diffpy.structure 3.2.0__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- diffpy/Structure.py +35 -0
- diffpy/__init__.py +23 -0
- diffpy/structure/__init__.py +93 -0
- diffpy/structure/_legacy_importer.py +88 -0
- diffpy/structure/apps/__init__.py +17 -0
- diffpy/structure/apps/anyeye.py +284 -0
- diffpy/structure/apps/transtru.py +126 -0
- diffpy/structure/atom.py +544 -0
- diffpy/structure/expansion/__init__.py +27 -0
- diffpy/structure/expansion/makeellipsoid.py +129 -0
- diffpy/structure/expansion/shapeutils.py +44 -0
- diffpy/structure/expansion/supercell_mod.py +91 -0
- diffpy/structure/lattice.py +663 -0
- diffpy/structure/mmlibspacegroups.py +8154 -0
- diffpy/structure/parsers/__init__.py +83 -0
- diffpy/structure/parsers/p_auto.py +217 -0
- diffpy/structure/parsers/p_cif.py +876 -0
- diffpy/structure/parsers/p_discus.py +312 -0
- diffpy/structure/parsers/p_pdb.py +405 -0
- diffpy/structure/parsers/p_pdffit.py +290 -0
- diffpy/structure/parsers/p_rawxyz.py +149 -0
- diffpy/structure/parsers/p_xcfg.py +457 -0
- diffpy/structure/parsers/p_xyz.py +161 -0
- diffpy/structure/parsers/parser_index_mod.py +108 -0
- diffpy/structure/parsers/structureparser.py +80 -0
- diffpy/structure/pdffitstructure.py +109 -0
- diffpy/structure/sgtbxspacegroups.py +5198 -0
- diffpy/structure/spacegroupmod.py +329 -0
- diffpy/structure/spacegroups.py +1441 -0
- diffpy/structure/structure.py +866 -0
- diffpy/structure/structureerrors.py +35 -0
- diffpy/structure/symmetryutilities.py +1100 -0
- diffpy/structure/utils.py +126 -0
- diffpy/structure/version.py +26 -0
- diffpy.structure-3.2.0.dist-info/AUTHORS.rst +13 -0
- diffpy.structure-3.2.0.dist-info/LICENSE.rst +141 -0
- diffpy.structure-3.2.0.dist-info/LICENSE_DANSE.rst +50 -0
- diffpy.structure-3.2.0.dist-info/LICENSE_pymmlib.rst +203 -0
- diffpy.structure-3.2.0.dist-info/METADATA +197 -0
- diffpy.structure-3.2.0.dist-info/RECORD +42 -0
- diffpy.structure-3.2.0.dist-info/WHEEL +5 -0
- diffpy.structure-3.2.0.dist-info/top_level.txt +1 -0
|
@@ -0,0 +1,1441 @@
|
|
|
1
|
+
#!/usr/bin/env python
|
|
2
|
+
##############################################################################
|
|
3
|
+
#
|
|
4
|
+
# diffpy.structure by DANSE Diffraction group
|
|
5
|
+
# Simon J. L. Billinge
|
|
6
|
+
# (c) 2011 Trustees of the Columbia University
|
|
7
|
+
# in the City of New York. All rights reserved.
|
|
8
|
+
#
|
|
9
|
+
# File coded by: Pavol Juhas
|
|
10
|
+
#
|
|
11
|
+
# See AUTHORS.txt for a list of people who contributed.
|
|
12
|
+
# See LICENSE_DANSE.txt for license information.
|
|
13
|
+
#
|
|
14
|
+
##############################################################################
|
|
15
|
+
|
|
16
|
+
"""Space group classes and definitions from mmLib and sgtbx.
|
|
17
|
+
|
|
18
|
+
Attributes
|
|
19
|
+
----------
|
|
20
|
+
SpaceGroupList : list
|
|
21
|
+
List of all spacegroup definitions.
|
|
22
|
+
"""
|
|
23
|
+
|
|
24
|
+
import copy
|
|
25
|
+
from itertools import zip_longest
|
|
26
|
+
|
|
27
|
+
from diffpy.structure.mmlibspacegroups import (
|
|
28
|
+
mmLibSpaceGroupList,
|
|
29
|
+
sg1,
|
|
30
|
+
sg2,
|
|
31
|
+
sg3,
|
|
32
|
+
sg4,
|
|
33
|
+
sg5,
|
|
34
|
+
sg6,
|
|
35
|
+
sg7,
|
|
36
|
+
sg8,
|
|
37
|
+
sg9,
|
|
38
|
+
sg10,
|
|
39
|
+
sg11,
|
|
40
|
+
sg12,
|
|
41
|
+
sg13,
|
|
42
|
+
sg14,
|
|
43
|
+
sg15,
|
|
44
|
+
sg16,
|
|
45
|
+
sg17,
|
|
46
|
+
sg18,
|
|
47
|
+
sg19,
|
|
48
|
+
sg20,
|
|
49
|
+
sg21,
|
|
50
|
+
sg22,
|
|
51
|
+
sg23,
|
|
52
|
+
sg24,
|
|
53
|
+
sg25,
|
|
54
|
+
sg26,
|
|
55
|
+
sg27,
|
|
56
|
+
sg28,
|
|
57
|
+
sg29,
|
|
58
|
+
sg30,
|
|
59
|
+
sg31,
|
|
60
|
+
sg32,
|
|
61
|
+
sg33,
|
|
62
|
+
sg34,
|
|
63
|
+
sg35,
|
|
64
|
+
sg36,
|
|
65
|
+
sg37,
|
|
66
|
+
sg38,
|
|
67
|
+
sg39,
|
|
68
|
+
sg40,
|
|
69
|
+
sg41,
|
|
70
|
+
sg42,
|
|
71
|
+
sg43,
|
|
72
|
+
sg44,
|
|
73
|
+
sg45,
|
|
74
|
+
sg46,
|
|
75
|
+
sg47,
|
|
76
|
+
sg48,
|
|
77
|
+
sg49,
|
|
78
|
+
sg50,
|
|
79
|
+
sg51,
|
|
80
|
+
sg52,
|
|
81
|
+
sg53,
|
|
82
|
+
sg54,
|
|
83
|
+
sg55,
|
|
84
|
+
sg56,
|
|
85
|
+
sg57,
|
|
86
|
+
sg58,
|
|
87
|
+
sg59,
|
|
88
|
+
sg60,
|
|
89
|
+
sg61,
|
|
90
|
+
sg62,
|
|
91
|
+
sg63,
|
|
92
|
+
sg64,
|
|
93
|
+
sg65,
|
|
94
|
+
sg66,
|
|
95
|
+
sg67,
|
|
96
|
+
sg68,
|
|
97
|
+
sg69,
|
|
98
|
+
sg70,
|
|
99
|
+
sg71,
|
|
100
|
+
sg72,
|
|
101
|
+
sg73,
|
|
102
|
+
sg74,
|
|
103
|
+
sg75,
|
|
104
|
+
sg76,
|
|
105
|
+
sg77,
|
|
106
|
+
sg78,
|
|
107
|
+
sg79,
|
|
108
|
+
sg80,
|
|
109
|
+
sg81,
