@complat/react-spectra-editor 0.10.13-alpha.5

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Files changed (109) hide show
  1. package/LICENSE +662 -0
  2. package/README.md +37 -0
  3. package/dist/actions/edit_peak.js +25 -0
  4. package/dist/actions/forecast.js +41 -0
  5. package/dist/actions/integration.js +33 -0
  6. package/dist/actions/jcamp.js +41 -0
  7. package/dist/actions/layout.js +17 -0
  8. package/dist/actions/manager.js +49 -0
  9. package/dist/actions/meta.js +17 -0
  10. package/dist/actions/multiplicity.js +57 -0
  11. package/dist/actions/scan.js +33 -0
  12. package/dist/actions/shift.js +25 -0
  13. package/dist/actions/status.js +33 -0
  14. package/dist/actions/submit.js +41 -0
  15. package/dist/actions/threshold.js +33 -0
  16. package/dist/actions/ui.js +50 -0
  17. package/dist/app.js +125 -0
  18. package/dist/components/cmd_bar/01_viewer.js +133 -0
  19. package/dist/components/cmd_bar/02_zoom.js +119 -0
  20. package/dist/components/cmd_bar/03_peak.js +176 -0
  21. package/dist/components/cmd_bar/04_integration.js +273 -0
  22. package/dist/components/cmd_bar/05_multiplicity.js +228 -0
  23. package/dist/components/cmd_bar/06_undo_redo.js +137 -0
  24. package/dist/components/cmd_bar/common.js +104 -0
  25. package/dist/components/cmd_bar/index.js +113 -0
  26. package/dist/components/cmd_bar/r01_layout.js +351 -0
  27. package/dist/components/cmd_bar/r02_scan.js +226 -0
  28. package/dist/components/cmd_bar/r03_threshold.js +209 -0
  29. package/dist/components/cmd_bar/r04_submit.js +349 -0
  30. package/dist/components/cmd_bar/r05_submit_btn.js +147 -0
  31. package/dist/components/cmd_bar/r06_predict_btn.js +307 -0
  32. package/dist/components/cmd_bar/tri_btn.js +202 -0
  33. package/dist/components/common/chem.js +115 -0
  34. package/dist/components/common/comps.js +29 -0
  35. package/dist/components/common/draw.js +41 -0
  36. package/dist/components/d3_line/index.js +236 -0
  37. package/dist/components/d3_line/line_focus.js +765 -0
  38. package/dist/components/d3_rect/index.js +200 -0
  39. package/dist/components/d3_rect/rect_focus.js +301 -0
  40. package/dist/components/forecast/comps.js +337 -0
  41. package/dist/components/forecast/ir_comps.js +224 -0
  42. package/dist/components/forecast/ir_viewer.js +172 -0
  43. package/dist/components/forecast/nmr_comps.js +253 -0
  44. package/dist/components/forecast/nmr_viewer.js +170 -0
  45. package/dist/components/forecast/section_loading.js +95 -0
  46. package/dist/components/forecast_viewer.js +190 -0
  47. package/dist/components/panel/compare.js +370 -0
  48. package/dist/components/panel/index.js +191 -0
  49. package/dist/components/panel/info.js +335 -0
  50. package/dist/components/panel/multiplicity.js +405 -0
  51. package/dist/components/panel/multiplicity_coupling.js +195 -0
  52. package/dist/components/panel/multiplicity_select.js +114 -0
  53. package/dist/components/panel/peaks.js +296 -0
  54. package/dist/constants/action_type.js +140 -0
  55. package/dist/constants/list_layout.js +23 -0
  56. package/dist/constants/list_shift.js +480 -0
  57. package/dist/constants/list_ui.js +33 -0
  58. package/dist/fn.js +31 -0
  59. package/dist/helpers/brush.js +109 -0
  60. package/dist/helpers/calc.js +10 -0
  61. package/dist/helpers/carbonFeatures.js +47 -0
  62. package/dist/helpers/cfg.js +89 -0
  63. package/dist/helpers/chem.js +594 -0
  64. package/dist/helpers/compass.js +91 -0
  65. package/dist/helpers/converter.js +74 -0
  66. package/dist/helpers/extractParams.js +77 -0
