def testLoadXYZ(self):
""" Check that we can load a xyz file and convert it to a dict. """
# Setup path to xyz file.
xyz_path = generateTestFilePath("Fe2O3_poly_test.xyz")
# Attempt to load it.
return_dict = IOUtilities.loadXYZ(xyz_path)
# Check that return type is a dict.
self.assertIsInstance( return_dict, dict )
# Check items on dict.
self.assertIsInstance( return_dict['Z'], numpy.ndarray )
self.assertIsInstance( return_dict['r'], numpy.ndarray )
self.assertIsInstance( return_dict['selZ'], dict )
self.assertIsInstance( return_dict['N'], int )
self.assertEqual( return_dict['Z'].shape, (100,) )
self.assertEqual( return_dict['r'].shape, (100,3) )