|
|
110
|
+
sg82,
|
|
111
|
+
sg83,
|
|
112
|
+
sg84,
|
|
113
|
+
sg85,
|
|
114
|
+
sg86,
|
|
115
|
+
sg87,
|
|
116
|
+
sg88,
|
|
117
|
+
sg89,
|
|
118
|
+
sg90,
|
|
119
|
+
sg91,
|
|
120
|
+
sg92,
|
|
121
|
+
sg93,
|
|
122
|
+
sg94,
|
|
123
|
+
sg95,
|
|
124
|
+
sg96,
|
|
125
|
+
sg97,
|
|
126
|
+
sg98,
|
|
127
|
+
sg99,
|
|
128
|
+
sg100,
|
|
129
|
+
sg101,
|
|
130
|
+
sg102,
|
|
131
|
+
sg103,
|
|
132
|
+
sg104,
|
|
133
|
+
sg105,
|
|
134
|
+
sg106,
|
|
135
|
+
sg107,
|
|
136
|
+
sg108,
|
|
137
|
+
sg109,
|
|
138
|
+
sg110,
|
|
139
|
+
sg111,
|
|
140
|
+
sg112,
|
|
141
|
+
sg113,
|
|
142
|
+
sg114,
|
|
143
|
+
sg115,
|
|
144
|
+
sg116,
|
|
145
|
+
sg117,
|
|
146
|
+
sg118,
|
|
147
|
+
sg119,
|
|
148
|
+
sg120,
|
|
149
|
+
sg121,
|
|
150
|
+
sg122,
|
|
151
|
+
sg123,
|
|
152
|
+
sg124,
|
|
153
|
+
sg125,
|
|
154
|
+
sg126,
|
|
155
|
+
sg127,
|
|
156
|
+
sg128,
|
|
157
|
+
sg129,
|
|
158
|
+
sg130,
|
|
159
|
+
sg131,
|
|
160
|
+
sg132,
|
|
161
|
+
sg133,
|
|
162
|
+
sg134,
|
|
163
|
+
sg135,
|
|
164
|
+
sg136,
|
|
165
|
+
sg137,
|
|
166
|
+
sg138,
|
|
167
|
+
sg139,
|
|
168
|
+
sg140,
|
|
169
|
+
sg141,
|
|
170
|
+
sg142,
|
|
171
|
+
sg143,
|
|
172
|
+
sg144,
|
|
173
|
+
sg145,
|
|
174
|
+
sg146,
|
|
175
|
+
sg147,
|
|
176
|
+
sg148,
|
|
177
|
+
sg149,
|
|
178
|
+
sg150,
|
|
179
|
+
sg151,
|
|
180
|
+
sg152,
|
|
181
|
+
sg153,
|
|
182
|
+
sg154,
|
|
183
|
+
sg155,
|
|
184
|
+
sg156,
|
|
185
|
+
sg157,
|
|
186
|
+
sg158,
|
|
187
|
+
sg159,
|
|
188
|
+
sg160,
|
|
189
|
+
sg161,
|
|
190
|
+
sg162,
|
|
191
|
+
sg163,
|
|
192
|
+
sg164,
|
|
193
|
+
sg165,
|
|
194
|
+
sg166,
|
|
195
|
+
sg167,
|
|
196
|
+
sg168,
|
|
197
|
+
sg169,
|
|
198
|
+
sg170,
|
|
199
|
+
sg171,
|
|
200
|
+
sg172,
|
|
201
|
+
sg173,
|
|
202
|
+
sg174,
|
|
203
|
+
sg175,
|
|
204
|
+
sg176,
|
|
205
|
+
sg177,
|
|
206
|
+
sg178,
|
|
207
|
+
sg179,
|
|
208
|
+
sg180,
|
|
209
|
+
sg181,
|
|
210
|
+
sg182,
|
|
211
|
+
sg183,
|
|
212
|
+
sg184,
|
|
213
|
+
sg185,
|
|
214
|
+
sg186,
|
|
215
|
+
sg187,
|
|
216
|
+
sg188,
|
|
217
|
+
sg189,
|
|
218
|
+
sg190,
|
|
219
|
+
sg191,
|
|
220
|
+
sg192,
|
|
221
|
+
sg193,
|
|
222
|
+
sg194,
|
|
223
|
+
sg195,
|
|
224
|
+
sg196,
|
|
225
|
+
sg197,
|
|
226
|
+
sg198,
|
|
227
|
+
sg199,
|
|
228
|
+
sg200,
|
|
229
|
+
sg201,
|
|
230
|
+
sg202,
|
|
231
|
+
sg203,
|
|
232
|
+
sg204,
|
|
233
|
+
sg205,
|
|
234
|
+
sg206,
|
|
235
|
+
sg207,
|
|
236
|
+
sg208,
|
|
237
|
+
sg209,
|
|
238
|
+
sg210,
|
|
239
|
+
sg211,
|
|
240
|
+
sg212,
|
|
241
|
+
sg213,
|
|
242
|
+
sg214,
|
|
243
|
+
sg215,
|
|
244
|
+
sg216,
|
|
245
|
+
sg217,
|
|
246
|
+
sg218,
|
|
247
|
+
sg219,
|
|
248
|
+
sg220,
|
|
249
|
+
sg221,
|
|
250
|
+
sg222,
|
|
251
|
+
sg223,
|
|
252
|
+
sg224,
|
|
253
|
+
sg225,
|
|
254
|
+
sg226,
|
|
255
|
+
sg227,
|
|
256
|
+
sg228,
|
|
257
|
+
sg229,
|
|
258
|
+
sg230,
|
|
259
|
+
sg1003,
|
|
260
|
+
sg1004,
|
|
261
|
+
sg1005,
|
|
262
|
+
sg1006,
|
|
263
|
+
sg1007,
|
|
264
|
+
sg1008,
|
|
265
|
+
sg1009,
|
|
266
|
+
sg1010,
|
|
267
|
+
sg1011,
|
|
268
|
+
sg1012,
|
|
269
|
+
sg1013,
|
|
270
|
+
sg1014,
|
|
271
|
+
sg1015,
|
|
272
|
+
sg1017,
|
|
273
|
+
sg1018,
|
|
274
|
+
sg1020,
|
|
275
|
+
sg1021,
|
|
276
|
+
sg1022,
|
|
277
|
+
sg1023,
|
|
278
|
+
sg1059,
|
|
279
|
+
sg1094,
|
|
280
|
+
sg1146,
|
|
281
|
+
sg1148,
|
|
282
|
+
sg1155,
|
|
283
|
+
sg1160,
|
|
284
|
+
sg1161,
|
|
285
|
+
sg1166,
|
|
286
|
+
sg1167,
|
|
287
|
+
sg1197,
|
|
288
|
+
sg2005,
|
|
289
|
+
sg2017,
|
|
290
|
+
sg2018,
|
|
291
|
+
sg3004,
|
|
292
|
+
sg3005,
|
|
293
|
+
sg3018,
|
|
294
|
+
)
|
|
295
|
+
from diffpy.structure.sgtbxspacegroups import (
|
|
296
|
+
sg1025,
|
|
297
|
+
sg1026,
|
|
298
|
+
sg1027,
|
|
299
|
+
sg1028,
|
|
300
|
+
sg1029,
|
|
301
|
+
sg1030,
|
|
302
|
+
sg1031,
|
|
303
|
+
sg1032,
|
|
304
|
+
sg1033,
|
|
305
|
+
sg1034,
|
|
306
|
+
sg1035,
|
|
307
|
+
sg1036,
|
|
308
|
+
sg1037,
|
|
309
|
+
sg1038,
|
|
310
|
+
sg1039,
|
|
311
|
+
sg1040,
|
|
312
|
+
sg1041,
|
|
313
|
+
sg1042,
|
|
314
|
+
sg1043,
|
|
315
|
+
sg1044,
|
|
316
|
+
sg1045,
|
|
317
|
+
sg1046,
|
|
318
|
+
sg1049,
|
|
319
|
+
sg1050,
|
|
320
|
+
sg1051,
|
|
321
|
+
sg1052,
|
|
322
|
+
sg1053,
|
|
323
|
+
sg1054,
|
|
324
|
+
sg1055,
|
|
325
|
+
sg1056,
|
|
326
|
+
sg1057,
|
|
327
|
+
sg1058,
|
|
328
|
+
sg1060,
|
|
329
|
+
sg1061,
|
|
330
|
+
sg1062,
|
|
331
|
+
sg1063,
|
|
332
|
+
sg1064,
|
|
333
|
+
sg1065,
|
|
334
|
+
sg1066,
|
|
335
|
+
sg1067,
|
|
336
|
+
sg1068,
|
|
337
|
+
sg1072,
|
|
338
|
+
sg1073,
|
|
339
