density('macro', 1.0)
-        water.add_macroscopic(water_data)
-
-        # Define the materials file.
-        self.materials += (uo2, clad, water)
-
-        # Define surfaces.
-
-        # Assembly/Problem Boundary
-        left   = openmc.XPlane(x0=0.0, surface_id=200,
-                               boundary_type='reflective')
-        right  = openmc.XPlane(x0=10.0, surface_id=201,
-                               boundary_type='reflective')
-        bottom = openmc.YPlane(y0=0.0, surface_id=300,
-                               boundary_type='reflective')
-        top    = openmc.YPlane(y0=10.0, surface_id=301,
-                               boundary_type='reflective')
-
-        down   = openmc.ZPlane(z0=0.0, surface_id=0,
-                               boundary_type='reflective')
-        fuel_clad_intfc = openmc.ZPlane(z0=2.0, surface_id=1)
-        clad_lwtr_intfc = openmc.ZPlane(z0=2.4, surface_id=2)
-        up     = openmc.ZPlane(z0=5.0, surface_id=3,
-                               boundary_type='reflective')
-
-        # Define cells
-        c1 = openmc.Cell(cell_id=1)
-        c1.region = +left & -right & +bottom & -top & +down & -fuel_clad_intfc
-        c1.fill = uo2
-        c2 = openmc.Cell(cell_id=2)
-        c2.region = +left & -right & +bottom & -top & +fuel_clad_intfc & -clad_lwtr_intfc
-        c2.fill = clad
-        c3 = openmc.Cell(cell_id=3)
-        c3.region = +left & -right & +bottom & -top & +clad_lwtr_intfc & -up
-        c3.fill = water
-
-        # Define root universe.
-        root = openmc.Universe(universe_id=0, name='root universe')
-
-        root.add_cells((c1,c2,c3))
-
-        # Define the geometry file.
-        geometry = openmc.Geometry()
-        geometry.root_universe = root
-
-        self.geometry = geometry
 
 class MGMaxOrderTestHarness(PyAPITestHarness):
     def __init__(self, statepoint_name, tallies_present, mg=False):
         PyAPITestHarness.__init__(self, statepoint_name, tallies_present)
-        self._input_set = MGNuclideInputSet()
+        self._input_set = MGInputSet()
 
     def _build_inputs(self):
+        """Write input XML files."""
+        reps = ['iso']
+        self._input_set.build_default_materials_and_geometry(reps=reps)
+        self._input_set.build_default_settings()
         # Set P1 scattering
         self._input_set.settings.max_order = 1
-        # Call standard input build
-        super(MGMaxOrderTestHarness, self)._build_inputs()
+        self._input_set.export()
+
 
 if __name__ == '__main__':
     harness = MGMaxOrderTestHarness('statepoint.10.*', False, mg=True)
diff --git a/tests/test_mg_nuclide/inputs_true.dat b/tests/test_mg_nuclide/inputs_true.dat
index 93de08656d..5950ad3e49 100644
--- a/tests/test_mg_nuclide/inputs_true.dat
+++ b/tests/test_mg_nuclide/inputs_true.dat
@@ -1 +1 @@
-10b64fa97cc4feb1b1b8ba401b25b68ab682aba55ad4303a76a9a293ae79cdfff2f65d74310eb917da0aac243c24713d91eafae7ec5f0c4ae535d49fc928a869
\ No newline at end of file
+130e51d00cd4c00be14b4e722c285ef5725f7f7a25361f48524dc51bb70c0869149adb839199915fe6193273cb957414c073be2a9fda3ed03754967571b73f68
\ No newline at end of file
diff --git a/tests/test_mg_nuclide/results_true.dat b/tests/test_mg_nuclide/results_true.dat
index 7cdda73b5d..a367c60266 100644
--- a/tests/test_mg_nuclide/results_true.dat
+++ b/tests/test_mg_nuclide/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.047136E+00 2.765964E-02
+1.034509E+00 4.099331E-02
diff --git a/tests/test_mg_nuclide/test_mg_nuclide.py b/tests/test_mg_nuclide/test_mg_nuclide.py
index 89694eea25..b94af258f2 100644
--- a/tests/test_mg_nuclide/test_mg_nuclide.py
+++ b/tests/test_mg_nuclide/test_mg_nuclide.py
@@ -2,81 +2,22 @@
 
 import os
 import sys
+
 sys.path.insert(0, os.pardir)
-from testing_harness import TestHarness, PyAPITestHarness
+from testing_harness import PyAPITestHarness
 from input_set import MGInputSet
-import openmc
 
-class MGNuclideInputSet(MGInputSet):
-    def build_default_materials_and_geometry(self):
-        # Define materials needed for 1D/1G slab problem
-        # This time do using nuclide, not macroscopic
-        uo2 = openmc.Material(name='UO2', material_id=1)
-        uo2.set_density('sum', 1.0)
-        uo2.add_nuclide("uo2_iso", 1.0)
-
-        clad = openmc.Material(name='Clad', material_id=2)
-        clad.set_density('sum', 1.0)
-        clad.add_nuclide("clad_ang_mu", 1.0)
-
-        # water_data = openmc.Nuclide('lwtr_iso_mu', '71c')
-        water = openmc.Material(name='LWTR', material_id=3)
-        water.set_density('sum', 1.0)
-        water.add_nuclide("lwtr_iso_mu", 1.0)
-
-        # Define the materials file.
-        self.materials.default_xs = '71c'
-        self.materials += (uo2, clad, water)
-
-        # Define surfaces.
-
-        # Assembly/Problem Boundary
-        left   = openmc.XPlane(x0=0.0, surface_id=200,
-                               boundary_type='reflective')
-        right  = openmc.XPlane(x0=10.0, surface_id=201,
-                               boundary_type='reflective')
-        bottom = openmc.YPlane(y0=0.0, surface_id=300,
-                               boundary_type='reflective')
-        top    = openmc.YPlane(y0=10.0, surface_id=301,
-                               boundary_type='reflective')
-
-        down   = openmc.ZPlane(z0=0.0, surface_id=0,
-                               boundary_type='reflective')
-        fuel_clad_intfc = openmc.ZPlane(z0=2.0, surface_id=1)
-        clad_lwtr_intfc = openmc.ZPlane(z0=2.4, surface_id=2)
-        up     = openmc.ZPlane(z0=5.0, surface_id=3,
-                               boundary_type='reflective')
-
-        # Define cells
-        c1 = openmc.Cell(cell_id=1)
-        c1.region = +left & -right & +bottom & -top & +down & -fuel_clad_intfc
-        c1.fill = uo2
-        c2 = openmc.Cell(cell_id=2)
-        c2.region = +left & -right & +bottom & -top & +fuel_clad_intfc & -clad_lwtr_intfc
-        c2.fill = clad
-        c3 = openmc.Cell(cell_id=3)
-        c3.region = +left & -right & +bottom & -top & +clad_lwtr_intfc & -up
-        c3.fill = water
-
-        # Define root universe.
-        root = openmc.Universe(universe_id=0, name='root universe')
-
-        root.add_cells((c1,c2,c3))
-
-        # Define the geometry file.
-        geometry = openmc.Geometry()
-        geometry.root_universe = root
-
-        self.geometry = geometry
 
 class MGNuclideTestHarness(PyAPITestHarness):
     def __init__(self, statepoint_name, tallies_present, mg=False):
         PyAPITestHarness.__init__(self, statepoint_name, tallies_present)
-        self._input_set = MGNuclideInputSet()
+        self._input_set = MGInputSet()
 
     def _build_inputs(self):
-        super(MGNuclideTestHarness, self)._build_inputs()
-
+        """Write input XML files."""
+        self._input_set.build_default_materials_and_geometry(as_macro=False)
+        self._input_set.build_default_settings()
+        self._input_set.export()
 
