de-ebsd 0.2.0__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.
Files changed (69) hide show
  1. de_ebsd/__init__.py +76 -0
  2. de_ebsd/core/__init__.py +23 -0
  3. de_ebsd/core/constants.py +81 -0
  4. de_ebsd/core/device.py +12 -0
  5. de_ebsd/core/geometry.py +67 -0
  6. de_ebsd/core/lambert.py +148 -0
  7. de_ebsd/core/rotation.py +139 -0
  8. de_ebsd/crystal/__init__.py +22 -0
  9. de_ebsd/crystal/data/__init__.py +0 -0
  10. de_ebsd/crystal/data/element_properties.py +29 -0
  11. de_ebsd/crystal/data/scattering_tables.py +414 -0
  12. de_ebsd/crystal/lattice.py +517 -0
  13. de_ebsd/crystal/scattering.py +339 -0
  14. de_ebsd/crystal/scattering_torch.py +233 -0
  15. de_ebsd/crystal/structure_factors.py +291 -0
  16. de_ebsd/diffraction/__init__.py +45 -0
  17. de_ebsd/diffraction/backends.py +318 -0
  18. de_ebsd/diffraction/bethe.py +28 -0
  19. de_ebsd/diffraction/kinematic.py +389 -0
  20. de_ebsd/diffraction/kvectors.py +120 -0
  21. de_ebsd/diffraction/prism.py +204 -0
  22. de_ebsd/diffraction/reflections.py +234 -0
  23. de_ebsd/index/__init__.py +61 -0
  24. de_ebsd/index/_kernels.py +222 -0
  25. de_ebsd/index/backproject.py +171 -0
  26. de_ebsd/index/crosscorr.py +654 -0
  27. de_ebsd/index/dictionary.py +362 -0
  28. de_ebsd/index/io.py +324 -0
  29. de_ebsd/index/live/__init__.py +5 -0
  30. de_ebsd/index/live/background.py +103 -0
  31. de_ebsd/index/live/calibration.py +70 -0
  32. de_ebsd/index/live/common.py +44 -0
  33. de_ebsd/index/live/deformation.py +289 -0
  34. de_ebsd/index/live/indexer.py +386 -0
  35. de_ebsd/index/preprocess.py +195 -0
  36. de_ebsd/index/refine/__init__.py +7 -0
  37. de_ebsd/index/refine/highres.py +479 -0
  38. de_ebsd/index/refine/levenberg.py +33 -0
  39. de_ebsd/index/refine/orientation.py +367 -0
  40. de_ebsd/index/refine/pattern_center.py +356 -0
  41. de_ebsd/index/spherical/__init__.py +41 -0
  42. de_ebsd/index/spherical/correlation.py +106 -0
  43. de_ebsd/index/spherical/harmonics.py +311 -0
  44. de_ebsd/index/spherical/indexer.py +345 -0
  45. de_ebsd/index/spherical/wigner.py +190 -0
  46. de_ebsd/sim/__init__.py +20 -0
  47. de_ebsd/sim/detector.py +145 -0
  48. de_ebsd/sim/masterpattern.py +231 -0
  49. de_ebsd/sim/microscope.py +93 -0
  50. de_ebsd/sim/montecarlo/__init__.py +19 -0
  51. de_ebsd/sim/montecarlo/depth.py +167 -0
  52. de_ebsd/sim/montecarlo/transport.py +532 -0
  53. de_ebsd/sim/simulator.py +291 -0
  54. de_ebsd/viz/__init__.py +53 -0
  55. de_ebsd/viz/camera.py +56 -0
  56. de_ebsd/viz/depth_widget.js +76 -0
  57. de_ebsd/viz/explorer.py +647 -0
  58. de_ebsd/viz/figures.py +67 -0
  59. de_ebsd/viz/maps.py +277 -0
  60. de_ebsd/viz/patterns.py +164 -0
  61. de_ebsd/viz/setup_widget.js +171 -0
  62. de_ebsd/viz/views.py +125 -0
  63. de_ebsd/viz/widgets.py +191 -0
  64. de_ebsd-0.2.0.dist-info/METADATA +251 -0
  65. de_ebsd-0.2.0.dist-info/RECORD +69 -0
  66. de_ebsd-0.2.0.dist-info/WHEEL +5 -0
  67. de_ebsd-0.2.0.dist-info/licenses/LICENSE +674 -0
  68. de_ebsd-0.2.0.dist-info/licenses/NOTICE +44 -0
  69. de_ebsd-0.2.0.dist-info/top_level.txt +1 -0
de_ebsd/crystal/data/scattering_tables.py ADDED
@@ -0,0 +1,414 @@
1
+ """Atomic scattering-factor coefficient tables (auto-generated).