|
+
sg1074,
|
|
340
|
+
sg2003,
|
|
341
|
+
sg2004,
|
|
342
|
+
sg2006,
|
|
343
|
+
sg2007,
|
|
344
|
+
sg2008,
|
|
345
|
+
sg2009,
|
|
346
|
+
sg2010,
|
|
347
|
+
sg2011,
|
|
348
|
+
sg2012,
|
|
349
|
+
sg2013,
|
|
350
|
+
sg2014,
|
|
351
|
+
sg2015,
|
|
352
|
+
sg2020,
|
|
353
|
+
sg2021,
|
|
354
|
+
sg2025,
|
|
355
|
+
sg2026,
|
|
356
|
+
sg2027,
|
|
357
|
+
sg2028,
|
|
358
|
+
sg2029,
|
|
359
|
+
sg2030,
|
|
360
|
+
sg2031,
|
|
361
|
+
sg2032,
|
|
362
|
+
sg2033,
|
|
363
|
+
sg2034,
|
|
364
|
+
sg2035,
|
|
365
|
+
sg2036,
|
|
366
|
+
sg2037,
|
|
367
|
+
sg2038,
|
|
368
|
+
sg2039,
|
|
369
|
+
sg2040,
|
|
370
|
+
sg2041,
|
|
371
|
+
sg2042,
|
|
372
|
+
sg2043,
|
|
373
|
+
sg2044,
|
|
374
|
+
sg2045,
|
|
375
|
+
sg2046,
|
|
376
|
+
sg2049,
|
|
377
|
+
sg2050,
|
|
378
|
+
sg2051,
|
|
379
|
+
sg2052,
|
|
380
|
+
sg2053,
|
|
381
|
+
sg2054,
|
|
382
|
+
sg2055,
|
|
383
|
+
sg2056,
|
|
384
|
+
sg2057,
|
|
385
|
+
sg2058,
|
|
386
|
+
sg2059,
|
|
387
|
+
sg2060,
|
|
388
|
+
sg2062,
|
|
389
|
+
sg2063,
|
|
390
|
+
sg2064,
|
|
391
|
+
sg2065,
|
|
392
|
+
sg2066,
|
|
393
|
+
sg2067,
|
|
394
|
+
sg2068,
|
|
395
|
+
sg2072,
|
|
396
|
+
sg2074,
|
|
397
|
+
sg3007,
|
|
398
|
+
sg3008,
|
|
399
|
+
sg3009,
|
|
400
|
+
sg3012,
|
|
401
|
+
sg3013,
|
|
402
|
+
sg3014,
|
|
403
|
+
sg3015,
|
|
404
|
+
sg3020,
|
|
405
|
+
sg3021,
|
|
406
|
+
sg3026,
|
|
407
|
+
sg3028,
|
|
408
|
+
sg3029,
|
|
409
|
+
sg3030,
|
|
410
|
+
sg3031,
|
|
411
|
+
sg3033,
|
|
412
|
+
sg3036,
|
|
413
|
+
sg3038,
|
|
414
|
+
sg3039,
|
|
415
|
+
sg3040,
|
|
416
|
+
sg3041,
|
|
417
|
+
sg3046,
|
|
418
|
+
sg3050,
|
|
419
|
+
sg3051,
|
|
420
|
+
sg3052,
|
|
421
|
+
sg3053,
|
|
422
|
+
sg3054,
|
|
423
|
+
sg3057,
|
|
424
|
+
sg3059,
|
|
425
|
+
sg3060,
|
|
426
|
+
sg3062,
|
|
427
|
+
sg3063,
|
|
428
|
+
sg3064,
|
|
429
|
+
sg3067,
|
|
430
|
+
sg3068,
|
|
431
|
+
sg3074,
|
|
432
|
+
sg4005,
|
|
433
|
+
sg4007,
|
|
434
|
+
sg4008,
|
|
435
|
+
sg4009,
|
|
436
|
+
sg4012,
|
|
437
|
+
sg4013,
|
|
438
|
+
sg4014,
|
|
439
|
+
sg4015,
|
|
440
|
+
sg4026,
|
|
441
|
+
sg4028,
|
|
442
|
+
sg4029,
|
|
443
|
+
sg4030,
|
|
444
|
+
sg4031,
|
|
445
|
+
sg4033,
|
|
446
|
+
sg4036,
|
|
447
|
+
sg4038,
|
|
448
|
+
sg4039,
|
|
449
|
+
sg4040,
|
|
450
|
+
sg4041,
|
|
451
|
+
sg4046,
|
|
452
|
+
sg4050,
|
|
453
|
+
sg4051,
|
|
454
|
+
sg4052,
|
|
455
|
+
sg4053,
|
|
456
|
+
sg4054,
|
|
457
|
+
sg4057,
|
|
458
|
+
sg4059,
|
|
459
|
+
sg4060,
|
|
460
|
+
sg4062,
|
|
461
|
+
sg4063,
|
|
462
|
+
sg4064,
|
|
463
|
+
sg4067,
|
|
464
|
+
sg4068,
|
|
465
|
+
sg4074,
|
|
466
|
+
sg5005,
|
|
467
|
+
sg5007,
|
|
468
|
+
sg5008,
|
|
469
|
+
sg5009,
|
|
470
|
+
sg5012,
|
|
471
|
+
sg5013,
|
|
472
|
+
sg5014,
|
|
473
|
+
sg5015,
|
|
474
|
+
sg5026,
|
|
475
|
+
sg5028,
|
|
476
|
+
sg5029,
|
|
477
|
+
sg5030,
|
|
478
|
+
sg5031,
|
|
479
|
+
sg5033,
|
|
480
|
+
sg5036,
|
|
481
|
+
sg5038,
|
|
482
|
+
sg5039,
|
|
483
|
+
sg5040,
|
|
484
|
+
sg5041,
|
|
485
|
+
sg5046,
|
|
486
|
+
sg5051,
|
|
487
|
+
sg5052,
|
|
488
|
+
sg5053,
|
|
489
|
+
sg5054,
|
|
490
|
+
sg5057,
|
|
491
|
+
sg5059,
|
|
492
|
+
sg5060,
|
|
493
|
+
sg5062,
|
|
494
|
+
sg5063,
|
|
495
|
+
sg5064,
|
|
496
|
+
sg5067,
|
|
497
|
+
sg5068,
|
|
498
|
+
sg5074,
|
|
499
|
+
sg6005,
|
|
500
|
+
sg6007,
|
|
501
|
+
sg6008,
|
|
502
|
+
sg6009,
|
|
503
|
+
sg6012,
|
|
504
|
+
sg6013,
|
|
505
|
+
sg6014,
|
|
506
|
+
sg6015,
|
|
507
|
+
sg6068,
|
|
508
|
+
sg7005,
|
|
509
|
+
sg7007,
|
|
510
|
+
sg7008,
|
|
511
|
+
sg7009,
|
|
512
|
+
sg7012,
|
|
513
|
+
sg7013,
|
|
514
|
+
sg7014,
|
|
515
|
+
sg7015,
|
|
516
|
+
sg7068,
|
|
517
|
+
sg8005,
|
|
518
|
+
sg8007,
|
|
519
|
+
sg8008,
|
|
520
|
+
sg8009,
|
|
521
|
+
sg8012,
|
|
522
|
+
sg8013,
|
|
523
|
+
sg8014,
|
|
524
|
+
sg8015,
|
|
525
|
+
sg9005,
|
|
526
|
+
sg9009,
|
|
527
|
+
sg9015,
|
|
528
|
+
sg10005,
|
|
529
|
+
sg10009,
|
|
530
|
+
sg10015,
|
|
531
|
+
sg11009,
|
|
532
|
+
sg11015,
|
|
533
|
+
sg12009,
|
|
534
|
+
sg12015,
|
|
535
|
+
sg13009,
|
|
536
|
+
sg13015,
|
|
537
|
+
sg14009,
|
|
538
|
+
sg14015,
|
|
539
|
+
sg15009,
|
|
540
|
+
sg15015,
|
|
541
|
+
sg16009,
|
|
542
|
+
sg16015,
|
|
543
|
+
sg17009,
|
|
544
|
+
sg17015,
|
|
545
|
+
sgtbxSpaceGroupList,
|
|
546
|
+
)
|
|
547
|
+
from diffpy.structure.spacegroupmod import (
|
|
548
|
+
Rot_mX_mXY_mZ,
|
|
549
|
+
Rot_mX_mXY_Z,
|
|
550
|
+
Rot_mX_mY_mZ,
|
|
551
|
+
Rot_mX_mY_Z,
|
|
552
|
+
Rot_mX_mZ_mY,
|
|
553
|
+
Rot_mX_mZ_Y,
|
|
554
|
+
Rot_mX_Y_mZ,
|
|
555
|
+
Rot_mX_Y_Z,
|
|
556
|
+
Rot_mX_Z_mY,
