Merge pull request openmc-dev#1854 from pshriwise/statepoint_close

Add close method to `openmc.StatePoint` and update docs/examples for best practices
jtramm · Jun 30, 2021 · 4239716 · 4239716
2 parents b62708f + ff5b73d
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diff --git a/docs/source/usersguide/troubleshoot.rst b/docs/source/usersguide/troubleshoot.rst
@@ -45,6 +45,23 @@ with the :envvar:`OPENMC_CROSS_SECTIONS` environment variable. It is recommended
 to add a line in your ``.profile`` or ``.bash_profile`` setting the
 :envvar:`OPENMC_CROSS_SECTIONS` environment variable.
 
+RuntimeError: Failed to open HDF5 file with mode 'w': summary.h5
+****************************************************************
+
+This often occurs when working with the Python API and executing multiple OpenMC
+runs in a script. If an :class:`openmc.StatePoint` is open in the Python interpreter,
+the file handle of the statepoint file as well as the linked `summary.h5` file will
+be unavailable for writing, causing this error to appear. To avoid this situation,
+it is recommended that data be extracted from statepoint files in a context manager:
+
+.. code-block:: python
+
+    with openmc.StatePoint('statepoint.10.h5') as sp:
+        k_eff = sp.k_combined
+
+or that the :meth:`StatePoint.close` method is called before executing a subsequent
+OpenMC run.
+
 Geometry Debugging
 ******************
 

diff --git a/examples/jupyter/cad-based-geometry.ipynb b/examples/jupyter/cad-based-geometry.ipynb
diff --git a/examples/jupyter/candu.ipynb b/examples/jupyter/candu.ipynb
diff --git a/examples/jupyter/mdgxs-part-i.ipynb b/examples/jupyter/mdgxs-part-i.ipynb
diff --git a/examples/jupyter/mdgxs-part-ii.ipynb b/examples/jupyter/mdgxs-part-ii.ipynb
diff --git a/examples/jupyter/mg-mode-part-i.ipynb b/examples/jupyter/mg-mode-part-i.ipynb
diff --git a/examples/jupyter/mg-mode-part-ii.ipynb b/examples/jupyter/mg-mode-part-ii.ipynb
diff --git a/examples/jupyter/mg-mode-part-iii.ipynb b/examples/jupyter/mg-mode-part-iii.ipynb
diff --git a/examples/jupyter/mgxs-part-i.ipynb b/examples/jupyter/mgxs-part-i.ipynb
diff --git a/examples/jupyter/mgxs-part-iii.ipynb b/examples/jupyter/mgxs-part-iii.ipynb
diff --git a/examples/jupyter/pandas-dataframes.ipynb b/examples/jupyter/pandas-dataframes.ipynb
diff --git a/examples/jupyter/post-processing.ipynb b/examples/jupyter/post-processing.ipynb
diff --git a/examples/jupyter/tally-arithmetic.ipynb b/examples/jupyter/tally-arithmetic.ipynb
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
@@ -153,9 +153,7 @@ def __enter__(self):
         return self
 
     def __exit__(self, *exc):
-        self._f.close()
-        if self._summary is not None:
-            self._summary._f.close()
+        self.close()
 
     @property
     def cmfd_on(self):
@@ -490,6 +488,14 @@ def sparse(self, sparse):
             for tally_id in self.tallies:
                 self.tallies[tally_id].sparse = self.sparse
 
+    def close(self):
+        """Close the statepoint HDF5 file and the corresponding
+        summary HDF5 file if present.
+        """
+        self._f.close()
+        if self._summary is not None:
+            self._summary._f.close()
+
     def add_volume_information(self, volume_calc):
         """Add volume information to the geometry within the file