2
+
3
+ Extracted verbatim from EMsoft (EMsoftOO) Fortran sources:
4
+ - WK_A, WK_B: Weickenmeier-Kohl 4-Gaussian coefficients, from
5
+ mod_others.f90 GETWK subroutine (AA(4,98), BB(4,98)).
6
+ - DT: Doyle-Turner/Smith-Burge 4-Gaussian (a1..a4,b1..b4) from
7
+ mod_diffraction.f90 scatfac(8,98).
8
+ Row index i corresponds to atomic number Z = i + 1 (Z in 1..98).
9
+ Do not edit by hand; regenerate with scripts/extract_tables.py.
10
+ """
11
+
12
+ ELEMENT_SYMBOLS = [
13
+ "H",
14
+ "He",
15
+ "Li",
16
+ "Be",
17
+ "B",
18
+ "C",
19
+ "N",
20
+ "O",
21
+ "F",
22
+ "Ne",
23
+ "Na",
24
+ "Mg",
25
+ "Al",
26
+ "Si",
27
+ "P",
28
+ "S",
29
+ "Cl",
30
+ "Ar",
31
+ "K",
32
+ "Ca",
33
+ "Sc",
34
+ "Ti",
35
+ "V",
36
+ "Cr",
37
+ "Mn",
38
+ "Fe",
39
+ "Co",
40
+ "Ni",
41
+ "Cu",
42
+ "Zn",
43
+ "Ga",
44
+ "Ge",
45
+ "As",
46
+ "Se",
47
+ "Br",
48
+ "Kr",
49
+ "Rb",
50
+ "Sr",
51
+ "Y",
52
+ "Zr",
53
+ "Nb",
54
+ "Mo",
55
+ "Tc",
56
+ "Ru",
57
+ "Rh",
58
+ "Pd",
59
+ "Ag",
60
+ "Cd",
61
+ "In",
62
+ "Sn",
63
+ "Sb",
64
+ "Te",
65
+ "I",
66
+ "Xe",
67
+ "Cs",
68
+ "Ba",
69
+ "La",
70
+ "Ce",
71
+ "Pr",
72
+ "Nd",
73
+ "Pm",
74
+ "Sm",
75
+ "Eu",
76
+ "Gd",
77
+ "Tb",
78
+ "Dy",
79
+ "Ho",
80
+ "Er",
81
+ "Tm",
82
+ "Yb",
83
+ "Lu",
84
+ "Hf",
85
+ "Ta",
86
+ "W",
87
+ "Re",
88
+ "Os",
89
+ "Ir",
90
+ "Pt",
91
+ "Au",
92
+ "Hg",
93
+ "Tl",
94
+ "Pb",
95
+ "Bi",
96
+ "Po",
97
+ "At",
98
+ "Rn",
99
+ "Fr",
100
+ "Ra",
101
+ "Ac",
102
+ "Th",
103
+ "Pa",
104
+ "U",
105
+ "Np",
106
+ "Pu",
107
+ "Am",
108
+ "Cm",
109
+ "Bk",
110
+ "Cf",
111
+ ]
112
+
113
+ WK_A = [
114
+ [0.00427, 0.00957, 0.00802, 0.00209],
115
+ [0.01217, 0.02616, -0.00884, 0.01841],
116
+ [0.00251, 0.03576, 0.00988, 0.0237],
117
+ [0.01596, 0.02959, 0.04024, 0.01001],
118
+ [0.03652, 0.0114, 0.05677, 0.01506],
119
+ [0.04102, 0.04911, 0.05296, 0.00061],
120
+ [0.04123, 0.0574, 0.06529, 0.00373],
121
+ [0.03547, 0.03133, 0.10865, 0.01615],
122
+ [0.03957, 0.07225, 0.09581, 0.00792],
123
+ [0.02597, 0.02197, 0.13762, 0.05394],
124
+ [0.03283, 0.08858, 0.11688, 0.02516],
125
+ [0.03833, 0.17124, 0.03649, 0.04134],
126
+ [0.04388, 0.17743, 0.05047, 0.03957],
127
+ [0.03812, 0.17833, 0.0628, 0.05605],
128
+ [0.04166, 0.17817, 0.09479, 0.04463],
129
+ [0.04003, 0.18346, 0.12218, 0.03753],
130
+ [0.04245, 0.17645, 0.15814, 0.03011],
131
+ [0.05011, 0.16667, 0.17074, 0.04358],
132
+ [0.04058, 0.17582, 0.20943, 0.02922],
133
+ [0.04001, 0.17416, 0.20986, 0.05497],
134
+ [0.09685, 0.14777, 0.20981, 0.04852],
135
+ [0.06667, 0.17356, 0.2271, 0.05957],
136
+ [0.05118, 0.16791, 0.267, 0.06476],
137
+ [0.03204, 0.1846, 0.30764, 0.05052],
138