|
|
557
|
+
Rot_mX_Z_Y,
|
|
558
|
+
Rot_mXY_mX_mZ,
|
|
559
|
+
Rot_mXY_mX_Z,
|
|
560
|
+
Rot_mXY_Y_mZ,
|
|
561
|
+
Rot_mXY_Y_Z,
|
|
562
|
+
Rot_mY_mX_mZ,
|
|
563
|
+
Rot_mY_mX_Z,
|
|
564
|
+
Rot_mY_mZ_mX,
|
|
565
|
+
Rot_mY_mZ_X,
|
|
566
|
+
Rot_mY_X_mZ,
|
|
567
|
+
Rot_mY_X_Z,
|
|
568
|
+
Rot_mY_XmY_mZ,
|
|
569
|
+
Rot_mY_XmY_Z,
|
|
570
|
+
Rot_mY_Z_mX,
|
|
571
|
+
Rot_mY_Z_X,
|
|
572
|
+
Rot_mZ_mX_mY,
|
|
573
|
+
Rot_mZ_mX_Y,
|
|
574
|
+
Rot_mZ_mY_mX,
|
|
575
|
+
Rot_mZ_mY_X,
|
|
576
|
+
Rot_mZ_X_mY,
|
|
577
|
+
Rot_mZ_X_Y,
|
|
578
|
+
Rot_mZ_Y_mX,
|
|
579
|
+
Rot_mZ_Y_X,
|
|
580
|
+
Rot_X_mY_mZ,
|
|
581
|
+
Rot_X_mY_Z,
|
|
582
|
+
Rot_X_mZ_mY,
|
|
583
|
+
Rot_X_mZ_Y,
|
|
584
|
+
Rot_X_XmY_mZ,
|
|
585
|
+
Rot_X_XmY_Z,
|
|
586
|
+
Rot_X_Y_mZ,
|
|
587
|
+
Rot_X_Y_Z,
|
|
588
|
+
Rot_X_Z_mY,
|
|
589
|
+
Rot_X_Z_Y,
|
|
590
|
+
Rot_XmY_mY_mZ,
|
|
591
|
+
Rot_XmY_mY_Z,
|
|
592
|
+
Rot_XmY_X_mZ,
|
|
593
|
+
Rot_XmY_X_Z,
|
|
594
|
+
Rot_Y_mX_mZ,
|
|
595
|
+
Rot_Y_mX_Z,
|
|
596
|
+
Rot_Y_mXY_mZ,
|
|
597
|
+
Rot_Y_mXY_Z,
|
|
598
|
+
Rot_Y_mZ_mX,
|
|
599
|
+
Rot_Y_mZ_X,
|
|
600
|
+
Rot_Y_X_mZ,
|
|
601
|
+
Rot_Y_X_Z,
|
|
602
|
+
Rot_Y_Z_mX,
|
|
603
|
+
Rot_Y_Z_X,
|
|
604
|
+
Rot_Z_mX_mY,
|
|
605
|
+
Rot_Z_mX_Y,
|
|
606
|
+
Rot_Z_mY_mX,
|
|
607
|
+
Rot_Z_mY_X,
|
|
608
|
+
Rot_Z_X_mY,
|
|
609
|
+
Rot_Z_X_Y,
|
|
610
|
+
Rot_Z_Y_mX,
|
|
611
|
+
Rot_Z_Y_X,
|
|
612
|
+
SpaceGroup,
|
|
613
|
+
SymOp,
|
|
614
|
+
Tr_0_0_0,
|
|
615
|
+
Tr_0_0_12,
|
|
616
|
+
Tr_0_0_13,
|
|
617
|
+
Tr_0_0_14,
|
|
618
|
+
Tr_0_0_16,
|
|
619
|
+
Tr_0_0_23,
|
|
620
|
+
Tr_0_0_34,
|
|
621
|
+
Tr_0_0_56,
|
|
622
|
+
Tr_0_12_0,
|
|
623
|
+
Tr_0_12_12,
|
|
624
|
+
Tr_0_12_14,
|
|
625
|
+
Tr_0_12_34,
|
|
626
|
+
Tr_12_0_0,
|
|
627
|
+
Tr_12_0_12,
|
|
628
|
+
Tr_12_0_14,
|
|
629
|
+
Tr_12_0_34,
|
|
630
|
+
Tr_12_12_0,
|
|
631
|
+
Tr_12_12_12,
|
|
632
|
+
Tr_12_12_14,
|
|
633
|
+
Tr_12_12_34,
|
|
634
|
+
Tr_13_23_16,
|
|
635
|
+
Tr_13_23_23,
|
|
636
|
+
Tr_14_14_14,
|
|
637
|
+
Tr_14_14_34,
|
|
638
|
+
Tr_14_34_14,
|
|
639
|
+
Tr_14_34_34,
|
|
640
|
+
Tr_23_13_13,
|
|
641
|
+
Tr_23_13_56,
|
|
642
|
+
Tr_34_14_14,
|
|
643
|
+
Tr_34_14_34,
|
|
644
|
+
Tr_34_34_14,
|
|
645
|
+
Tr_34_34_34,
|
|
646
|
+
)
|
|
647
|
+
|
|
648
|
+
# Import SpaceGroup objects --------------------------------------------------
|
|
649
|
+
|
|
650
|
+
|
|
651
|
+
SpaceGroupList = mmLibSpaceGroupList + sgtbxSpaceGroupList
|
|
652
|
+
|
|
653
|
+
|
|
654
|
+
def GetSpaceGroup(sgid):
|
|
655
|
+
"""Returns the SpaceGroup instance for the given identifier.
|
|
656
|
+
|
|
657
|
+
Parameters
|
|
658
|
+
----------
|
|
659
|
+
sgid : str, int
|
|
660
|
+
space group symbol, either `short_name` or `pdb_name`,
|
|
661
|
+
whatever it means in mmlib. Can be also an integer.
|
|
662
|
+
|
|
663
|
+
Returns
|
|
664
|
+
-------
|
|
665
|
+
SpaceGroup
|
|
666
|
+
The SpaceGroup object for the given identifier.
|
|
667
|
+
|
|
668
|
+
Raises
|
|
669
|
+
------
|
|
670
|
+
ValueError
|
|
671
|
+
When the identifier is not found.
|
|
672
|
+
"""
|
|
673
|
+
if not _sg_lookup_table:
|
|
674
|
+
_buildSGLookupTable()
|
|
675
|
+
if sgid in _sg_lookup_table:
|
|
676
|
+
return _sg_lookup_table[sgid]
|
|
677
|
+
# Try different versions of sgid, first make sure it is a string
|
|
678
|
+
emsg = "Unknown space group identifier %r" % sgid
|
|
679
|
+
if not isinstance(sgid, str):
|
|
680
|
+
raise ValueError(emsg)
|
|
681
|
+
sgbare = sgid.strip()
|
|
682
|
+
# short_name case adjusted
|
|
683
|
+
sgkey = sgbare.replace(" ", "")
|
|
684
|
+
sgkey = sgkey[:1].upper() + sgkey[1:].lower()
|
|
685
|
+
if sgkey in _sg_lookup_table:
|
|
686
|
+
return _sg_lookup_table[sgkey]
|
|
687
|
+
# pdb_name case adjusted
|
|
688
|
+
sgkey = sgbare[:1].upper() + sgbare[1:].lower()
|
|
689
|
+
if sgkey in _sg_lookup_table:
|
|
690
|
+
return _sg_lookup_table[sgkey]
|
|
691
|
+
# nothing worked, sgid is unknown identifier
|
|
692
|
+
raise ValueError(emsg)
|
|
693
|
+
|
|
694
|
+
|
|
695
|
+
def IsSpaceGroupIdentifier(sgid):
|
|
696
|
+
"""Check if identifier can be used as an argument to `GetSpaceGroup`.
|
|
697
|
+
|
|
698
|
+
Returns
|
|
699
|
+
-------
|
|
700
|
+
bool
|
|
701
|
+
"""
|
|
702
|
+
try:
|
|
703
|
+
GetSpaceGroup(sgid)
|
|
704
|
+
rv = True
|
|
705
|
+
except ValueError:
|
|
706
|
+
rv = False
|
|
707
|
+
return rv
|
|
708
|
+
|
|
709
|
+
|
|
710
|
+
def FindSpaceGroup(symops, shuffle=False):
|
|
711
|
+
"""Lookup SpaceGroup from a given list of symmetry operations.