  67. package/dist/helpers/extractPeaksEdit.js +69 -0
  68. package/dist/helpers/focus.js +15 -0
  69. package/dist/helpers/format.js +403 -0
  70. package/dist/helpers/init.js +80 -0
  71. package/dist/helpers/integration.js +30 -0
  72. package/dist/helpers/mount.js +112 -0
  73. package/dist/helpers/multiplicity.js +44 -0
  74. package/dist/helpers/multiplicity_calc.js +117 -0
  75. package/dist/helpers/multiplicity_complat.js +126 -0
  76. package/dist/helpers/multiplicity_manual.js +94 -0
  77. package/dist/helpers/multiplicity_verify_basic.js +196 -0
  78. package/dist/helpers/shift.js +48 -0
  79. package/dist/helpers/zoom.js +32 -0
  80. package/dist/index.js +705 -0
  81. package/dist/layer_content.js +125 -0
  82. package/dist/layer_init.js +231 -0
  83. package/dist/layer_prism.js +186 -0
  84. package/dist/reducers/index.js +89 -0
  85. package/dist/reducers/reducer_edit_peak.js +111 -0
  86. package/dist/reducers/reducer_forecast.js +113 -0
  87. package/dist/reducers/reducer_integration.js +136 -0
  88. package/dist/reducers/reducer_jcamp.js +74 -0
  89. package/dist/reducers/reducer_layout.js +27 -0
  90. package/dist/reducers/reducer_manager.js +20 -0
  91. package/dist/reducers/reducer_meta.js +30 -0
  92. package/dist/reducers/reducer_multiplicity.js +131 -0
  93. package/dist/reducers/reducer_scan.js +55 -0
  94. package/dist/reducers/reducer_shift.js +99 -0
  95. package/dist/reducers/reducer_simulation.js +30 -0
  96. package/dist/reducers/reducer_status.js +41 -0
  97. package/dist/reducers/reducer_submit.js +54 -0
  98. package/dist/reducers/reducer_threshold.js +34 -0
  99. package/dist/reducers/reducer_ui.js +46 -0
  100. package/dist/reducers/undo_redo_config.js +24 -0
  101. package/dist/sagas/index.js +50 -0
  102. package/dist/sagas/saga_edit_peak.js +84 -0
  103. package/dist/sagas/saga_manager.js +116 -0
  104. package/dist/sagas/saga_meta.js +46 -0
  105. package/dist/sagas/saga_multiplicity.js +387 -0
  106. package/dist/sagas/saga_ui.js +392 -0
  107. package/dist/third_party/jAnalyzer.js +596 -0
  108. package/dist/third_party/peakInterval.js +107 -0
  109. package/package.json +77 -0
@@ -0,0 +1,480 @@
1
+ 'use strict';
2
+
3
+ Object.defineProperty(exports, "__esModule", {
4
+ value: true
5
+ });
6
+ exports.getListShift = exports.LIST_SHIFT_29Si = exports.LIST_SHIFT_15N = exports.LIST_SHIFT_31P = exports.LIST_SHIFT_19F = exports.LIST_SHIFT_1H = exports.LIST_SHIFT_13C = undefined;
7
+
8
+ var _list_layout = require('./list_layout');
9
+
10
+ var noReference = {
11
+ name: '- - -',
12
+ value: 0.0,
13
+ label: false
14
+ };
15
+
16
+ var cActicAcidD4Sept = {
17
+ name: 'Actic acid-d4 (sept)',
18
+ value: 20.0,
19
+ label: 'Actic acid-d4'
20
+ };
21
+
22
+ var cActicAcidD4S = {
23
+ name: 'Actic acid-d4 (s)',
24
+ value: 178.990,
25
+ label: 'Actic acid-d4'
26
+ };
27
+
28
+ var cAcetoneD6Sep = {
29
+ name: 'Acetone-d6 (sep)',
30
+ value: 29.920,
31
+ label: 'Acetone-d6',
32
+ nsdb: 'Acetone-D6 ((CD3)2CO)'
33
+ };
34
+
35
+ var cAcetoneD6Broad = {
36
+ name: 'Acetone-d6 (broad)',
37
+ value: 206.68,
38
+ label: 'Acetone-d6',
39
+ nsdb: 'Acetone-D6 ((CD3)2CO)'
40
+ };
41
+
42
+ var cAcetonitrileD3Sep = {
43
+ name: 'Acetonitrile-d3 (sep)',
44
+ value: 1.39,
45
+ label: 'Acetonitrile-d3',
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+ nsdb: 'Acetonitrile-D3(CD3CN)'
47
+ };
48
+
49
+ var cAcetonitrileD3S = {
50
+ name: 'Acetonitrile-d3 (s)',
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+ value: 118.69,