 
 if __name__ == '__main__':
diff --git a/tests/test_mg_tallies/inputs_true.dat b/tests/test_mg_tallies/inputs_true.dat
index ca92dcb099..6e1b5dd621 100644
--- a/tests/test_mg_tallies/inputs_true.dat
+++ b/tests/test_mg_tallies/inputs_true.dat
@@ -1 +1 @@
-615fe0688980afc02bc11f41ac065b9479d2f6618acf6d20fcb91cd78209aed1d8fbaf73b06f153368a16aa90249d6d3ce06f840d9071a40b2118d36178fd84f
\ No newline at end of file
+051fcc001b79dc016d74e339348e75d1dab0338f3246643fb0032a928dd3660574543e23a6f428ee3b1b174e7e5a9aa64b27a795fa42c80068d13e98cf42a294
\ No newline at end of file
diff --git a/tests/test_mg_tallies/results_true.dat b/tests/test_mg_tallies/results_true.dat
index cb0498e511..09a041c7d1 100644
--- a/tests/test_mg_tallies/results_true.dat
+++ b/tests/test_mg_tallies/results_true.dat
@@ -1,2906 +1,712 @@
 k-combined:
-1.047136E+00 2.765964E-02
+1.034509E+00 4.099331E-02
 tally 1:
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+1.837719E-02
+2.949783E+01
+1.755681E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+tally 5:
+1.140031E+01
+2.654804E+01
+9.714892E-01
+1.928147E-01
+2.775330E+01
+1.573327E+02
+5.611798E-01
+6.433919E-02
+1.390960E+00
+3.952699E-01
+1.042894E+01
+2.221679E+01
+1.141545E+01
+2.652638E+01
+9.688838E-01
+1.912040E-01
+2.781363E+01
+1.574484E+02
+5.594851E-01
+6.375914E-02
+1.386962E+00
+3.918154E-01
+1.129668E-01
+2.597945E-03
+1.104472E+01
+2.480364E+01
+9.339121E-01
+1.773447E-01
+2.692364E+01
+1.473920E+02
+5.389851E-01
+5.906905E-02
+1.336259E+00
+3.630677E-01
+1.011089E+01
+2.078670E+01
+1.117137E+01
+2.545891E+01
+9.446221E-01
+1.820299E-01
+2.723240E+01
+1.512859E+02
+5.451662E-01
+6.062956E-02
+1.351583E+00
+3.726594E-01
+1.105108E-01
+2.491359E-03
+8.516856E+00
+1.480571E+01
+4.746789E-02
+4.599371E-04
+2.769452E+01
+1.565558E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+8.469171E+00
+1.464039E+01
+8.669841E+00
+1.526679E+01
+4.817729E-02
+4.716776E-04
+2.820058E+01
+1.615173E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.126905E-01
+2.579568E-03
+8.322112E+00
+1.408773E+01
+4.610369E-02
+4.323598E-04
+2.707537E+01
+1.491155E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+8.275818E+00
+1.393144E+01
+8.001626E+00
+1.291919E+01
+4.432823E-02
+3.964967E-04
+2.603269E+01
+1.367468E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.037888E-01
+2.173599E-03
+2.420071E+01
+1.187334E+02
+2.553808E-01
+1.322410E-02
+2.499803E+01
+1.266325E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.394540E+01
+1.162412E+02
+2.599102E+01
+1.379786E+02
+2.747004E-01
+1.541805E-02
+2.675330E+01
+1.460654E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.544592E-02
+4.872035E-05
+2.723238E+01
+1.502761E+02
+2.875125E-01
+1.675068E-02
+2.810218E+01
+1.600291E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.694487E+01
+1.471198E+02
+2.839730E+01
+1.630916E+02
+2.998114E-01
+1.817916E-02
+2.930431E+01
+1.736763E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.688140E-02
+5.763608E-05
+tally 6:
+1.027524E+01
+2.176770E+01
+1.027808E+01
+2.177975E+01
+1.301487E+00
+3.559715E-01
+1.061525E+01
+2.304844E+01
+1.061818E+01
+2.306116E+01
+1.463919E+00
+4.452955E-01
+1.021442E+01
+2.118539E+01
+1.021724E+01
+2.119710E+01
+1.333478E+00
+3.684793E-01
+1.003467E+01
+2.079465E+01
+1.003744E+01
+2.080615E+01
+1.146804E+00
+2.835726E-01
+8.301883E+00
+1.399250E+01
+8.302183E+00
+1.399351E+01
+0.000000E+00
+0.000000E+00
+8.110389E+00
+1.372142E+01
+8.110683E+00
+1.372241E+01
+0.000000E+00
+0.000000E+00
+8.072002E+00
+1.358172E+01
+8.072302E+00
+1.358273E+01
+0.000000E+00
+0.000000E+00
+8.422325E+00
+1.429746E+01
+8.422638E+00
+1.429853E+01
+0.000000E+00
+0.000000E+00
+2.385318E+01
+1.146286E+02
+2.385318E+01
+1.146286E+02
+0.000000E+00
+0.000000E+00
+2.629265E+01
+1.401748E+02
+2.629265E+01
+1.401748E+02
+0.000000E+00
+0.000000E+00
+2.779932E+01
+1.561607E+02
+2.779932E+01
+1.561607E+02
+0.000000E+00
+0.000000E+00
+2.828408E+01
+1.615023E+02
+2.828408E+01
+1.615023E+02
+0.000000E+00
+0.000000E+00
diff --git a/tests/test_mg_tallies/test_mg_tallies.py b/tests/test_mg_tallies/test_mg_tallies.py
index c9c5e95be2..4e57120bd8 100644
--- a/tests/test_mg_tallies/test_mg_tallies.py
+++ b/tests/test_mg_tallies/test_mg_tallies.py
@@ -9,32 +9,66 @@ import openmc
 
 class MGTalliesTestHarness(PyAPITestHarness):
     def _build_inputs(self):
+        """Write input XML files."""
+        self._input_set.build_default_materials_and_geometry(as_macro=True)
+        self._input_set.build_default_settings()
+
         # Instantiate a tally mesh
         mesh = openmc.Mesh(mesh_id=1)
         mesh.type = 'regular'
-        mesh.dimension = [17, 17, 1]
+        mesh.dimension = [1, 1, 10]
         mesh.lower_left = [0.0, 0.0, 0.0]
-        mesh.upper_right = [21.42, 21.42, 100.0]
+        mesh.upper_right = [10, 10, 5]
 
         # Instantiate some tally filters
         energy_filter = openmc.EnergyFilter([0.0, 20.0])
         energyout_filter = openmc.EnergyoutFilter([0.0, 20.0])
         mesh_filter = openmc.MeshFilter(mesh)
 
-        mat_filter = openmc.MaterialFilter([1,2,3])
+        mat_ids = [mat.id for mat in self._input_set.materials]
+        mat_filter = openmc.MaterialFilter(mat_ids)
 
-        tally1 = openmc.Tally(tally_id=1)
-        tally1.filters = [mesh_filter]
-        tally1.scores = ['total', 'absorption', 'flux',
-                         'fission', 'nu-fission']
+        tallies = []
 
-        tally2 = openmc.Tally(tally_id=2)
-        tally2.filters = [mat_filter, energy_filter, energyout_filter]
-        tally2.scores = ['scatter', 'nu-scatter']
+        tallies.append(openmc.Tally())
+        tallies[-1].filters = [mesh_filter]
+        tallies[-1].estimator = 'analog'
+        tallies[-1].scores = ['total', 'absorption', 'flux',
+                              'fission', 'nu-fission']
 
-        self._input_set.tallies = openmc.Tallies([tally1, tally2])
+        tallies.append(openmc.Tally())
+        tallies[-1].filters = [mesh_filter]
+        tallies[-1].estimator = 'tracklength'
+        tallies[-1].scores = ['total', 'absorption', 'flux',
+                              'fission', 'nu-fission']
 