+ [0.03866, 0.17782, 0.31329, 0.06898],
139
+ [0.05455, 0.1666, 0.33208, 0.06947],
140
+ [0.05942, 0.17472, 0.34423, 0.06828],
141
+ [0.06049, 0.166, 0.37302, 0.07109],
142
+ [0.08034, 0.15838, 0.40116, 0.05467],
143
+ [0.02948, 0.192, 0.42222, 0.0748],
144
+ [0.16157, 0.32976, 0.18964, 0.06148],
145
+ [0.16184, 0.35705, 0.17618, 0.07133],
146
+ [0.0619, 0.18452, 0.416, 0.12793],
147
+ [0.15913, 0.41583, 0.13385, 0.10549],
148
+ [0.16514, 0.41202, 0.129, 0.13209],
149
+ [0.15798, 0.41181, 0.14254, 0.14987],
150
+ [0.16535, 0.44674, 0.24245, 0.03161],
151
+ [0.16039, 0.4447, 0.24661, 0.0584],
152
+ [0.16619, 0.44376, 0.25613, 0.06797],
153
+ [0.16794, 0.44505, 0.27188, 0.07313],
154
+ [0.16552, 0.45008, 0.30474, 0.06161],
155
+ [0.17327, 0.44679, 0.32441, 0.06143],
156
+ [0.16424, 0.45046, 0.33749, 0.07766],
157
+ [0.1875, 0.44919, 0.36323, 0.05388],
158
+ [0.16081, 0.45211, 0.40343, 0.0614],
159
+ [0.16599, 0.43951, 0.41478, 0.08142],
160
+ [0.16547, 0.44658, 0.45401, 0.05959],
161
+ [0.17154, 0.43689, 0.46392, 0.07725],
162
+ [0.15752, 0.44821, 0.48186, 0.08596],
163
+ [0.15732, 0.44563, 0.48507, 0.10948],
164
+ [0.16971, 0.42742, 0.48779, 0.13653],
165
+ [0.14927, 0.43729, 0.49444, 0.1644],
166
+ [0.18053, 0.44724, 0.48163, 0.15995],
167
+ [0.13141, 0.43855, 0.50035, 0.22299],
168
+ [0.31397, 0.55648, 0.39828, 0.04852],
169
+ [0.32756, 0.53927, 0.3983, 0.07607],
170
+ [0.30887, 0.53804, 0.42265, 0.09559],
171
+ [0.28398, 0.53568, 0.46662, 0.10282],
172
+ [0.3516, 0.56889, 0.4201, 0.07246],
173
+ [0.3381, 0.58035, 0.44442, 0.07413],
174
+ [0.35449, 0.59626, 0.43868, 0.07152],
175
+ [0.35559, 0.60598, 0.45165, 0.07168],
176
+ [0.38379, 0.64088, 0.4171, 0.06708],
177
+ [0.40352, 0.64303, 0.40488, 0.08137],
178
+ [0.36838, 0.64761, 0.47222, 0.06854],
179
+ [0.38514, 0.68422, 0.44359, 0.06775],
180
+ [0.3728, 0.67528, 0.47337, 0.0832],
181
+ [0.39335, 0.70093, 0.46774, 0.06658],
182
+ [0.40587, 0.71223, 0.46598, 0.06847],
183
+ [0.39728, 0.73368, 0.47795, 0.06759],
184
+ [0.40697, 0.73576, 0.47481, 0.08291],
185
+ [0.40122, 0.78861, 0.44658, 0.08799],
186
+ [0.41127, 0.76965, 0.46563, 0.1018],
187
+ [0.39978, 0.77171, 0.48541, 0.1154],
188
+ [0.3913, 0.80752, 0.48702, 0.11041],
189
+ [0.40436, 0.80701, 0.48445, 0.12438],
190
+ [0.38816, 0.80163, 0.51922, 0.13514],
191
+ [0.39551, 0.80409, 0.53365, 0.13485],
192
+ [0.4085, 0.83052, 0.53325, 0.11978],
193
+ [0.40092, 0.85415, 0.53346, 0.12747],
194
+ [0.41872, 0.88168, 0.54551, 0.09404],
195
+ [0.43358, 0.88007, 0.52966, 0.12059],
196
+ [0.40858, 0.87837, 0.56392, 0.13698],
197
+ [0.41637, 0.85094, 0.57749, 0.167],
198
+ [0.38951, 0.83297, 0.60557, 0.2077],
