Merge pull request #834 from nelsonag/mgxslib_version

Added version information to MGXS Library format and files

docs/source/io_formats/mgxs_library.rst

@@ -19,6 +19,8 @@ energy groups, delayed groups, and the energy group structure, etc.) as
 well as the actual cross section data itself for each of the necessary
 nuclides or materials.
 
+The current version of the multi-group library file format is 1.0.
+
 .. _HDF5: http://www.hdfgroup.org/HDF5/
 
 .. _mgxs_lib_spec:
@@ -29,7 +31,11 @@ MGXS Library Specification
 
 **/**
 
-:Attributes: - **energy_groups** (*int*) -- Number of energy groups
+:Attributes: - **filetype** (*char[]*) -- String indicating the type of file;
+               for this library it will be 'mgxs'.
+             - **version** (*int[2]*) -- Major and minor version of the
+               multi-group library file format.
+             - **energy_groups** (*int*) -- Number of energy groups
              - **delayed_groups** (*int*) -- Number of delayed groups (optional)
              - **group structure** (*double[]*) -- Monotonically increasing
                list of group boundaries, in units of eV.  The length of this

examples/xml/pincell_multigroup/geometry.xml

@@ -1,7 +1,7 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
     <cell id="1" material="1" name="cell 1" region="-1" universe="0" />
-    <cell id="2" material="2" name="cell 2" region="((((1 4) -5) 6) -7)" universe="0" />
+    <cell id="2" material="2" name="cell 2" region="1 4 -5 6 -7" universe="0" />
     <surface coeffs="0 0 0.54" id="1" name="Fuel OR" type="z-cylinder" />
     <surface boundary="reflective" coeffs="-0.63" id="4" name="left" type="x-plane" />
     <surface boundary="reflective" coeffs="0.63" id="5" name="right" type="x-plane" />

examples/xml/pincell_multigroup/settings.xml

@@ -1,10 +1,13 @@
 <?xml version='1.0' encoding='utf-8'?>
 <settings>
-  <run_mode>eigenvalue</run_mode>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-  <energy_mode>multi-group</energy_mode>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>100</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+        <space type="box">
+            <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+        </space>
+    </source>
+    <energy_mode>multi-group</energy_mode>
 </settings>

openmc/mgxs_library.py

@@ -25,6 +25,12 @@ _XS_SHAPES = ["[G][G'][Order]", "[G]", "[G']", "[G][G']", "[DG]", "[DG][G]",
 # Number of mu points for conversion between scattering formats
 _NMU = 257
 
+# Filetype name of the MGXS Library
+_FILETYPE_MGXS_LIBRARY = 'mgxs'
+
+# Current version of the MGXS Library Format
+_VERSION_MGXS_LIBRARY = 1
+
 
 class XSdata(object):
     """A multi-group cross section data set providing all the
@@ -2513,6 +2519,8 @@ class MGXSLibrary(object):
 
         # Create and write to the HDF5 file
         file = h5py.File(filename, "w")
+        file.attrs['filetype'] = np.string_(_FILETYPE_MGXS_LIBRARY)
+        file.attrs['version'] = [_VERSION_MGXS_LIBRARY, 0]
         file.attrs['energy_groups'] = self.energy_groups.num_groups
         file.attrs['delayed_groups'] = self.num_delayed_groups
         file.attrs['group structure'] = self.energy_groups.group_edges
@@ -2552,6 +2560,10 @@ class MGXSLibrary(object):
         check_type('filename', filename, str)
         file = h5py.File(filename, 'r')
 
+        # Check filetype and version
+        cv.check_filetype_version(file, _FILETYPE_MGXS_LIBRARY,
+                                  _VERSION_MGXS_LIBRARY)
+
         group_structure = file.attrs['group structure']
         num_delayed_groups = file.attrs['delayed_groups']
         energy_groups = openmc.mgxs.EnergyGroups(group_structure)

src/constants.F90

@@ -22,6 +22,7 @@ module constants
   integer, parameter :: VERSION_SUMMARY(2)          = [5, 0]
   integer, parameter :: VERSION_VOLUME(2)           = [1, 0]
   integer, parameter :: VERSION_VOXEL(2)            = [1, 0]
+  integer, parameter :: VERSION_MGXS_LIBRARY(2)     = [1, 0]
   character(10), parameter :: VERSION_MULTIPOLE     = "v0.2"
 
   ! ============================================================================

src/mgxs_data.F90

@@ -36,6 +36,8 @@ contains
     logical                 :: file_exists
     type(DictCharInt)       :: xsdata_dict
     type(VectorReal), allocatable :: temps(:)
+    character(MAX_WORD_LEN) :: word
+    integer, allocatable    :: array(:)
 
     ! Check if MGXS Library exists
     inquire(FILE=path_cross_sections, EXIST=file_exists)
@@ -55,6 +57,20 @@ contains
     ! Open file for reading
     file_id = file_open(path_cross_sections, 'r', parallel=.true.)
 
+    ! Read filetype
+    call read_attribute(word, file_id, "filetype")
+    if (word /= 'mgxs') then
+      call fatal_error("Provided MGXS Library is not a MGXS Library file.")
+    end if
+
+    ! Read revision number for the MGXS Library file and make sure it matches
+    ! with the current version
+    call read_attribute(array, file_id, "version")
+    if (any(array /= VERSION_MGXS_LIBRARY)) then
+      call fatal_error("MGXS Library file version does not match current &
+                       &version supported by OpenMC.")
+    end if
+
     ! allocate arrays for MGXS storage and cross section cache
     allocate(nuclides_MG(n_nuclides_total))
 !$omp parallel