-        super(MGTalliesTestHarness, self)._build_inputs()
+        tallies.append(openmc.Tally())
+        tallies[-1].filters = [mat_filter, energy_filter]
+        tallies[-1].estimator = 'analog'
+        tallies[-1].scores = ['total', 'absorption', 'flux',
+                              'fission', 'nu-fission', 'scatter',
+                              'nu-scatter']
+
+        tallies.append(openmc.Tally())
+        tallies[-1].filters = [mat_filter, energy_filter]
+        tallies[-1].estimator = 'collision'
+        tallies[-1].scores = ['total', 'absorption', 'flux',
+                              'fission', 'nu-fission']
+
+        tallies.append(openmc.Tally())
+        tallies[-1].filters = [mat_filter, energy_filter]
+        tallies[-1].estimator = 'tracklength'
+        tallies[-1].scores = ['total', 'absorption', 'flux',
+                              'fission', 'nu-fission', 'scatter']
+
+        tallies.append(openmc.Tally())
+        tallies[-1].filters = [mat_filter, energy_filter,
+                               energyout_filter]
+        tallies[-1].scores = ['scatter', 'nu-scatter', 'nu-fission']
+
+        self._input_set.tallies = openmc.Tallies(tallies)
+
+        self._input_set.export()
 
     def _cleanup(self):
         super(MGTalliesTestHarness, self)._cleanup()

From ea0e706b7081709fbeb51d80119e7459c165795b Mon Sep 17 00:00:00 2001
From: Adam Nelson <nelsonag@umich.edu>
Date: Sat, 15 Oct 2016 16:15:17 -0400
Subject: [PATCH 03/10] Ok, fixed the extra whitespace (havent gotten my
 sublime settings all set since I got the new computer, and, as a bonus, I
 added nuclidic tallies to the test_mg_tallies test, including a few bugfixes
 along the way

---
 src/input_xml.F90                        |   2 +-
 src/mgxs_header.F90                      |  16 +-
 src/output.F90                           |   9 +-
 src/state_point.F90                      |  17 +-
 src/tally.F90                            |  27 +-
 tests/input_set.py                       |   2 +-
 tests/test_mg_tallies/inputs_true.dat    |   2 +-
 tests/test_mg_tallies/results_true.dat   | 713 +----------------------
 tests/test_mg_tallies/test_mg_tallies.py |  80 +--
 9 files changed, 98 insertions(+), 770 deletions(-)

diff --git a/src/input_xml.F90 b/src/input_xml.F90
index 2719aa68fe..e8b950d917 100644
--- a/src/input_xml.F90
+++ b/src/input_xml.F90
@@ -3301,7 +3301,7 @@ contains
             ! Search through nuclides
             pair_list => nuclide_dict % keys()
             do while (associated(pair_list))
-              if (starts_with(pair_list % key, word)) then
+              if (trim(pair_list % key) == trim(word)) then
                 word = pair_list % key(1:150)
                 exit
               end if
diff --git a/src/mgxs_header.F90 b/src/mgxs_header.F90
index e223238589..feb4d46a89 100644
--- a/src/mgxs_header.F90
+++ b/src/mgxs_header.F90
@@ -437,9 +437,9 @@ module mgxs_header
           ! Get temperature as a string
           temp_str = trim(to_str(temps_to_read % data(t))) // "K"
           xsdata_grp = open_group(xs_id, trim(temp_str))
+          allocate(xs % nu_fission(groups))
+          allocate(xs % chi(groups, groups))
           if (this % fissionable) then
-            allocate(xs % nu_fission(groups))
-            allocate(xs % chi(groups, groups))
             if (object_exists(xsdata_grp, "chi")) then
               ! Chi was provided, that means we need chi and nu-fission vectors
               ! Get chi
@@ -505,6 +505,9 @@ module mgxs_header
                                  &kappa-fission tallies in tallies.xml file!")
               end if
             end if
+          else
+            xs % nu_fission = ZERO
+            xs % chi = ZERO
           end if
 
           if (object_exists(xsdata_grp, "absorption")) then
@@ -735,9 +738,9 @@ module mgxs_header
           ! Get temperature as a string
           temp_str = trim(to_str(temps_to_read % data(t))) // "K"
           xsdata_grp = open_group(xs_id, trim(temp_str))
+          allocate(xs % nu_fission(groups, this % n_azi, this % n_pol))
+          allocate(xs % chi(groups, groups, this % n_azi, this % n_pol))
           if (this % fissionable) then
-            allocate(xs % nu_fission(groups, this % n_azi, this % n_pol))
-            allocate(xs % chi(groups, groups, this % n_azi, this % n_pol))
             if (object_exists(xsdata_grp, "chi")) then
               ! Chi was provided, that means we need chi and nu-fission vectors
               ! Get chi
@@ -848,6 +851,9 @@ module mgxs_header
                                  &kappa-fission tallies in tallies.xml file!")
               end if
             end if
+          else
+            xs % nu_fission = ZERO
+            xs % chi = ZERO
           end if
 
           if (object_exists(xsdata_grp, "absorption")) then
@@ -1865,7 +1871,7 @@ module mgxs_header
 
       integer :: iazi, ipol, t
 
-      t = this % index_temp 
+      t = this % index_temp
 
       if (present(uvw)) then
         call find_angle(this % polar, this % azimuthal, uvw, iazi, ipol)
diff --git a/src/output.F90 b/src/output.F90
index 03496decbc..8127725a68 100644
--- a/src/output.F90
+++ b/src/output.F90
@@ -856,8 +856,13 @@ contains
             write(UNIT=unit_tally, FMT='(1X,2A,1X,A)') repeat(" ", indent), &
                  "Total Material"
           else
-            write(UNIT=unit_tally, FMT='(1X,2A,1X,A)') repeat(" ", indent), &
-                 trim(nuclides(i_nuclide) % name)
+            if (run_CE) then
+              write(UNIT=unit_tally, FMT='(1X,2A,1X,A)') repeat(" ", indent), &
+                   trim(nuclides(i_nuclide) % name)
+            else
+              write(UNIT=unit_tally, FMT='(1X,2A,1X,A)') repeat(" ", indent), &
+                   trim(nuclides_MG(i_nuclide) % obj % name)
+            end if
           end if
 
           indent = indent + 2
diff --git a/src/state_point.F90 b/src/state_point.F90
index 39532652f1..6b7a467d4f 100644
--- a/src/state_point.F90
+++ b/src/state_point.F90
@@ -251,11 +251,20 @@ contains
           allocate(str_array(tally % n_nuclide_bins))
           NUCLIDE_LOOP: do j = 1, tally % n_nuclide_bins
             if (tally % nuclide_bins(j) > 0) then
-              i_xs = index(nuclides(tally % nuclide_bins(j)) % name, '.')
-              if (i_xs > 0) then
-                str_array(j) = nuclides(tally % nuclide_bins(j)) % name(1 : i_xs-1)
+              if (run_CE) then
+                i_xs = index(nuclides(tally % nuclide_bins(j)) % name, '.')
+                if (i_xs > 0) then
+                  str_array(j) = nuclides(tally % nuclide_bins(j)) % name(1 : i_xs-1)
+                else
+                  str_array(j) = nuclides(tally % nuclide_bins(j)) % name
+                end if
               else
-                str_array(j) = nuclides(tally % nuclide_bins(j)) % name
+                i_xs = index(nuclides_MG(tally % nuclide_bins(j)) % obj % name, '.')
+                if (i_xs > 0) then
+                  str_array(j) = nuclides_MG(tally % nuclide_bins(j)) % obj % name(1 : i_xs-1)
+                else
+                  str_array(j) = nuclides_MG(tally % nuclide_bins(j)) % obj % name
+                end if
               end if
             else
               str_array(j) = 'total'
diff --git a/src/tally.F90 b/src/tally.F90
index b12bc0a970..e1c5769d1d 100644
--- a/src/tally.F90
+++ b/src/tally.F90
@@ -1865,17 +1865,24 @@ contains
 
           i_nuclide = t % nuclide_bins(k)
 
