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MNT: use unix line ends in test CIF files
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+39
-39
lines changed

2 files changed

+39
-39
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src/diffpy/structure/tests/testdata/LiCl-bad.cif

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -11,8 +11,8 @@ _cell_length_a 5.12952
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_cell_length_b 5.12952
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_cell_length_c 5.12952
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_cell_volume 134.968
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_cgraph_comments 'Praezisionsbestimmung von Gitterkonstanten hygroskopischer
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Verbindungen (Li Cl. Na Br).
14+
_cgraph_comments 'Praezisionsbestimmung von Gitterkonstanten hygroskopischer
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Verbindungen (Li Cl. Na Br).
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'
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_cgraph_title 'Lithium Chloride'
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_chemical_formula_sum 'Li Cl'
Lines changed: 37 additions & 37 deletions
Original file line numberDiff line numberDiff line change
@@ -1,37 +1,37 @@
1-
data_TeI
2-
_audit_creation_date 2011-02-15
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_symmetry_space_group_name_H-M 'C 1 2/m 1'
5-
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_cell_length_a 15.383
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_cell_length_b 4.182
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_cell_length_c 11.999
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_cell_angle_alpha 90
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_cell_angle_beta 128.09
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_cell_angle_gamma 90
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loop_
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_atom_site_label
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_atom_site_type_symbol
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_atom_site_fract_x
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_atom_site_fract_y
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_atom_site_fract_z
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_atom_site_U_iso_or_equiv
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_atom_site_adp_type
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_atom_site_occupancy
22-
Te1 Te1+ 0.306590 0.000000 0.185920 0.019227 Uani 1.0000
23-
Te2 Te1+ 0.429170 0.500000 0.168170 0.019784 Uani 1.0000
24-
I1 I1- 0.153740 0.500000 0.182510 0.024813 Uani 1.0000
25-
I2 I1- 0.610730 0.500000 0.448390 0.026878 Uani 1.0000
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loop_
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_atom_site_aniso_label
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_atom_site_aniso_U_11
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_atom_site_aniso_U_22
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_atom_site_aniso_U_33
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_atom_site_aniso_U_12
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_atom_site_aniso_U_13
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_atom_site_aniso_U_23
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Te1 0.021100 0.019500 0.016000 0.000000 0.010900 0.000000
35-
Te2 0.022300 0.018000 0.025400 0.000000 0.017900 0.000000
36-
I1 0.025000 0.023400 0.034500 0.000000 0.022600 0.000000
37-
I2 0.023400 0.029500 0.025300 0.000000 0.013800 0.000000
1+
data_TeI
2+
_audit_creation_date 2011-02-15
3+
4+
_symmetry_space_group_name_H-M 'C 1 2/m 1'
5+
6+
_cell_length_a 15.383
7+
_cell_length_b 4.182
8+
_cell_length_c 11.999
9+
_cell_angle_alpha 90
10+
_cell_angle_beta 128.09
11+
_cell_angle_gamma 90
12+
13+
loop_
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_atom_site_label
15+
_atom_site_type_symbol
16+
_atom_site_fract_x
17+
_atom_site_fract_y
18+
_atom_site_fract_z
19+
_atom_site_U_iso_or_equiv
20+
_atom_site_adp_type
21+
_atom_site_occupancy
22+
Te1 Te1+ 0.306590 0.000000 0.185920 0.019227 Uani 1.0000
23+
Te2 Te1+ 0.429170 0.500000 0.168170 0.019784 Uani 1.0000
24+
I1 I1- 0.153740 0.500000 0.182510 0.024813 Uani 1.0000
25+
I2 I1- 0.610730 0.500000 0.448390 0.026878 Uani 1.0000
26+
loop_
27+
_atom_site_aniso_label
28+
_atom_site_aniso_U_11
29+
_atom_site_aniso_U_22
30+
_atom_site_aniso_U_33
31+
_atom_site_aniso_U_12
32+
_atom_site_aniso_U_13
33+
_atom_site_aniso_U_23
34+
Te1 0.021100 0.019500 0.016000 0.000000 0.010900 0.000000
35+
Te2 0.022300 0.018000 0.025400 0.000000 0.017900 0.000000
36+
I1 0.025000 0.023400 0.034500 0.000000 0.022600 0.000000
37+
I2 0.023400 0.029500 0.025300 0.000000 0.013800 0.000000

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