molmod/test/test_unit_cells.py

44             result = UnitCell(np.random.uniform(-scale, scale, (3, 3)), active)
57                 uc = UnitCell.from_parameters3(in_lengths, in_angles)
150             uc0 = UnitCell(np.identity(3, float), np.zeros(3,bool))
158         uc = UnitCell(np.identity(3,float)*3)
165         uc = UnitCell(np.identity(3,float)*3, np.array([True, False, False]))
189         uc = UnitCell(np.identity(3, float))
195         uc = UnitCell(np.identity(3,float)*3)
220         uc = UnitCell(np.identity(3, float), np.array([True, True, False]))
279         uc = UnitCell(np.identity(3, float), np.array([True, False, False]))
287         uc = UnitCell(np.identity(3, float), np.array([True, False, False]))
298         uc = UnitCell(np.identity(3, float), np.array([True, True, False]))
321         uc = UnitCell(np.array([
439         self.assertAlmostEqual(UnitCell(matrix, np.array([False,False,False])).volume, -1)
440         self.assertAlmostEqual(UnitCell(matrix, np.array([True,False,False])).volume, 10)
441         self.assertAlmostEqual(UnitCell(matrix, np.array([True,True,False])).volume, 100)
442         self.assertAlmostEqual(UnitCell(matrix, np.array([True,True,True])).volume, 1000)
446         uc = UnitCell(matrix)
465         uc = UnitCell(matrix)
477         unit_cell = UnitCell(np.identity(3, float), np.zeros(3, bool))