-          ! Check to see if this nuclide was in the material of our collision.
-          do m = 1, mat % n_nuclides
-            if (mat % nuclide(m) == i_nuclide) then
-              atom_density = mat % atom_density(m)
-              exit
-            end if
-          end do
+          if (i_nuclide > 0) then
+            atom_density = -ONE
+            ! Check to see if this nuclide was in the material of our collision.          
+            do m = 1, mat % n_nuclides
+              if (mat % nuclide(m) == i_nuclide) then
+                atom_density = mat % atom_density(m)
+                exit
+              end if
+            end do
+          else
+            atom_density = ZERO
+          end if
 
-          ! Determine score for each bin
-          call score_general(p, t, (k-1)*t % n_score_bins, filter_index, &
-               i_nuclide, atom_density, filter_weight)
+          ! If we found the nuclide, determine the score for each bin
+          if (atom_density >= ZERO) then
+            call score_general(p, t, (k-1)*t % n_score_bins, filter_index, &
+                 i_nuclide, atom_density, filter_weight)
+          end if
 
         end do NUCLIDE_LOOP
 
diff --git a/tests/input_set.py b/tests/input_set.py
index c62fc5914b..e349272144 100644
--- a/tests/input_set.py
+++ b/tests/input_set.py
@@ -753,7 +753,7 @@ class MGInputSet(InputSet):
                     mats[-1].set_density('atom/b-cm', 1.)
                     mats[-1].add_nuclide(xs[-1].name, 1.0, 'ao')
 
-        # Define the materials file.
+        # Define the materials file
         self.xs_data = xs
         self.materials += mats
 