199
+ [0.41677, 0.88094, 0.5517, 0.21029],
200
+ [0.50089, 1.0086, 0.5142, 0.05996],
201
+ [0.4747, 0.99363, 0.54721, 0.09206],
202
+ [0.4781, 0.98385, 0.54905, 0.12055],
203
+ [0.47903, 0.97455, 0.55883, 0.14309],
204
+ [0.48351, 0.98292, 0.58877, 0.12425],
205
+ [0.48664, 0.98057, 0.61483, 0.12136],
206
+ [0.46078, 0.97139, 0.66506, 0.13012],
207
+ [0.49148, 0.98583, 0.67674, 0.09725],
208
+ [0.50865, 0.98574, 0.68109, 0.09977],
209
+ [0.46259, 0.97882, 0.73056, 0.12723],
210
+ [0.46221, 0.95749, 0.76259, 0.14086],
211
+ [0.485, 0.95602, 0.77234, 0.13374],
212
+ ]
213
+
214
+ WK_B = [
215
+ [4.17218, 16.05892, 26.78365, 69.45643],
216
+ [1.83008, 7.20225, 16.13585, 18.75551],
217
+ [0.0262, 2.00907, 10.80597, 130.49226],
218
+ [0.38968, 1.99268, 46.86913, 108.84167],
219
+ [0.50627, 3.68297, 27.90586, 74.98296],
220
+ [0.41335, 10.98289, 34.80286, 177.19113],
221
+ [0.29792, 7.84094, 22.58809, 72.59254],
222
+ [0.17964, 2.60856, 11.79972, 38.02912],
223
+ [0.16403, 3.96612, 12.43903, 40.05053],
224
+ [0.09101, 0.41253, 5.02463, 17.52954],
225
+ [0.06008, 2.07182, 7.64444, 146.00952],
226
+ [0.07424, 2.87177, 18.06729, 97.00854],
227
+ [0.09086, 2.53252, 30.43883, 98.26737],
228
+ [0.05396, 1.86461, 22.54263, 72.43144],
229
+ [0.05564, 1.625, 24.45354, 64.38264],
230
+ [0.05214, 1.40793, 23.35691, 53.59676],
231
+ [0.04643, 1.15677, 19.34091, 52.88785],
232
+ [0.07991, 1.01436, 15.67109, 39.60819],
233
+ [0.03352, 0.82984, 14.13679, 200.97722],
234
+ [0.02289, 0.71288, 11.18914, 135.0239],
235
+ [0.12527, 1.34248, 12.43524, 131.71112],
236
+ [0.05198, 0.86467, 10.59984, 103.56776],
237
+ [0.03786, 0.5716, 8.30305, 91.78068],
238
+ [0.0024, 0.44931, 7.92251, 86.64058],
239
+ [0.01836, 0.41203, 6.73736, 76.30466],
240
+ [0.03947, 0.43294, 6.26864, 71.2947],
241
+ [0.03962, 0.43253, 6.05175, 68.72437],
242
+ [0.03558, 0.39976, 5.3666, 62.46894],
243
+ [0.05475, 0.45736, 5.38252, 60.43276],
244
+ [0.00137, 0.26535, 4.4804, 54.26088],
245
+ [0.10455, 2.18391, 9.04125, 75.16958],
246
+ [0.0989, 2.06856, 9.89926, 68.13783],
247
+ [0.01642, 0.32542, 3.51888, 44.50604],
248
+ [0.07669, 1.89297, 11.31554, 46.32082],
249
+ [0.08199, 1.76568, 9.87254, 38.1064],
250
+ [0.06939, 1.53446, 8.98025, 33.04365],
251
+ [0.07044, 1.59236, 17.53592, 215.26198],
252
+ [0.06199, 1.41265, 14.33812, 152.80257],
253
+ [0.06364, 1.34205, 13.66551, 125.72522],
254
+ [0.06565, 1.25292, 13.09355, 109.50252],
255
+ [0.05921, 1.15624, 13.24924, 98.69958],
256
+ [0.06162, 1.11236, 12.76149, 90.92026],
257
+ [0.05081, 0.99771, 11.28925, 84.28943],
258
+ [0.0512, 1.08672, 12.23172, 85.27316],
259