|
|
712
|
+
|
|
713
|
+
Parameters
|
|
714
|
+
----------
|
|
715
|
+
symops : list
|
|
716
|
+
The list of `SymOp` objects for which to find SpaceGroup.
|
|
717
|
+
shuffle : bool, Optional
|
|
718
|
+
Flag for allowing different order of symops in the returned
|
|
719
|
+
SpaceGroup. The default is ``False``.
|
|
720
|
+
|
|
721
|
+
Returns
|
|
722
|
+
-------
|
|
723
|
+
SpaceGroup
|
|
724
|
+
The SpaceGroup object with equivalent list of symmetry
|
|
725
|
+
operations. Return predefined SpaceGroup instance when
|
|
726
|
+
symmetry operations have the same order or when the
|
|
727
|
+
`shuffle` flag is set.
|
|
728
|
+
|
|
729
|
+
Raises
|
|
730
|
+
------
|
|
731
|
+
ValueError
|
|
732
|
+
When `symops` do not match any known SpaceGroup.
|
|
733
|
+
"""
|
|
734
|
+
|
|
735
|
+
tb = _getSGHashLookupTable()
|
|
736
|
+
hh = _hashSymOpList(symops)
|
|
737
|
+
if hh not in tb:
|
|
738
|
+
raise ValueError("Cannot find SpaceGroup for the specified symops.")
|
|
739
|
+
rv = tb[hh]
|
|
740
|
+
if not shuffle:
|
|
741
|
+
zz = zip_longest(rv.iter_symops(), symops, fillvalue="")
|
|
742
|
+
sameorder = all(str(o0) == str(o1) for o0, o1 in zz)
|
|
743
|
+
if not sameorder:
|
|
744
|
+
rv = copy.copy(rv)
|
|
745
|
+
rv.symop_list = symops
|
|
746
|
+
return rv
|
|
747
|
+
|
|
748
|
+
|
|
749
|
+
def _hashSymOpList(symops):
|
|
750
|
+
"""Return hash value for a sequence of `SymOp` objects.
|
|
751
|
+
|
|
752
|
+
The symops are sorted so the results is independent of symops order.
|
|
753
|
+
|
|
754
|
+
Parameters
|
|
755
|
+
----------
|
|
756
|
+
symops : sequence
|
|
757
|
+
The sequence of `SymOp` objects to be hashed
|
|
758
|
+
|
|
759
|
+
Returns
|
|
760
|
+
-------
|
|
761
|
+
int
|
|
762
|
+
The hash value.
|
|
763
|
+
"""
|
|
764
|
+
ssop = sorted(str(o) for o in symops)
|
|
765
|
+
rv = hash(tuple(ssop))
|
|
766
|
+
return rv
|
|
767
|
+
|
|
768
|
+
|
|
769
|
+
def _buildSGLookupTable():
|
|
770
|
+
"""Rebuild space group lookup table from the `SpaceGroupList` data.
|
|
771
|
+
This routine updates the global `_sg_lookup_table` dictionary.
|
|
772
|
+
"""
|
|
773
|
+
_sg_lookup_table.clear()
|
|
774
|
+
for sg in SpaceGroupList:
|
|
775
|
+
_sg_lookup_table.setdefault(sg.number, sg)
|
|
776
|
+
_sg_lookup_table.setdefault(str(sg.number), sg)
|
|
777
|
+
_sg_lookup_table.setdefault(sg.short_name, sg)
|
|
778
|
+
_sg_lookup_table.setdefault(sg.pdb_name, sg)
|
|
779
|
+
# extra aliases obtained from matching code in
|
|
780
|
+
# cctbx::sgtbx::symbols::find_main_symbol_dict_entry
|
|
781
|
+
alias_hmname = [
|
|
782
|
+
("Pm3", "P m -3"),
|
|
783
|
+
("Pn3", "P n -3"),
|
|
784
|
+
("Fm3", "F m -3"),
|
|
785
|
+
("Fd3", "F d -3"),
|
|
786
|
+
("Im3", "I m -3"),
|
|
787
|
+
("Pa3", "P a -3"),
|
|
788
|
+
("Ia3", "I a -3"),
|
|
789
|
+
("Pm3m", "P m -3 m"),
|
|
790
|
+
("Pn3n", "P n -3 n"),
|
|
791
|
+
("Pm3n", "P m -3 n"),
|
|
792
|
+
("Pn3m", "P n -3 m"),
|
|
793
|
+
("Fm3m", "F m -3 m"),
|
|
794
|
+
("Fm3c", "F m -3 c"),
|
|
795
|
+
("Fd3m", "F d -3 m"),
|
|
796
|
+
("Fd3c", "F d -3 c"),
|
|
797
|
+
("Im3m", "I m -3 m"),
|
|
798
|
+
("Ia3d", "I a -3 d"),
|
|
799
|
+
]
|
|
800
|
+
for a, hm in alias_hmname:
|
|
801
|
+
hmbare = hm.replace(" ", "")
|
|
802
|
+
_sg_lookup_table.setdefault(a, _sg_lookup_table[hmbare])
|
|
803
|
+
# make sure None does not sneak into the dictionary
|
|
804
|
+
assert None not in _sg_lookup_table
|
|
805
|
+
return
|
|
806
|
+
|
|
807
|
+
|
|
808
|
+
_sg_lookup_table = {}
|
|
809
|
+
|
|
810
|
+
|
|
811
|
+
def _getSGHashLookupTable():
|
|
812
|
+
"""Return lookup table of symop hashes to standard `SpaceGroup` objects."""
|
|
813
|
+
if _sg_hash_lookup_table:
|
|
814
|
+
return _sg_hash_lookup_table
|
|
815
|
+
for sg in SpaceGroupList:
|
|
816
|
+
h = _hashSymOpList(sg.symop_list)
|
|
817
|
+
_sg_hash_lookup_table[h] = sg
|
|
818
|
+
assert len(_sg_hash_lookup_table) == len(SpaceGroupList)
|
|
819
|
+
return _getSGHashLookupTable()
|
|
820
|
+
|
|
821
|
+
|
|
822
|
+
_sg_hash_lookup_table = {}
|
|
823
|
+
|
|
824
|
+
# silence pyflakes checker
|
|
825
|
+
assert all(
|
|
826
|
+
o is not None
|
|
827
|
+
for o in (
|
|
828
|
+
SpaceGroup,
|
|
829
|
+
SymOp,
|
|
830
|
+
Rot_X_Y_Z,
|
|
831
|
+
Rot_mX_mY_mZ,
|
|
832
|
+
Rot_mX_Y_mZ,