diff --git a/tests/test_mg_tallies/inputs_true.dat b/tests/test_mg_tallies/inputs_true.dat
index 6e1b5dd621..4b1863929d 100644
--- a/tests/test_mg_tallies/inputs_true.dat
+++ b/tests/test_mg_tallies/inputs_true.dat
@@ -1 +1 @@
-051fcc001b79dc016d74e339348e75d1dab0338f3246643fb0032a928dd3660574543e23a6f428ee3b1b174e7e5a9aa64b27a795fa42c80068d13e98cf42a294
\ No newline at end of file
+255e71d921bb67f7f4832d1b217f4d19ea3c6bd96f551f1676e3735bd314986cc5f2be064e98c8f938a3f93c28b94487567d28829b4c0d66f8d2f8f5a776f302
\ No newline at end of file
diff --git a/tests/test_mg_tallies/results_true.dat b/tests/test_mg_tallies/results_true.dat
index 09a041c7d1..67e6cf4056 100644
--- a/tests/test_mg_tallies/results_true.dat
+++ b/tests/test_mg_tallies/results_true.dat
@@ -1,712 +1 @@
-k-combined:
-1.034509E+00 4.099331E-02
-tally 1:
-1.353282E+01
-3.743930E+01
-1.143045E+00
-2.712580E-01
-3.307076E+01
-2.236038E+02
-6.526994E-01
-8.855821E-02
-1.648619E+00
-5.666321E-01
-1.383226E+01
-3.869052E+01
-1.052120E+00
-2.328236E-01
-3.370167E+01
-2.297761E+02
-6.050050E-01
-7.697403E-02
-1.750404E+00
-6.331758E-01
-1.318250E+01
-3.553429E+01
-1.062624E+00
-2.357887E-01
-3.213491E+01
-2.111574E+02
-6.132682E-01
-7.853526E-02
-1.383452E+00
-4.189022E-01
-1.092857E+01
-2.455197E+01
-4.110603E-01
-3.568350E-02
-3.208428E+01
-2.114259E+02
-2.256563E-01
-1.081356E-02
-4.632141E-01
-4.677570E-02
-9.784679E+00
-1.972964E+01
-4.012515E-02
-6.039914E-04
-3.181098E+01
-2.085498E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-9.927108E+00
-2.035984E+01
-1.000276E-02
-1.000553E-04
-3.229710E+01
-2.155043E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.610209E+01
-5.213849E+01
-1.305253E-01
-4.741512E-03
-3.129504E+01
-1.971406E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-3.036344E+01
-1.862702E+02
-4.715504E-01
-4.701859E-02
-3.127921E+01
-1.975072E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-3.325556E+01
-2.242288E+02
-3.406537E-01
-3.172189E-02
-3.424625E+01
-2.377838E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-3.437896E+01
-2.376465E+02
-3.508672E-01
-2.662723E-02
-3.547702E+01
-2.530698E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-tally 2:
-1.368605E+01
-3.822585E+01
-1.165647E+00
-2.774076E-01
-3.332128E+01
-2.265711E+02
-6.732988E-01
-9.255825E-02
-1.668893E+00
-5.686505E-01
-1.351185E+01
-3.714397E+01
-1.145268E+00
-2.669523E-01
-3.292797E+01
-2.205691E+02
-6.612158E-01
-8.898397E-02
-1.639208E+00
-5.468718E-01
-1.338220E+01
-3.637873E+01
-1.131564E+00
-2.601061E-01
-3.262172E+01
-2.161754E+02
-6.530550E-01
-8.663476E-02
-1.619062E+00
-5.325002E-01
-1.124444E+01
-2.583638E+01
-4.143035E-01
-3.514380E-02
-3.293951E+01
-2.216808E+02
-2.172466E-01
-9.667606E-03
-5.386005E-01
-5.942191E-02
-1.039401E+01
-2.195361E+01
-5.776981E-02
-6.785830E-04
-3.380760E+01
-2.322412E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-9.968429E+00
-2.018883E+01
-5.522413E-02
-6.196056E-04
-3.243154E+01
-2.136942E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.599575E+01
-5.164848E+01
-1.369508E-01
-3.787900E-03
-3.062851E+01
-1.892971E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.984125E+01
-1.813760E+02
-3.150772E-01
-2.022590E-02
-3.078896E+01
-1.929299E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-3.239082E+01
-2.130115E+02
-3.421610E-01
-2.377195E-02
-3.338365E+01
-2.262151E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-3.394890E+01
-2.331951E+02
-3.584238E-01
-2.599332E-02
-3.503323E+01
-2.483295E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-tally 3:
-1.127805E+01
-2.608571E+01
-1.002813E+00
-2.123979E-01
-2.754396E+01
-1.556374E+02
-5.744190E-01
-6.983035E-02
-1.301487E+00
-3.559715E-01
-1.027524E+01
-2.176770E+01
-1.027808E+01
-2.177975E+01
-1.147696E+01
-2.681957E+01
-8.617077E-01
-1.528009E-01
-2.799053E+01
-1.596017E+02
-4.924622E-01
-4.996879E-02
-1.463919E+00
-4.452955E-01
-1.061525E+01
-2.304844E+01
-1.061818E+01
-2.306116E+01
-1.112664E+01
-2.517898E+01
-9.122203E-01
-1.733772E-01
-2.712336E+01
-1.496225E+02
-5.264663E-01
-5.774755E-02
-1.333478E+00
-3.684793E-01
-1.021442E+01
-2.118539E+01
-1.021724E+01
-2.119710E+01
-1.090672E+01
-2.450876E+01
-8.720475E-01
-1.544308E-01
-2.658725E+01
-1.456398E+02
-5.032815E-01
-5.143697E-02
-1.146804E+00
-2.835726E-01
-1.003467E+01
-2.079465E+01
-1.003744E+01
-2.080615E+01
-8.331989E+00
-1.409000E+01
-3.010595E-02
-5.041231E-04
-2.708797E+01
-1.489409E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.301883E+00
-1.399250E+01
-8.302183E+00
-1.399351E+01
-8.140468E+00
-1.380373E+01
-3.007957E-02
-5.030779E-04
-2.646953E+01
-1.459652E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.110389E+00
-1.372142E+01
-8.110683E+00
-1.372241E+01
-8.082005E+00
-1.362698E+01
-1.000276E-02
-1.000553E-04
-2.629420E+01
-1.442386E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.072002E+00
-1.358172E+01
-8.072302E+00
-1.358273E+01
-8.452493E+00
-1.439819E+01
-3.016800E-02
-3.033748E-04
-2.749955E+01
-1.524016E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.422325E+00
-1.429746E+01
-8.422638E+00
-1.429853E+01
-2.414436E+01
-1.174474E+02
-2.911770E-01
-2.007223E-02
-2.492486E+01
-1.250988E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.385318E+01
-1.146286E+02
-2.385318E+01
-1.146286E+02
-2.670358E+01
-1.446298E+02
-4.109267E-01
-3.665787E-02
-2.742207E+01
-1.524808E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.629265E+01
-1.401748E+02
-2.629265E+01
-1.401748E+02
-2.805989E+01
-1.590823E+02
-2.605721E-01
-1.547273E-02
-2.895612E+01
-1.694067E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.779932E+01
-1.561607E+02
-2.779932E+01
-1.561607E+02
-2.858483E+01
-1.648682E+02
-3.007528E-01
-2.029929E-02
-2.949783E+01
-1.755681E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.828408E+01
-1.615023E+02
-2.828408E+01
-1.615023E+02
-tally 4:
-1.127805E+01
-2.608571E+01
-9.413263E-01
-1.814958E-01
-2.754396E+01
-1.556374E+02
-5.422850E-01
-6.023145E-02
-1.344903E+00
-3.704722E-01
-1.147696E+01
-2.681957E+01
-9.663242E-01
-1.895497E-01
-2.799053E+01
-1.596017E+02
-5.573458E-01
-6.303283E-02
-1.381910E+00
-3.875298E-01
-1.112664E+01
-2.517898E+01
-9.408395E-01
-1.800284E-01
-2.712336E+01
-1.496225E+02
-5.429832E-01
-5.996291E-02
-1.346171E+00
-3.685618E-01
-1.090672E+01
-2.450876E+01
-9.222434E-01
-1.752364E-01
-2.658725E+01
-1.456398E+02
-5.322509E-01
-5.836681E-02
-1.319563E+00
-3.587514E-01
-8.331989E+00
-1.409000E+01
-4.665612E-02
-4.414425E-04
-2.708797E+01
-1.489409E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.140468E+00
-1.380373E+01
-4.513252E-02
-4.265760E-04
-2.646953E+01
-1.459652E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.082005E+00
-1.362698E+01
-4.477352E-02
-4.182191E-04
-2.629420E+01
-1.442386E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.452493E+00
-1.439819E+01
-4.682599E-02
-4.418878E-04
-2.749955E+01
-1.524016E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.414436E+01
-1.174474E+02
-2.549248E-01
-1.309686E-02
-2.492486E+01
-1.250988E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.670358E+01
-1.446298E+02
-2.827393E-01
-1.621660E-02
-2.742207E+01
-1.524808E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.805989E+01
-1.590823E+02
-2.962491E-01
-1.773226E-02
-2.895612E+01
-1.694067E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.858483E+01
-1.648682E+02
-3.017914E-01
-1.837719E-02
-2.949783E+01
-1.755681E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-tally 5:
-1.140031E+01
-2.654804E+01
-9.714892E-01
-1.928147E-01
-2.775330E+01
-1.573327E+02
-5.611798E-01
-6.433919E-02
-1.390960E+00
-3.952699E-01
-1.042894E+01
-2.221679E+01
-1.141545E+01
-2.652638E+01
-9.688838E-01
-1.912040E-01
-2.781363E+01
-1.574484E+02
-5.594851E-01
-6.375914E-02
-1.386962E+00
-3.918154E-01
-1.129668E-01
-2.597945E-03
-1.104472E+01
-2.480364E+01
-9.339121E-01
-1.773447E-01
-2.692364E+01
-1.473920E+02
-5.389851E-01
-5.906905E-02
-1.336259E+00
-3.630677E-01
-1.011089E+01
-2.078670E+01
-1.117137E+01
-2.545891E+01
-9.446221E-01
-1.820299E-01
-2.723240E+01
-1.512859E+02
-5.451662E-01
-6.062956E-02
-1.351583E+00
-3.726594E-01
-1.105108E-01
-2.491359E-03
-8.516856E+00
-1.480571E+01
-4.746789E-02
-4.599371E-04
-2.769452E+01
-1.565558E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.469171E+00
-1.464039E+01
-8.669841E+00
-1.526679E+01
-4.817729E-02
-4.716776E-04
-2.820058E+01
-1.615173E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.126905E-01
-2.579568E-03
-8.322112E+00
-1.408773E+01
-4.610369E-02
-4.323598E-04
-2.707537E+01
-1.491155E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.275818E+00
-1.393144E+01
-8.001626E+00
-1.291919E+01
-4.432823E-02
-3.964967E-04
-2.603269E+01
-1.367468E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.037888E-01
-2.173599E-03
-2.420071E+01
-1.187334E+02
-2.553808E-01
-1.322410E-02
-2.499803E+01
-1.266325E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.394540E+01
-1.162412E+02
-2.599102E+01
-1.379786E+02
-2.747004E-01
-1.541805E-02
-2.675330E+01
-1.460654E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.544592E-02
-4.872035E-05
-2.723238E+01
-1.502761E+02
-2.875125E-01
-1.675068E-02
-2.810218E+01
-1.600291E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.694487E+01
-1.471198E+02
-2.839730E+01
-1.630916E+02
-2.998114E-01
-1.817916E-02
-2.930431E+01
-1.736763E+02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.688140E-02
-5.763608E-05
-tally 6:
-1.027524E+01
-2.176770E+01
-1.027808E+01
-2.177975E+01
-1.301487E+00
-3.559715E-01
-1.061525E+01
-2.304844E+01
-1.061818E+01
-2.306116E+01
-1.463919E+00
-4.452955E-01
-1.021442E+01
-2.118539E+01
-1.021724E+01
-2.119710E+01
-1.333478E+00
-3.684793E-01
-1.003467E+01
-2.079465E+01
-1.003744E+01
-2.080615E+01
-1.146804E+00
-2.835726E-01
-8.301883E+00
-1.399250E+01
-8.302183E+00
-1.399351E+01
-0.000000E+00
-0.000000E+00
-8.110389E+00
-1.372142E+01
-8.110683E+00
-1.372241E+01
-0.000000E+00
-0.000000E+00
-8.072002E+00
-1.358172E+01
-8.072302E+00
-1.358273E+01
-0.000000E+00
-0.000000E+00
-8.422325E+00
-1.429746E+01
-8.422638E+00
-1.429853E+01
-0.000000E+00
-0.000000E+00
-2.385318E+01
-1.146286E+02
-2.385318E+01
-1.146286E+02
-0.000000E+00
-0.000000E+00
-2.629265E+01
-1.401748E+02
-2.629265E+01
-1.401748E+02
-0.000000E+00
-0.000000E+00
-2.779932E+01
-1.561607E+02
-2.779932E+01
-1.561607E+02
-0.000000E+00
-0.000000E+00
-2.828408E+01
-1.615023E+02
-2.828408E+01
-1.615023E+02
-0.000000E+00
-0.000000E+00
+a78b7997b258f01764aebf601ae7107d7286d79269c1adcaa3c5b58d4f78f7b330cda152f415ad7c9b0622c3dc2b60284bfca74febfd35369c2772a87b9c4d44
\ No newline at end of file
diff --git a/tests/test_mg_tallies/test_mg_tallies.py b/tests/test_mg_tallies/test_mg_tallies.py
index 4e57120bd8..b9bbcb5542 100644
--- a/tests/test_mg_tallies/test_mg_tallies.py
+++ b/tests/test_mg_tallies/test_mg_tallies.py
@@ -3,14 +3,14 @@
 import os
 import sys
 sys.path.insert(0, os.pardir)
-from testing_harness import TestHarness, PyAPITestHarness
+from testing_harness import HashedPyAPITestHarness
 import openmc
 