+ [0.04662, 0.85252, 10.51121, 74.53949],
260
+ [0.04933, 0.79381, 9.30944, 41.17414],
261
+ [0.04481, 0.75608, 9.34354, 67.91975],
262
+ [0.04867, 0.71518, 8.40595, 64.244],
263
+ [0.03672, 0.64379, 7.83687, 73.37281],
264
+ [0.03308, 0.60931, 7.04977, 64.83582],
265
+ [0.04023, 0.58192, 6.29247, 55.57061],
266
+ [0.02842, 0.50687, 5.60835, 48.28004],
267
+ [0.0383, 0.5834, 6.4755, 47.0882],
268
+ [0.02097, 0.41007, 4.52105, 37.18178],
269
+ [0.07813, 1.45053, 15.05933, 199.4883],
270
+ [0.08444, 1.40227, 13.12939, 160.56676],
271
+ [0.07206, 1.19585, 11.55866, 127.31371],
272
+ [0.05717, 0.98756, 9.95556, 117.31874],
273
+ [0.08249, 1.43427, 12.37363, 150.55968],
274
+ [0.07081, 1.31033, 11.44403, 144.17706],
275
+ [0.07442, 1.3868, 11.54391, 143.72185],
276
+ [0.07155, 1.34703, 11.00432, 140.09138],
277
+ [0.07794, 1.55042, 11.89283, 142.79585],
278
+ [0.08508, 1.60712, 11.45367, 116.64063],
279
+ [0.0652, 1.32571, 10.16884, 134.69034],
280
+ [0.0685, 1.43566, 10.57719, 131.88972],
281
+ [0.06264, 1.26756, 9.46411, 107.50194],
282
+ [0.0675, 1.35829, 9.7648, 127.40374],
283
+ [0.06958, 1.3875, 9.41888, 122.1094],
284
+ [0.06574, 1.31578, 9.13448, 120.98209],
285
+ [0.06517, 1.29452, 8.67569, 100.34878],
286
+ [0.06213, 1.3086, 9.18871, 91.20213],
287
+ [0.06292, 1.23499, 8.42904, 77.59815],
288
+ [0.05693, 1.15762, 7.83077, 67.14066],
289
+ [0.05145, 1.1124, 8.33441, 65.71782],
290
+ [0.05573, 1.11159, 8.00221, 57.35021],
291
+ [0.04855, 0.99356, 7.38693, 51.75829],
292
+ [0.04981, 0.97669, 7.38024, 44.52068],
293
+ [0.05151, 1.00803, 8.03707, 45.01758],
294
+ [0.04693, 0.98398, 7.83562, 46.51474],
295
+ [0.05161, 1.02127, 9.18455, 64.88177],
296
+ [0.05154, 1.03252, 8.49678, 58.79463],
297
+ [0.042, 0.90939, 7.71158, 57.79178],
298
+ [0.04661, 0.87289, 6.84038, 51.36],
299
+ [0.04168, 0.73697, 5.86112, 43.78613],
300
+ [0.04488, 0.83871, 6.4402, 43.5194],
301
+ [0.05786, 1.20028, 13.85073, 172.15909],
302
+ [0.05239, 1.03225, 11.49796, 143.12303],
303
+ [0.05167, 0.98867, 10.52682, 112.18267],
304
+ [0.04931, 0.95698, 9.61135, 95.44649],
305
+ [0.04748, 0.93369, 9.89867, 102.06961],
306
+ [0.0466, 0.89912, 9.69785, 100.23434],
307
+ [0.04323, 0.78798, 8.71624, 92.30811],
308
+ [0.04641, 0.85867, 9.51157, 111.02754],
309
+ [0.04918, 0.87026, 9.41105, 104.98576],
310
+ [0.03904, 0.72797, 8.00506, 86.41747],
311
+ [0.03969, 0.68167, 7.29607, 75.72682],
312
+ [0.04291, 0.69956, 7.38554, 77.18528],
313
+ ]
314
+
315
+ DT_AB = [
316
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317
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414
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