Пример #1
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 def test_castep_cell_read_labels(self):
     labels = labels_from_cell(self.si_cell)
     self.assertEqual(labels, self.ref_labels)
Пример #2
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 def test_castep_cell_read_labels_alt_spelling(self):
     # CASTEP input is case-insensitive anf allows BS_KPOINTS_LIST
     # as well as BS_KPOINT_LIST                            ^
     labels = labels_from_cell(self.si_cell_alt)
     self.assertEqual(labels, self.ref_labels)
Пример #3
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 def test_castep_cell_read_labels_from_list(self):
     # The Si example uses handwritten .cell files in line-mode.
     # This example using a kgen-written .cell file with all k-points listed
     labels = labels_from_cell(self.ni_cell)
     self.assertEqual(labels, self.ref_labels)