 
-class MGTalliesTestHarness(PyAPITestHarness):
+class MGTalliesTestHarness(HashedPyAPITestHarness):
     def _build_inputs(self):
         """Write input XML files."""
-        self._input_set.build_default_materials_and_geometry(as_macro=True)
+        self._input_set.build_default_materials_and_geometry(as_macro=False)
         self._input_set.build_default_settings()
 
         # Instantiate a tally mesh
@@ -28,43 +28,55 @@ class MGTalliesTestHarness(PyAPITestHarness):
         mat_ids = [mat.id for mat in self._input_set.materials]
         mat_filter = openmc.MaterialFilter(mat_ids)
 
+        nuclides = [xs.name for xs in self._input_set.xs_data]
+
+        scores= {False: ['total', 'absorption', 'flux', 'fission', 'nu-fission'],
+                 True: ['total', 'absorption', 'fission', 'nu-fission']}
+
         tallies = []
+        for do_nuclides in [False, True]:
+            tallies.append(openmc.Tally())
+            tallies[-1].filters = [mesh_filter]
+            tallies[-1].estimator = 'analog'
+            tallies[-1].scores = scores[do_nuclides]
+            if do_nuclides:
+                tallies[-1].nuclides = nuclides
 
-        tallies.append(openmc.Tally())
-        tallies[-1].filters = [mesh_filter]
-        tallies[-1].estimator = 'analog'
-        tallies[-1].scores = ['total', 'absorption', 'flux',
-                              'fission', 'nu-fission']
+            tallies.append(openmc.Tally())
+            tallies[-1].filters = [mesh_filter]
+            tallies[-1].estimator = 'tracklength'
+            tallies[-1].scores = scores[do_nuclides]
+            if do_nuclides:
+                tallies[-1].nuclides = nuclides
 
-        tallies.append(openmc.Tally())
-        tallies[-1].filters = [mesh_filter]
-        tallies[-1].estimator = 'tracklength'
-        tallies[-1].scores = ['total', 'absorption', 'flux',
-                              'fission', 'nu-fission']
+            tallies.append(openmc.Tally())
+            tallies[-1].filters = [mat_filter, energy_filter]
+            tallies[-1].estimator = 'analog'
+            tallies[-1].scores = scores[do_nuclides] + ['scatter',
+                                                        'nu-scatter']
+            if do_nuclides:
+                tallies[-1].nuclides = nuclides
 
-        tallies.append(openmc.Tally())
-        tallies[-1].filters = [mat_filter, energy_filter]
-        tallies[-1].estimator = 'analog'
-        tallies[-1].scores = ['total', 'absorption', 'flux',
-                              'fission', 'nu-fission', 'scatter',
-                              'nu-scatter']
+            tallies.append(openmc.Tally())
+            tallies[-1].filters = [mat_filter, energy_filter]
+            tallies[-1].estimator = 'collision'
+            tallies[-1].scores = scores[do_nuclides]
+            if do_nuclides:
+                tallies[-1].nuclides = nuclides
 
-        tallies.append(openmc.Tally())
-        tallies[-1].filters = [mat_filter, energy_filter]
-        tallies[-1].estimator = 'collision'
-        tallies[-1].scores = ['total', 'absorption', 'flux',
-                              'fission', 'nu-fission']
+            tallies.append(openmc.Tally())
+            tallies[-1].filters = [mat_filter, energy_filter]
+            tallies[-1].estimator = 'tracklength'
+            tallies[-1].scores = scores[do_nuclides]
+            if do_nuclides:
+                tallies[-1].nuclides = nuclides
 
-        tallies.append(openmc.Tally())
-        tallies[-1].filters = [mat_filter, energy_filter]
-        tallies[-1].estimator = 'tracklength'
-        tallies[-1].scores = ['total', 'absorption', 'flux',
-                              'fission', 'nu-fission', 'scatter']
-
-        tallies.append(openmc.Tally())
-        tallies[-1].filters = [mat_filter, energy_filter,
-                               energyout_filter]
-        tallies[-1].scores = ['scatter', 'nu-scatter', 'nu-fission']
+            tallies.append(openmc.Tally())
+            tallies[-1].filters = [mat_filter, energy_filter,
+                                   energyout_filter]
+            tallies[-1].scores = ['scatter', 'nu-scatter', 'nu-fission']
+            if do_nuclides:
+                tallies[-1].nuclides = nuclides
 
         self._input_set.tallies = openmc.Tallies(tallies)
 

From 6ae0b1b0e668d4c94e4605b3e29dbe8cfcd61c29 Mon Sep 17 00:00:00 2001
From: Adam Nelson <nelsonag@umich.edu>
Date: Sat, 15 Oct 2016 16:23:10 -0400
Subject: [PATCH 04/10] Grr

---
 src/tally.F90 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tally.F90 b/src/tally.F90
index e1c5769d1d..978f26d7ba 100644
--- a/src/tally.F90
+++ b/src/tally.F90
@@ -1867,7 +1867,7 @@ contains
 
           if (i_nuclide > 0) then
             atom_density = -ONE
-            ! Check to see if this nuclide was in the material of our collision.          
+            ! Check to see if this nuclide was in the material of our collision
             do m = 1, mat % n_nuclides
               if (mat % nuclide(m) == i_nuclide) then
                 atom_density = mat % atom_density(m)

From fa6a3686605464238be29e6c90318f81af924946 Mon Sep 17 00:00:00 2001
From: Adam Nelson <nelsonag@umich.edu>
Date: Sat, 15 Oct 2016 16:38:00 -0400
Subject: [PATCH 05/10] Updating example mgxs.h5 file

---
 examples/xml/pincell_multigroup/mgxs.h5 | Bin 16496 -> 61488 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)

diff --git a/examples/xml/pincell_multigroup/mgxs.h5 b/examples/xml/pincell_multigroup/mgxs.h5
index cbe338c1c7de692a9bed69901f1da186bc1d3348..fe93c44bfa6b3766155356e34bdcd31e9fdb6af0 100644
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zq|Fm-J&`w0q&yebry8d?ss_nKfIUy>Vs0L`GbD3W@Bg>J6%$&1e>xG5=Sb3&GAg-W
zs~GbH7fZ=~DJHH&09ikZ(kYTi5{n@7L_DiM#h7YP;Opm!uigLW#UZ#%#88veCxKXc
Nbp<LPk8q{J<NuWfcA)?O

