@@ -464,6 +464,7 @@ def test_element(self):
464464 return
465465
466466
467+ @unittest .expectedFailure
467468 def test_xyz (self ):
468469 """check Structure.xyz
469470 """
@@ -473,6 +474,10 @@ def test_xyz(self):
473474 stru .xyz += 0.1
474475 self .assertTrue (numpy .array_equal ([0.1 , 0.1 , 0.1 ], stru [0 ].xyz ))
475476 self .assertTrue (numpy .array_equal ([1.1 , 1.1 , 1.1 ], stru [1 ].xyz ))
477+ stru .xyz = 0
478+ stru [1 ].xyz [:] = 1
479+ self .assertTrue (numpy .array_equal ([0 , 0 , 0 ], stru [0 ].xyz ))
480+ self .assertTrue (numpy .array_equal ([1 , 1 , 1 ], stru [0 ].xyz ))
476481 return
477482
478483
@@ -527,13 +532,16 @@ def test_label(self):
527532 return
528533
529534
535+ @unittest .expectedFailure
530536 def test_occupancy (self ):
531537 """check Structure.occupancy
532538 """
533539 cdse = self .cdse
534540 self .assertTrue (numpy .array_equal (numpy .ones (4 ), cdse .occupancy ))
535541 self .stru .occupancy *= 0.5
536542 self .assertEqual (1.0 , sum ([a .occupancy for a in self .stru ]))
543+ cdse .occupancy = 1
544+ self .assertTrue (all (isinstance (a .occupancy , int ) for a in cdse ))
537545 return
538546
539547
@@ -588,6 +596,9 @@ def test_U(self):
588596 stru .U = 0
589597 self .assertTrue (numpy .all (stru .anisotropy ))
590598 self .assertFalse (numpy .any (stru .U != 0.0 ))
599+ stru [1 ].U [:] = 1
600+ self .assertTrue (numpy .all (stru [0 ].U == 0.0 ))
601+ self .assertTrue (numpy .all (stru [1 ].U == 1.0 ))
591602 return
592603
593604
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