|
|
833
|
+
Rot_X_mY_Z,
|
|
834
|
+
Rot_mX_mY_Z,
|
|
835
|
+
Rot_X_mY_mZ,
|
|
836
|
+
Rot_mX_Y_Z,
|
|
837
|
+
Rot_X_Y_mZ,
|
|
838
|
+
Rot_mY_X_Z,
|
|
839
|
+
Rot_Y_mX_Z,
|
|
840
|
+
Rot_Y_mX_mZ,
|
|
841
|
+
Rot_mY_X_mZ,
|
|
842
|
+
Rot_Y_X_mZ,
|
|
843
|
+
Rot_mY_mX_mZ,
|
|
844
|
+
Rot_mY_mX_Z,
|
|
845
|
+
Rot_Y_X_Z,
|
|
846
|
+
Rot_mY_XmY_Z,
|
|
847
|
+
Rot_mXY_mX_Z,
|
|
848
|
+
Rot_Z_X_Y,
|
|
849
|
+
Rot_Y_Z_X,
|
|
850
|
+
Rot_Y_mXY_mZ,
|
|
851
|
+
Rot_XmY_X_mZ,
|
|
852
|
+
Rot_mZ_mX_mY,
|
|
853
|
+
Rot_mY_mZ_mX,
|
|
854
|
+
Rot_mXY_Y_mZ,
|
|
855
|
+
Rot_X_XmY_mZ,
|
|
856
|
+
Rot_XmY_mY_mZ,
|
|
857
|
+
Rot_mX_mXY_mZ,
|
|
858
|
+
Rot_mX_mZ_mY,
|
|
859
|
+
Rot_mZ_mY_mX,
|
|
860
|
+
Rot_mXY_Y_Z,
|
|
861
|
+
Rot_X_XmY_Z,
|
|
862
|
+
Rot_XmY_mY_Z,
|
|
863
|
+
Rot_mX_mXY_Z,
|
|
864
|
+
Rot_X_Z_Y,
|
|
865
|
+
Rot_Z_Y_X,
|
|
866
|
+
Rot_Y_mXY_Z,
|
|
867
|
+
Rot_XmY_X_Z,
|
|
868
|
+
Rot_mY_XmY_mZ,
|
|
869
|
+
Rot_mXY_mX_mZ,
|
|
870
|
+
Rot_Z_mX_mY,
|
|
871
|
+
Rot_mZ_mX_Y,
|
|
872
|
+
Rot_mZ_X_mY,
|
|
873
|
+
Rot_mY_Z_mX,
|
|
874
|
+
Rot_Y_mZ_mX,
|
|
875
|
+
Rot_mY_mZ_X,
|
|
876
|
+
Rot_mZ_X_Y,
|
|
877
|
+
Rot_Z_X_mY,
|
|
878
|
+
Rot_Z_mX_Y,
|
|
879
|
+
Rot_Y_mZ_X,
|
|
880
|
+
Rot_mY_Z_X,
|
|
881
|
+
Rot_Y_Z_mX,
|
|
882
|
+
Rot_X_Z_mY,
|
|
883
|
+
Rot_mX_Z_Y,
|
|
884
|
+
Rot_X_mZ_Y,
|
|
885
|
+
Rot_Z_Y_mX,
|
|
886
|
+
Rot_Z_mY_X,
|
|
887
|
+
Rot_mZ_Y_X,
|
|
888
|
+
Rot_mX_Z_mY,
|
|
889
|
+
Rot_mX_mZ_Y,
|
|
890
|
+
Rot_X_mZ_mY,
|
|
891
|
+
Rot_Z_mY_mX,
|
|
892
|
+
Rot_mZ_Y_mX,
|
|
893
|
+
Rot_mZ_mY_X,
|
|
894
|
+
Tr_0_0_0,
|
|
895
|
+
Tr_0_12_0,
|
|
896
|
+
Tr_12_12_0,
|
|
897
|
+
Tr_0_0_12,
|
|
898
|
+
Tr_12_12_12,
|
|
899
|
+
Tr_0_12_12,
|
|
900
|
+
Tr_12_0_12,
|
|
901
|
+
Tr_12_0_0,
|
|
902
|
+
Tr_14_14_14,
|
|
903
|
+
Tr_14_34_34,
|
|
904
|
+
Tr_34_14_34,
|
|
905
|
+
Tr_34_34_14,
|
|
906
|
+
Tr_0_0_14,
|
|
907
|
+
Tr_0_0_34,
|
|
908
|
+
Tr_0_12_14,
|
|
909
|
+
Tr_12_0_34,
|
|
910
|
+
Tr_12_12_14,
|
|
911
|
+
Tr_12_12_34,
|
|
912
|
+
Tr_0_12_34,
|
|
913
|
+
Tr_12_0_14,
|
|
914
|
+
Tr_0_0_13,
|
|
915
|
+
Tr_0_0_23,
|
|
916
|
+
Tr_23_13_13,
|
|
917
|
+
Tr_13_23_23,
|
|
918
|
+
Tr_23_13_56,
|
|
919
|
+
Tr_13_23_16,
|
|
920
|
+
Tr_0_0_56,
|
|
921
|
+
Tr_0_0_16,
|
|
922
|
+
Tr_34_14_14,
|
|
923
|
+
Tr_34_34_34,
|
|
924
|
+
Tr_14_14_34,
|
|
925
|
+
Tr_14_34_14,
|
|
926
|
+
sg1,
|
|
927
|
+
sg2,
|
|
928
|
+
sg3,
|
|
929
|
+
sg4,
|
|
930
|
+
sg5,
|
|
931
|
+
sg6,
|
|
932
|
+
sg7,
|
|
933
|
+
sg8,
|
|
934
|
+
sg9,
|
|
935
|
+
sg10,
|
|
936
|
+
sg11,
|
|
937
|
+
sg12,
|
|
938
|
+
sg13,
|
|
939
|
+
sg14,
|
|
940
|
+
sg15,
|
|
941
|
+
sg16,
|
|
942
|
+
sg17,
|
|
943
|
+
sg18,
|
|
944
|
+
sg19,
|
|
945
|
+
sg20,
|
|
946
|
+
sg21,
|
|
947
|
+
sg22,
|
|
948
|
+
sg23,
|
|
949
|
+
sg24,
|
|
950
|
+
sg25,
|
|
951
|
+
sg26,
|
|
952
|
+
sg27,
|
|
953
|
+
sg28,
|
|
954
|
+
sg29,
|
|
955
|
+
sg30,
|
|
956
|
+
sg31,
|
|
957
|
+
sg32,
|
|
958
|
+
sg33,
|
|
959
|
+
sg34,
|
|
960
|
+
sg35,
|
|
961
|
+
sg36,
|
|
962
|
+
sg37,
|
|
963
|
+
sg38,
|
|
964
|
+
sg39,
|
|
965
|
+
sg40,
|
|
966
|
+
sg41,
|
|
967
|
+
sg42,
|
|
968
|
+
sg43,
|
|
969
|
+
sg44,
|
|
970
|
+
sg45,
|
|
971
|
+
sg46,
|
|
972
|
+
sg47,
|
|
973
|
+
sg48,
|
|
974
|
+
sg49,
|
|
975
|
+
sg50,
|
|
976
|
+
sg51,
|
|
977
|
+
sg52,
|
|
978
|
+
sg53,
|
|
979
|
+
sg54,
|
|
980
|
+
sg55,
|
|
981
|
+
sg56,
|
|
982
|
+
sg57,
|
|
983
|
+
sg58,
|
|
984
|
+
sg59,
|
|
985
|
+
sg60,
|
|
986
|
+
sg61,
|
|
987
|
+
sg62,
|
|
988
|
+
sg63,
|
|
989
|
+
sg64,
|
|
990
|
+
sg65,
|
|
991
|
+
sg66,
|
|
992
|
+
sg67,
|
|
993
|
+
sg68,
|
|
994
|
+
sg69,
|
|
995
|
+
sg70,
|
|
996
|
+
sg71,
|
|
997
|
+
sg72,
|
|
998
|
+
sg73,
|
|
999
|
+
sg74,
|
|
1000
|
+
sg75,
|
|
1001
|
+
sg76,
|
|
1002
|
+
sg77,
|
|
1003
|
+
sg78,
|
|
1004
|
+
sg79,
|
|
1005
|
+
sg80,
|
|
1006
|
+
sg81,
|
|
1007
|
+
sg82,
|
|
1008
|
+
sg83,
|
|
1009
|
+
sg84,
|
|
1010
|
+
sg85,
|
|
1011
|
+
sg86,
|
|
1012
|
+
sg87,
|
|
1013
|
+
sg88,
|
|
1014
|
+
sg89,
|
|
1015
|
+
sg90,
|
|
1016
|
+
sg91,
|
|
1017
|
+
sg92,
|
|
1018
|
+
sg93,
|
|
1019
|
+
sg94,
|
|
1020
|
+
sg95,
|
|
1021
|
+
sg96,
|
|
1022
|
+
sg97,
|
|
1023
|
+
sg98,
|
|
1024
|
+
sg99,
|
|
1025
|
+
sg100,
|
|
1026
|
+
sg101,
|
|
1027
|
+
sg102,
|
|
1028
|
+
sg103,
|
|
1029
|
+
sg104,
|
|
1030
|
+
sg105,
|
|
1031
|
+
sg106,
|
|
1032
|