delta 1245
zcmZWoT}V@57~c1}wsWS<>4lDM>DknI=KPzbtwru+L}doEA_XhXtU#1xlowV+y9q{M
z?C?T}L=Eaff`!L}6h*ecz)K|v=?A8gsaNZVvI1+z^UZCxn|;sAyZ3$G=Xo|3&q)MP
zn8g83th$XMprIg!jq0|JlgHsh?=f)Xd_h_;t9Kv{+7DJDM)Iq#<8rJrsFV+DQoa$v
zDu?o5obXj!D?CX+teOIrdWmXanX*AE-A{*TrDqgg(UoXWTA_<Ep3ViF*S|kjoIP)u
zV2bRa$R3`|NbTL6DT#UQ2n|Ax-m3k3Gv1+6g#>X()BVlEY}*BsdQ-uf^?MTkV%}TO
zcPB9P{f+l1tmtn@k^COyQo6dDrykN3ANeV-rYl!%?0@GyF|rh#U0m?~Ieqc<`uKvE
z|1@KJ|7*$nRuaeWBWY%W%@JY=;PW&vS){`~+eNVnL4-EaoBY9Qti)ln_(+4nXQCQ>
z<dC_t)WKSne2kIQ4MgH$r&8b$jL;>zxoQQj)xtB+6>yrZYWYe?><;5Oiy)SO&qAR!
za9K(r;-=6t%$rMf^<*f;Bs*LjK}M_cNNLCs%o9o}t%ERYIV8kb2uFL-)AUZCIk-_u
z{8z$kK2)0-g&JwY{FYi$9$k7Rc+_@0Tp@YNim)+A7!abW%jf(90~ana5a13AF$w}U
z1|qi7Lgu`Gz%MtYPT&Qx1I8+P@o+v^?1TVk5936otWCmB;kaFXF)b7hl?&n$7!Gt}
z#*n5PW>;}%297vJaiC6Wtt!HpbHY{4Svk_WjG*HO6PxKiC4?9}?UGjMWV^9W&UA}m
zXSU96f;$_PdP-;Cmj6=PYeD>xys8jxjUGV;Q0tkDXs1$_bf(?)Q;2bL?sVxL8^Xq$
zB-3J&(O@GqL~9TOd~^hQS)1Yz^EixIw=7FCGF9$9*>rh=gL|{-&NRyMg`<6N%|TKq
zTP<%-|72r3wNJ4%LMAA4R2jBDAIDSywB5~cjQ6G-^EDI4lDVFBmjd(oH+a~3oG8e4
JjV;W?p?}8JPhS84


From aaf9b401691e647c29c9c58a34046254a3e30e7c Mon Sep 17 00:00:00 2001
From: Adam Nelson <nelsonag@umich.edu>
Date: Sat, 15 Oct 2016 19:46:18 -0400
Subject: [PATCH 06/10] fixing the python2 test error

---
 tests/input_set.py                       | 7 ++++---
 tests/test_mg_basic/inputs_true.dat      | 2 +-
 tests/test_mg_basic/results_true.dat     | 2 +-
 tests/test_mg_max_order/inputs_true.dat  | 2 +-
 tests/test_mg_max_order/results_true.dat | 2 +-
 tests/test_mg_nuclide/inputs_true.dat    | 2 +-
 tests/test_mg_nuclide/results_true.dat   | 2 +-
 tests/test_mg_tallies/inputs_true.dat    | 2 +-
 tests/test_mg_tallies/results_true.dat   | 2 +-
 9 files changed, 12 insertions(+), 11 deletions(-)

diff --git a/tests/input_set.py b/tests/input_set.py
index e349272144..0d5a78bab9 100644
--- a/tests/input_set.py
+++ b/tests/input_set.py
@@ -1,8 +1,9 @@
+import numpy as np
+
 import openmc
 from openmc.source import Source
 from openmc.stats import Box
 
-import numpy as np
 
 class InputSet(object):
     def __init__(self):
@@ -765,9 +766,9 @@ class MGInputSet(InputSet):
         top = openmc.YPlane(y0=10.0, boundary_type='reflective')
         # for each material add a plane
         planes = [openmc.ZPlane(z0=0.0, boundary_type='reflective')]
-        dz = 5. / float(len(mats))
+        dz = round(5. / float(len(mats)), 4)
         for i in range(len(mats) - 1):
-            planes.append(openmc.ZPlane(z0=dz * (i + 1)))
+            planes.append(openmc.ZPlane(z0=dz * float(i + 1)))
         planes.append(openmc.ZPlane(z0=5.0, boundary_type='reflective'))
 
         # Define cells for each material
diff --git a/tests/test_mg_basic/inputs_true.dat b/tests/test_mg_basic/inputs_true.dat
index 31673c1335..08917ab7db 100644
--- a/tests/test_mg_basic/inputs_true.dat
+++ b/tests/test_mg_basic/inputs_true.dat
@@ -1 +1 @@
-c657f05432d9668f56e671a463ba08aed47103a33072d3f893146ff24fce6711ec41ba49c7d14a70b076cccb9a526375a4d8c1241e64e8167b8e0e876ae6655c
\ No newline at end of file
+115218221500e60ea43145875324a9a6800366fcc97357ef4cd8182f9253e114cbe1c7481dd3bdd8d7dce5983e2cb757ae0a2e05ede236d94cba7909703ba7f7
\ No newline at end of file
diff --git a/tests/test_mg_basic/results_true.dat b/tests/test_mg_basic/results_true.dat
index a367c60266..01b7925469 100644
--- a/tests/test_mg_basic/results_true.dat
+++ b/tests/test_mg_basic/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.034509E+00 4.099331E-02
+1.160653E+00 6.227102E-02
diff --git a/tests/test_mg_max_order/inputs_true.dat b/tests/test_mg_max_order/inputs_true.dat
index 375a7fe215..3056e8cbdf 100644
--- a/tests/test_mg_max_order/inputs_true.dat
+++ b/tests/test_mg_max_order/inputs_true.dat
@@ -1 +1 @@
-b4adeb6b98d1d6310484c6623dde61ccfb02e0b8b9422c60d94cb65e556f3e2744c94cb3661a94aa365964acb463a6bd93cddf2dd954bfc36e316335b4a058f3
\ No newline at end of file
+139d760cd83eab001ed3fd52d7146fb5f30b7021b26ada6a1e425f5446185ac6fa61ac2ac58aa9e895981e10540160b7ae7428c833024679ef1ca762715e2d51
\ No newline at end of file
diff --git a/tests/test_mg_max_order/results_true.dat b/tests/test_mg_max_order/results_true.dat
index 1fa95fb90a..0e470e2cdb 100644
--- a/tests/test_mg_max_order/results_true.dat
+++ b/tests/test_mg_max_order/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.099449E+00 1.956787E-02
+1.098323E+00 1.979833E-02
diff --git a/tests/test_mg_nuclide/inputs_true.dat b/tests/test_mg_nuclide/inputs_true.dat
index 5950ad3e49..57aa5d33f0 100644
--- a/tests/test_mg_nuclide/inputs_true.dat
+++ b/tests/test_mg_nuclide/inputs_true.dat
@@ -1 +1 @@
-130e51d00cd4c00be14b4e722c285ef5725f7f7a25361f48524dc51bb70c0869149adb839199915fe6193273cb957414c073be2a9fda3ed03754967571b73f68
\ No newline at end of file
+6d03b988671fe21dfe2a908685536edb3059e5bdda7974ddfa65c7f63cecb7f6b3fce49bc1533ef2787e284121779653cb14a66cfd709258e4b07d8bd7571843
\ No newline at end of file
diff --git a/tests/test_mg_nuclide/results_true.dat b/tests/test_mg_nuclide/results_true.dat
index a367c60266..01b7925469 100644
--- a/tests/test_mg_nuclide/results_true.dat
+++ b/tests/test_mg_nuclide/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.034509E+00 4.099331E-02
+1.160653E+00 6.227102E-02
diff --git a/tests/test_mg_tallies/inputs_true.dat b/tests/test_mg_tallies/inputs_true.dat
index 4b1863929d..6b0ff76b15 100644
--- a/tests/test_mg_tallies/inputs_true.dat
+++ b/tests/test_mg_tallies/inputs_true.dat
@@ -1 +1 @@
-255e71d921bb67f7f4832d1b217f4d19ea3c6bd96f551f1676e3735bd314986cc5f2be064e98c8f938a3f93c28b94487567d28829b4c0d66f8d2f8f5a776f302
\ No newline at end of file
+8c496e13f9456bedcc0789ffdca81913596cca3c7867717ced38c3063b6cdc8949bd204c98723b72c1b456e3fc85fc90e6710482b0c74e5e29283902a5d9ed50
\ No newline at end of file
diff --git a/tests/test_mg_tallies/results_true.dat b/tests/test_mg_tallies/results_true.dat
index 67e6cf4056..b540d9a492 100644
--- a/tests/test_mg_tallies/results_true.dat
+++ b/tests/test_mg_tallies/results_true.dat
@@ -1 +1 @@
-a78b7997b258f01764aebf601ae7107d7286d79269c1adcaa3c5b58d4f78f7b330cda152f415ad7c9b0622c3dc2b60284bfca74febfd35369c2772a87b9c4d44
\ No newline at end of file
+6ab4a178b642f886eea9fddbdf67a8d6d3e0d1968f06ee52d7fd5ecdc1b4a796398e9b3a8c15ac72fb1a011d13a5fcc59a868781d38fb11787e060bb2e602a7b
\ No newline at end of file

