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from hikari .dataframes .cif import CifValidator
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from hikari .symmetry import PG
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- rad60 = 1.0471975511965976
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- rad70 = 1.2217304763960306
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- rad80 = 1.3962634015954636
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- rad90 = 1.5707963267948966
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-
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- u1 = uncertainties .ufloat (1 , 1 )
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- upi = uncertainties .ufloat (np .pi , 0 )
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- u6 = uncertainties .ufloat (6.0 , 0.1 )
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- u7 = uncertainties .ufloat (7.0 , 0.1 )
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- u8 = uncertainties .ufloat (8.0 , 0.1 )
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- u60 = uncertainties .ufloat (60.0 , 1.0 )
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- u70 = uncertainties .ufloat (70.0 , 1.0 )
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- u80 = uncertainties .ufloat (80.0 , 1.0 )
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- u90 = uncertainties .ufloat (90.0 , 1.0 )
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+ RAD60 = 1.0471975511965976
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+ RAD70 = 1.2217304763960306
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+ RAD80 = 1.3962634015954636
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+ RAD90 = 1.5707963267948966
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+
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+ U1 = uncertainties .ufloat (1 , 1 )
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+ U6 = uncertainties .ufloat (6.0 , 0.1 )
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+ U7 = uncertainties .ufloat (7.0 , 0.1 )
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+ U8 = uncertainties .ufloat (8.0 , 0.1 )
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+ U60 = uncertainties .ufloat (60.0 , 1.0 )
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+ U70 = uncertainties .ufloat (70.0 , 1.0 )
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+ U80 = uncertainties .ufloat (80.0 , 1.0 )
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+ U90 = uncertainties .ufloat (90.0 , 1.0 )
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class TempFile :
@@ -52,17 +51,17 @@ def test_init(self):
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self .assertAlmostEqual (b .a_d , 1. )
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self .assertAlmostEqual (b .b_d , 1. )
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self .assertAlmostEqual (b .c_d , 1. )
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- self .assertAlmostEqual (b .al_d , rad90 )
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- self .assertAlmostEqual (b .be_d , rad90 )
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- self .assertAlmostEqual (b .ga_d , rad90 )
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+ self .assertAlmostEqual (b .al_d , RAD90 )
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+ self .assertAlmostEqual (b .be_d , RAD90 )
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+ self .assertAlmostEqual (b .ga_d , RAD90 )
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def test_edit_cell (self ):
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self .assertAlmostEqual (self .b .a_d , 6. )
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self .assertAlmostEqual (self .b .b_d , 7. )
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self .assertAlmostEqual (self .b .c_d , 8. )
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- self .assertAlmostEqual (self .b .al_d , rad60 )
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- self .assertAlmostEqual (self .b .be_d , rad70 )
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- self .assertAlmostEqual (self .b .ga_d , rad80 )
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+ self .assertAlmostEqual (self .b .al_d , RAD60 )
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+ self .assertAlmostEqual (self .b .be_d , RAD70 )
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+ self .assertAlmostEqual (self .b .ga_d , RAD80 )
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with self .assertRaises (KeyError ):
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BaseFrame ().edit_cell (alpha = 0.0 )
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@@ -139,19 +138,19 @@ def test_get_as_type_single(self):
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self .assertEqual (self .b .get_as_type (k , typ = str ), '90' )
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self .assertEqual (self .b .get_as_type (k , typ = int ), 90 )
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u_typ = uncertainties .ufloat_fromstr
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- self .assertEqual (repr (self .b .get_as_type (k , typ = u_typ )), repr (u90 ))
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+ self .assertEqual (repr (self .b .get_as_type (k , typ = u_typ )), repr (U90 ))
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def test_get_as_type_list (self ):
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k = '_atom_site_occupancy'
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self .assertEqual (self .b .get_as_type (k , typ = str ), ['1' , '1' ])
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self .assertEqual (self .b .get_as_type (k , typ = int ), [1 , 1 ])
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u_typ = uncertainties .ufloat_fromstr
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- self .assertEqual (repr (self .b .get_as_type (k , typ = u_typ )), repr ([u1 , u1 ]))
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+ self .assertEqual (repr (self .b .get_as_type (k , typ = u_typ )), repr ([U1 , U1 ]))
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def test_get_as_type_exceptions (self ):
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with self .assertRaises (KeyError ):
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_ = self .b .get_as_type ('_nonexistent_key' , str )
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- self .b ['_cell_angle_beta' ] = u90
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+ self .b ['_cell_angle_beta' ] = U90
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with self .assertRaises (TypeError ):
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_ = self .b .get_as_type ('_cell_angle_beta' , str )
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@@ -288,7 +287,7 @@ class TestUBaseFrame(unittest.TestCase):
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def setUp (self ) -> None :
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self .b = UBaseFrame ()
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- self .b .edit_cell (a = u6 , b = u7 , c = u8 , al = u60 , be = u70 , ga = u80 )
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+ self .b .edit_cell (a = U6 , b = U7 , c = U8 , al = U60 , be = U70 , ga = U80 )
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def test_init (self ):
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b = UBaseFrame ()
@@ -303,9 +302,9 @@ def test_edit_cell(self):
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self .assertAlmostEqual (self .b .a_d .n , 6 )
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self .assertAlmostEqual (self .b .b_d .n , 7 )
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self .assertAlmostEqual (self .b .c_d .n , 8 )
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- self .assertAlmostEqual (self .b .al_d .n , rad60 )
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- self .assertAlmostEqual (self .b .be_d .n , rad70 )
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- self .assertAlmostEqual (self .b .ga_d .n , rad80 )
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+ self .assertAlmostEqual (self .b .al_d .n , RAD60 )
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+ self .assertAlmostEqual (self .b .be_d .n , RAD70 )
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+ self .assertAlmostEqual (self .b .ga_d .n , RAD80 )
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with self .assertRaises (KeyError ):
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BaseFrame ().edit_cell (alpha = 0.0 )
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