+
sg107,
|
|
1033
|
+
sg108,
|
|
1034
|
+
sg109,
|
|
1035
|
+
sg110,
|
|
1036
|
+
sg111,
|
|
1037
|
+
sg112,
|
|
1038
|
+
sg113,
|
|
1039
|
+
sg114,
|
|
1040
|
+
sg115,
|
|
1041
|
+
sg116,
|
|
1042
|
+
sg117,
|
|
1043
|
+
sg118,
|
|
1044
|
+
sg119,
|
|
1045
|
+
sg120,
|
|
1046
|
+
sg121,
|
|
1047
|
+
sg122,
|
|
1048
|
+
sg123,
|
|
1049
|
+
sg124,
|
|
1050
|
+
sg125,
|
|
1051
|
+
sg126,
|
|
1052
|
+
sg127,
|
|
1053
|
+
sg128,
|
|
1054
|
+
sg129,
|
|
1055
|
+
sg130,
|
|
1056
|
+
sg131,
|
|
1057
|
+
sg132,
|
|
1058
|
+
sg133,
|
|
1059
|
+
sg134,
|
|
1060
|
+
sg135,
|
|
1061
|
+
sg136,
|
|
1062
|
+
sg137,
|
|
1063
|
+
sg138,
|
|
1064
|
+
sg139,
|
|
1065
|
+
sg140,
|
|
1066
|
+
sg141,
|
|
1067
|
+
sg142,
|
|
1068
|
+
sg143,
|
|
1069
|
+
sg144,
|
|
1070
|
+
sg145,
|
|
1071
|
+
sg146,
|
|
1072
|
+
sg1146,
|
|
1073
|
+
sg147,
|
|
1074
|
+
sg148,
|
|
1075
|
+
sg1148,
|
|
1076
|
+
sg149,
|
|
1077
|
+
sg150,
|
|
1078
|
+
sg151,
|
|
1079
|
+
sg152,
|
|
1080
|
+
sg153,
|
|
1081
|
+
sg154,
|
|
1082
|
+
sg155,
|
|
1083
|
+
sg1155,
|
|
1084
|
+
sg156,
|
|
1085
|
+
sg157,
|
|
1086
|
+
sg158,
|
|
1087
|
+
sg159,
|
|
1088
|
+
sg160,
|
|
1089
|
+
sg1160,
|
|
1090
|
+
sg161,
|
|
1091
|
+
sg1161,
|
|
1092
|
+
sg162,
|
|
1093
|
+
sg163,
|
|
1094
|
+
sg164,
|
|
1095
|
+
sg165,
|
|
1096
|
+
sg166,
|
|
1097
|
+
sg1166,
|
|
1098
|
+
sg167,
|
|
1099
|
+
sg1167,
|
|
1100
|
+
sg168,
|
|
1101
|
+
sg169,
|
|
1102
|
+
sg170,
|
|
1103
|
+
sg171,
|
|
1104
|
+
sg172,
|
|
1105
|
+
sg173,
|
|
1106
|
+
sg174,
|
|
1107
|
+
sg175,
|
|
1108
|
+
sg176,
|
|
1109
|
+
sg177,
|
|
1110
|
+
sg178,
|
|
1111
|
+
sg179,
|
|
1112
|
+
sg180,
|
|
1113
|
+
sg181,
|
|
1114
|
+
sg182,
|
|
1115
|
+
sg183,
|
|
1116
|
+
sg184,
|
|
1117
|
+
sg185,
|
|
1118
|
+
sg186,
|
|
1119
|
+
sg187,
|
|
1120
|
+
sg188,
|
|
1121
|
+
sg189,
|
|
1122
|
+
sg190,
|
|
1123
|
+
sg191,
|
|
1124
|
+
sg192,
|
|
1125
|
+
sg193,
|
|
1126
|
+
sg194,
|
|
1127
|
+
sg195,
|
|
1128
|
+
sg196,
|
|
1129
|
+
sg197,
|
|
1130
|
+
sg198,
|
|
1131
|
+
sg199,
|
|
1132
|
+
sg200,
|
|
1133
|
+
sg201,
|
|
1134
|
+
sg202,
|
|
1135
|
+
sg203,
|
|
1136
|
+
sg204,
|
|
1137
|
+
sg205,
|
|
1138
|
+
sg206,
|
|
1139
|
+
sg207,
|
|
1140
|
+
sg208,
|
|
1141
|
+
sg209,
|
|
1142
|
+
sg210,
|
|
1143
|
+
sg211,
|
|
1144
|
+
sg212,
|
|
1145
|
+
sg213,
|
|
1146
|
+
sg214,
|
|
1147
|
+
sg215,
|
|
1148
|
+
sg216,
|
|
1149
|
+
sg217,
|
|
1150
|
+
sg218,
|
|
1151
|
+
sg219,
|
|
1152
|
+
sg220,
|
|
1153
|
+
sg221,
|
|
1154
|
+
sg222,
|
|
1155
|
+
sg223,
|
|
1156
|
+
sg224,
|
|
1157
|
+
sg225,
|
|
1158
|
+
sg226,
|
|
1159
|
+
sg227,
|
|
1160
|
+
sg228,
|
|
1161
|
+
sg229,
|
|
1162
|
+
sg230,
|
|
1163
|
+
sg1003,
|
|
1164
|
+
sg1004,
|
|
1165
|
+
sg3004,
|
|
1166
|
+
sg1005,
|
|
1167
|
+
sg2005,
|
|
1168
|
+
sg3005,
|
|
1169
|
+
sg1006,
|
|
1170
|
+
sg1007,
|
|
1171
|
+
sg1008,
|
|
1172
|
+
sg1009,
|
|
1173
|
+
sg1010,
|
|
1174
|
+
sg1011,
|
|
1175
|
+
sg1012,
|
|
1176
|
+
sg1013,
|
|
1177
|
+
sg1014,
|
|
1178
|
+
sg1015,
|
|
1179
|
+
sg1017,
|
|
1180
|
+
sg2017,
|
|
1181
|
+
sg1018,
|
|
1182
|
+
sg2018,
|
|
1183
|
+
sg3018,
|
|
1184
|
+
sg1020,
|
|
1185
|
+
sg1021,
|
|
1186
|
+
sg1022,
|
|
1187
|
+
sg1023,
|
|
1188
|
+
sg1059,
|
|
1189
|
+
sg1094,
|
|
1190
|
+
sg1197,
|
|
1191
|
+
sg2003,
|
|
1192
|
+
sg2004,
|
|
1193
|
+
sg4005,
|
|
1194
|
+
sg5005,
|
|
1195
|
+
sg6005,
|
|
1196
|
+
sg7005,
|
|
1197
|
+
sg8005,
|
|
1198
|
+
sg9005,
|
|
1199
|
+
sg10005,
|
|
1200
|
+
sg2006,
|
|
1201
|
+
sg2007,
|
|
1202
|
+
sg3007,
|
|
1203
|
+
sg4007,
|
|
1204
|
+
sg5007,
|
|
1205
|
+
sg6007,
|
|
1206
|
+
sg7007,
|
|
1207
|
+
sg8007,
|
|
1208
|
+
sg2008,
|
|
1209
|
+
sg3008,
|
|
1210
|
+
sg4008,
|
|
1211
|
+
sg5008,
|
|
1212
|
+
sg6008,
|
|
1213
|
+
sg7008,
|
|
1214
|
+
sg8008,
|
|
1215
|
+
sg2009,
|
|
1216
|
+
sg3009,
|
|
1217
|
+
sg4009,
|
|
1218
|
+
sg5009,
|
|
1219
|
+
sg6009,
|
|
1220
|
+
sg7009,
|
|
1221
|
+
sg8009,
|
|
1222
|
+
sg9009,
|
|
1223
|
+
sg10009,
|
|
1224
|
+
sg11009,
|
|
1225
|
+
sg12009,
|
|
1226
|
+
sg13009,
|
|
1227
|
+
sg14009,
|
|
1228
|
+
sg15009,
|
|
1229
|
+
sg16009,
|
|
1230
|
+
sg17009,
|
|
1231
|
+
sg2010,
|
|
1232
|
+
sg2011,
|
|
1233
|
+
sg2012,
|
|
1234
|
+
sg3012,
|
|
1235
|
+
sg4012,
|
|
1236
|
+
sg5012,
|
|
1237
|
+
sg6012,
|
|
1238
|
+
sg7012,
|
|
1239
|
+
sg8012,