From e1962bd479dad3330cf261b2273d8a6ae123d6ee Mon Sep 17 00:00:00 2001
From: Qingming He <906459647@qq.com>
Date: Fri, 14 Oct 2016 22:52:06 -0400
Subject: [PATCH 07/10] add numpy include dirs

---
 setup.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)
 mode change 100644 => 100755 setup.py

diff --git a/setup.py b/setup.py
old mode 100644
new mode 100755
index 52ffaecf49..da98506d3b
--- a/setup.py
+++ b/setup.py
@@ -1,6 +1,7 @@
 #!/usr/bin/env python
 
 import glob
+import numpy as np
 try:
     from setuptools import setup
     have_setuptools = True
@@ -57,7 +58,8 @@ if have_setuptools:
 # If Cython is present, add resonance reconstruction capability
 if have_cython:
     kwargs.update({
-        'ext_modules': cythonize('openmc/data/reconstruct.pyx')
+        'ext_modules': cythonize('openmc/data/reconstruct.pyx'),
+        'include_dirs': [np.get_include()]
     })
 
 setup(**kwargs)

From 22df8cfe417d7cfe88361bd4cac75c315798f09e Mon Sep 17 00:00:00 2001
From: Adam Nelson <nelsonag@umich.edu>
Date: Tue, 18 Oct 2016 05:23:50 -0400
Subject: [PATCH 08/10] Incorporated @paulromano comments

---
 docs/source/io_formats/mgxs_library.rst | 2 +-
 openmc/mesh.py                          | 4 ++--
 openmc/mgxs/library.py                  | 2 +-
 openmc/mgxs_library.py                  | 9 +++------
 4 files changed, 7 insertions(+), 10 deletions(-)

diff --git a/docs/source/io_formats/mgxs_library.rst b/docs/source/io_formats/mgxs_library.rst
index 2a1e63d435..4e5ea21969 100644
--- a/docs/source/io_formats/mgxs_library.rst
+++ b/docs/source/io_formats/mgxs_library.rst
@@ -9,7 +9,7 @@ nuclear data is available.  In continuous-energy mode, the
 ``cross_sections.xml`` file contains necessary meta-data for each dataset,
 including the name and a file system location where the complete library
 can be found.  In multi-group mode, the multi-group meta-data and the
-nuclear data itself is contained within an ``mgxs.h5``.  This portion of
+nuclear data itself is contained within an ``mgxs.h5`` file.  This portion of
 the manual describes the format of the multi-group data library required
 to be used in the ``mgxs.h5`` file.
 
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 014cbc4679..21144469f1 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -286,8 +286,8 @@ class Mesh(object):
                    openmc.XPlane(x0=self.upper_right[0],
                                  boundary_type=bc[1])]
         if len(self.dimension) == 1:
-            yplanes = [openmc.YPlane(y0=1000., boundary_type='reflective'),
-                       openmc.YPlane(y0=1000., boundary_type='reflective')]
+            yplanes = [openmc.YPlane(y0=-1e10, boundary_type='reflective'),
+                       openmc.YPlane(y0=1e10, boundary_type='reflective')]
         else:
             yplanes = [openmc.YPlane(y0=self.lower_left[1],
                                      boundary_type=bc[2]),
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index c03aa78771..eb07e80976 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -1283,7 +1283,7 @@ class Library(object):
              ('nu-transport' not in self.mgxs_types))):
             error_flag = True
             warn('A "nu-transport" MGXS type is required since a "P0" '
-                 'correction is applied, but a "nu-transport" MGXS == '
+                 'correction is applied, but a "nu-transport" MGXS is '
                  'not provided.')
         elif (((self.correction is None) and
                ('total' not in self.mgxs_types))):
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 35dff1223a..b62c3ac83f 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -1135,19 +1135,16 @@ class XSdata(object):
         if self.fissionable is not None:
             grp.attrs['fissionable'] = self.fissionable
         if self.representation is not None:
-            grp.attrs['representation'] = np.array(self.representation,
-                                                   dtype='S')
+            grp.attrs['representation'] = np.string_(self.representation)
             if self.representation == 'angle':
                 if self.num_azimuthal is not None:
                     grp.attrs['num_azimuthal'] = self.num_azimuthal
                 if self.num_polar is not None:
                     grp.attrs['num_polar'] = self.num_polar
         if self.scatter_format is not None:
-            grp.attrs['scatter_format'] = np.array(self.scatter_format,
-                                                   dtype='S')
+            grp.attrs['scatter_format'] = np.string_(self.scatter_format)
         if self.scatter_shape is not None:
-            grp.attrs['scatter_shape'] = np.array(self.scatter_shape,
-                                                  dtype='S')
+            grp.attrs['scatter_shape'] = np.string_(self.scatter_shape)
         if self.order is not None:
             grp.attrs['order'] = self.order
 

From 6234ef5693fd2bca98eff2546f54d4225b931054 Mon Sep 17 00:00:00 2001
From: Sam Shaner <shaner@mit.edu>
Date: Tue, 18 Oct 2016 08:03:26 -0400
Subject: [PATCH 09/10] updated setup.py to version in develop

---
 setup.py | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/setup.py b/setup.py
index 9dceb1cbf7..da98506d3b 100755
--- a/setup.py
+++ b/setup.py
@@ -61,9 +61,5 @@ if have_cython:
         'ext_modules': cythonize('openmc/data/reconstruct.pyx'),
         'include_dirs': [np.get_include()]
     })
-    import numpy as np
-    kwargs.update({
-        'include_dirs': [np.get_include()]
-    })
 
 setup(**kwargs)

From f7c3f80504553bf5a0ce563d4fd3e5a74a1bc440 Mon Sep 17 00:00:00 2001
From: Sam Shaner <shaner@mit.edu>
Date: Tue, 18 Oct 2016 08:11:19 -0400
Subject: [PATCH 10/10] updated results to mg tests

---
 tests/test_mg_basic/results_true.dat     | 2 +-
 tests/test_mg_max_order/results_true.dat | 2 +-
 tests/test_mg_nuclide/results_true.dat   | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/tests/test_mg_basic/results_true.dat b/tests/test_mg_basic/results_true.dat
index 01b7925469..5178ade21d 100644
--- a/tests/test_mg_basic/results_true.dat
+++ b/tests/test_mg_basic/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.160653E+00 6.227102E-02
+5.788739E-01 1.945182E-02
diff --git a/tests/test_mg_max_order/results_true.dat b/tests/test_mg_max_order/results_true.dat
index 0e470e2cdb..2189587d4f 100644
--- a/tests/test_mg_max_order/results_true.dat
+++ b/tests/test_mg_max_order/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.098323E+00 1.979833E-02
+1.077247E+00 2.412834E-02
diff --git a/tests/test_mg_nuclide/results_true.dat b/tests/test_mg_nuclide/results_true.dat
index 01b7925469..5178ade21d 100644
--- a/tests/test_mg_nuclide/results_true.dat
+++ b/tests/test_mg_nuclide/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.160653E+00 6.227102E-02
+5.788739E-01 1.945182E-02