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lines changed Original file line number Diff line number Diff line change 1414import os
1515import tempfile
1616import unittest
17+ from unittest .mock import patch
1718import h5py
1819import numpy .random
1920import scipy .linalg
@@ -367,3 +368,14 @@ def test_load_no_general_calculations(self):
367368 # Load the molecule and check that general_calculations is empty.
368369 new_molecule = MolecularData (filename = filename )
369370 self .assertEqual (new_molecule .general_calculations , {})
371+
372+ def test_get_from_file_exceptions (self ):
373+ with patch ('h5py.File' ) as mock_file :
374+ mock_file .return_value .__enter__ .return_value .__getitem__ .side_effect = KeyError
375+ data = self .molecule .get_from_file ("nonexistent_property" )
376+ self .assertIsNone (data )
377+
378+ with patch ('h5py.File' ) as mock_file :
379+ mock_file .side_effect = IOError
380+ data = self .molecule .get_from_file ("any_property" )
381+ self .assertIsNone (data )
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