|
|
1240
|
+
sg2013,
|
|
1241
|
+
sg3013,
|
|
1242
|
+
sg4013,
|
|
1243
|
+
sg5013,
|
|
1244
|
+
sg6013,
|
|
1245
|
+
sg7013,
|
|
1246
|
+
sg8013,
|
|
1247
|
+
sg2014,
|
|
1248
|
+
sg3014,
|
|
1249
|
+
sg4014,
|
|
1250
|
+
sg5014,
|
|
1251
|
+
sg6014,
|
|
1252
|
+
sg7014,
|
|
1253
|
+
sg8014,
|
|
1254
|
+
sg2015,
|
|
1255
|
+
sg3015,
|
|
1256
|
+
sg4015,
|
|
1257
|
+
sg5015,
|
|
1258
|
+
sg6015,
|
|
1259
|
+
sg7015,
|
|
1260
|
+
sg8015,
|
|
1261
|
+
sg9015,
|
|
1262
|
+
sg10015,
|
|
1263
|
+
sg11015,
|
|
1264
|
+
sg12015,
|
|
1265
|
+
sg13015,
|
|
1266
|
+
sg14015,
|
|
1267
|
+
sg15015,
|
|
1268
|
+
sg16015,
|
|
1269
|
+
sg17015,
|
|
1270
|
+
sg2020,
|
|
1271
|
+
sg3020,
|
|
1272
|
+
sg2021,
|
|
1273
|
+
sg3021,
|
|
1274
|
+
sg1025,
|
|
1275
|
+
sg2025,
|
|
1276
|
+
sg1026,
|
|
1277
|
+
sg2026,
|
|
1278
|
+
sg3026,
|
|
1279
|
+
sg4026,
|
|
1280
|
+
sg5026,
|
|
1281
|
+
sg1027,
|
|
1282
|
+
sg2027,
|
|
1283
|
+
sg1028,
|
|
1284
|
+
sg2028,
|
|
1285
|
+
sg3028,
|
|
1286
|
+
sg4028,
|
|
1287
|
+
sg5028,
|
|
1288
|
+
sg1029,
|
|
1289
|
+
sg2029,
|
|
1290
|
+
sg3029,
|
|
1291
|
+
sg4029,
|
|
1292
|
+
sg5029,
|
|
1293
|
+
sg1030,
|
|
1294
|
+
sg2030,
|
|
1295
|
+
sg3030,
|
|
1296
|
+
sg4030,
|
|
1297
|
+
sg5030,
|
|
1298
|
+
sg1031,
|
|
1299
|
+
sg2031,
|
|
1300
|
+
sg3031,
|
|
1301
|
+
sg4031,
|
|
1302
|
+
sg5031,
|
|
1303
|
+
sg1032,
|
|
1304
|
+
sg2032,
|
|
1305
|
+
sg1033,
|
|
1306
|
+
sg2033,
|
|
1307
|
+
sg3033,
|
|
1308
|
+
sg4033,
|
|
1309
|
+
sg5033,
|
|
1310
|
+
sg1034,
|
|
1311
|
+
sg2034,
|
|
1312
|
+
sg1035,
|
|
1313
|
+
sg2035,
|
|
1314
|
+
sg1036,
|
|
1315
|
+
sg2036,
|
|
1316
|
+
sg3036,
|
|
1317
|
+
sg4036,
|
|
1318
|
+
sg5036,
|
|
1319
|
+
sg1037,
|
|
1320
|
+
sg2037,
|
|
1321
|
+
sg1038,
|
|
1322
|
+
sg2038,
|
|
1323
|
+
sg3038,
|
|
1324
|
+
sg4038,
|
|
1325
|
+
sg5038,
|
|
1326
|
+
sg1039,
|
|
1327
|
+
sg2039,
|
|
1328
|
+
sg3039,
|
|
1329
|
+
sg4039,
|
|
1330
|
+
sg5039,
|
|
1331
|
+
sg1040,
|
|
1332
|
+
sg2040,
|
|
1333
|
+
sg3040,
|
|
1334
|
+
sg4040,
|
|
1335
|
+
sg5040,
|
|
1336
|
+
sg1041,
|
|
1337
|
+
sg2041,
|
|
1338
|
+
sg3041,
|
|
1339
|
+
sg4041,
|
|
1340
|
+
sg5041,
|
|
1341
|
+
sg1042,
|
|
1342
|
+
sg2042,
|
|
1343
|
+
sg1043,
|
|
1344
|
+
sg2043,
|
|
1345
|
+
sg1044,
|
|
1346
|
+
sg2044,
|
|
1347
|
+
sg1045,
|
|
1348
|
+
sg2045,
|
|
1349
|
+
sg1046,
|
|
1350
|
+
sg2046,
|
|
1351
|
+
sg3046,
|
|
1352
|
+
sg4046,
|
|
1353
|
+
sg5046,
|
|
1354
|
+
sg1049,
|
|
1355
|
+
sg2049,
|
|
1356
|
+
sg1050,
|
|
1357
|
+
sg2050,
|
|
1358
|
+
sg3050,
|
|
1359
|
+
sg4050,
|
|
1360
|
+
sg1051,
|
|
1361
|
+
sg2051,
|
|
1362
|
+
sg3051,
|
|
1363
|
+
sg4051,
|
|
1364
|
+
sg5051,
|
|
1365
|
+
sg1052,
|
|
1366
|
+
sg2052,
|
|
1367
|
+
sg3052,
|
|
1368
|
+
sg4052,
|
|
1369
|
+
sg5052,
|
|
1370
|
+
sg1053,
|
|
1371
|
+
sg2053,
|
|
1372
|
+
sg3053,
|
|
1373
|
+
sg4053,
|
|
1374
|
+
sg5053,
|
|
1375
|
+
sg1054,
|
|
1376
|
+
sg2054,
|
|
1377
|
+
sg3054,
|
|
1378
|
+
sg4054,
|
|
1379
|
+
sg5054,
|
|
1380
|
+
sg1055,
|
|
1381
|
+
sg2055,
|
|
1382
|
+
sg1056,
|
|
1383
|
+
sg2056,
|
|
1384
|
+
sg1057,
|
|
1385
|
+
sg2057,
|
|
1386
|
+
sg3057,
|
|
1387
|
+
sg4057,
|
|
1388
|
+
sg5057,
|
|
1389
|
+
sg1058,
|
|
1390
|
+
sg2058,
|
|
1391
|
+
sg2059,
|
|
1392
|
+
sg3059,
|
|
1393
|
+
sg4059,
|
|
1394
|
+
sg5059,
|
|
1395
|
+
sg1060,
|
|
1396
|
+
sg2060,
|
|
1397
|
+
sg3060,
|
|
1398
|
+
sg4060,
|
|
1399
|
+
sg5060,
|
|
1400
|
+
sg1061,
|
|
1401
|
+
sg1062,
|
|
1402
|
+
sg2062,
|
|
1403
|
+
sg3062,
|
|
1404
|
+
sg4062,
|
|
1405
|
+
sg5062,
|
|
1406
|
+
sg1063,
|
|
1407
|
+
sg2063,
|
|
1408
|
+
sg3063,
|
|
1409
|
+
sg4063,
|
|
1410
|
+
sg5063,
|
|
1411
|
+
sg1064,
|
|
1412
|
+
sg2064,
|
|
1413
|
+
sg3064,
|
|
1414
|
+
sg4064,
|
|
1415
|
+
sg5064,
|
|
1416
|
+
sg1065,
|
|
1417
|
+
sg2065,
|
|
1418
|
+
sg1066,
|
|
1419
|
+
sg2066,
|
|
1420
|
+
sg1067,
|
|
1421
|
+
sg2067,
|
|
1422
|
+
sg3067,
|
|
1423
|
+
sg4067,
|
|
1424
|
+
sg5067,
|
|
1425
|
+
sg1068,
|
|
1426
|
+
sg2068,
|
|
1427
|
+
sg3068,
|
|
1428
|
+
sg4068,
|
|
1429
|
+
sg5068,
|
|
1430
|
+
sg6068,
|
|
1431
|
+
sg7068,
|
|
1432
|
+
sg1072,
|
|
1433
|
+
sg2072,
|
|
1434
|
+
sg1073,
|
|
1435
|
+
sg1074,
|
|
1436
|
+
sg2074,
|
|
1437
|
+
sg3074,
|
|
1438
|
+
sg4074,
|
|
1439
|
+
sg5074,
|
|
1440
|
+
)
|
|
1441
|
+
)
|