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+ label: 'Acetonitrile-d3',
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+ nsdb: 'Acetonitrile-D3(CD3CN)'
54
+ };
55
+
56
+ var cBenzeneT = {
57
+ name: 'Benzene (t)',
58
+ value: 128.390,
59
+ label: 'Benzene-d6',
60
+ nsdb: 'Benzene-D6 (C6D6)'
61
+ };
62
+
63
+ var cChloroformDT = {
64
+ name: 'Chloroform-d (t)',
65
+ value: 77.00,
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+ label: 'CDCl$3',
67
+ nsdb: 'Chloroform-D1 (CDCl3)'
68
+ };
69
+
70
+ var cCyclohexaneD12Quin = {
71
+ name: 'Cyclohexane-d12 (quin)',
72
+ value: 26.430,
73
+ label: 'C$6D$1$2'
74
+ };
75
+
76
+ var cDichloromethaneD2Quin = {
77
+ name: 'Dichloromethane-d2 (quin)',
78
+ value: 54.0,
79
+ label: 'CD$2Cl$2'
80
+ };
81
+
82
+ var cDmfD7Sep1 = {
83
+ name: 'DMF-d7 (sep)-1',
84
+ value: 29.76,
85
+ label: 'DMF-d7'
86
+ };
87
+
88
+ var cDmfD7Sep2 = {
89
+ name: 'DMF-d7 (sep)-2',
90
+ value: 34.89,
91
+ label: 'DMF-d7'
92
+ };
93
+
94
+ var cDmfD7T3 = {
95
+ name: 'DMF-d7 (t)-3',
96
+ value: 163.15,
97
+ label: 'DMF-d7'
98
+ };
99
+
100
+ var cDioxaneD8Quin = {
101
+ name: 'Dioxane-d8 (quin)',
102
+ value: 66.660,
103
+ label: 'Dioxane-d8'
104
+ };
105
+
106
+ var cDmsoD6 = {
107
+ name: 'DMSO-d6',
108
+ value: 39.51,
109
+ label: 'DMSO-d6',
110
+ nsdb: 'Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO))'
111
+ };
112
+
113
+ var cEthanolD6Sep = {
114
+ name: 'Ethanol-d6 (sep)',
115
+ value: 17.3,
116
+ label: 'Ethanol-d6'
117
+ };
118
+
119
+ var cEthanolD6Quin = {
120
+ name: 'Ethanol-d6 (quin)',
121
+ value: 56.96,
122
+ label: 'Ethanol-d6'
123
+ };
124
+
125
+ var cMethanolD4Sep = {
126
+ name: 'Methanol-d4 (sep)',
127
+ value: 49.15,
128
+ label: 'Methanol-d4',
129
+ nsdb: 'Methanol-D4 (CD3OD)'
130
+ };
131
+
132
+ var cPyridineD5T1 = {
133
+ name: 'Pyridine-d5 (t)-1',
134
+ value: 123.87,
135
+ label: 'Pyridine-d5',
136
+ nsdb: 'Pyridin-D5 (C5D5N)'
137
+ };
138
+
139
+ var cPyridineD5T2 = {
140
+ name: 'Pyridine-d5 (t)-2',
141
+ value: 135.91,
142
+ label: 'Pyridine-d5',
143
+ nsdb: 'Pyridin-D5 (C5D5N)'
144
+ };
145
+
146
+ var cPyridineD5T3 = {
147
+ name: 'Pyridine-d5 (t)-3',
148
+ value: 150.35,
149
+ label: 'Pyridine-d5',
150
+ nsdb: 'Pyridin-D5 (C5D5N)'
151
+ };
152
+
153
+ var cThfD8Quin1 = {
154
+ name: 'THF-d8 (quin)-1',
155
+ value: 25.37,
156
+ label: 'THF-d8 ',
157
+ nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
158
+ };
159
+
160
+ var cThfD8Quin2 = {
161
+ name: 'THF-d8 (quin)-2',
162
+ value: 67.57,
163
+ label: 'THF-d8 ',
164
+ nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
165
+ };
166
+
167
+ var cTmsS = {
168
+ name: 'TMS (s)',
169
+ value: 0.00,
170
+ label: 'TMS'
171
+ };
172
+
173
+ var cTolueneD8Sep1 = {
174
+ name: 'Toluene-d8 (sep)-1',
175
+ value: 20.4,
176
+ label: 'Toluene-d8'
177
+ };
178
+
179
+ var cTolueneD8T2 = {
180
+ name: 'Toluene-d8 (t)-2',
181
+ value: 125.49,
182
+ label: 'Toluene-d8'
183
+ };
184
+
185
+ var cTolueneD8T3 = {
186
+ name: 'Toluene-d8 (t)-3',
187
+ value: 128.33,
188
+ label: 'Toluene-d8'
189
+ };
190
+
191
+ var cTolueneD8T4 = {
192
+ name: 'Toluene-d8 (t)-4',
193
+ value: 129.24,
194
+ label: 'Toluene-d8'
195
+ };
196
+
197
+ var cTolueneD8T5 = {
198
+ name: 'Toluene-d8 (s)-5',
199
+ value: 137.86,
200
+ label: 'Toluene-d8'
201
+ };
202
+
203
+ var cTfaDQ1 = {
204
+ name: 'TFA-d (q)-1',
205
+ value: 116.60,
206
+ label: 'TFA-d'
207
+ };
208
+
209
+ var cTfaDQ2 = {
210
+ name: 'TFA-d (q)-2',
211
+ value: 164.20,
212
+ label: 'TFA-d'
213
+ };
214
+
215
+ var cTrifluoroethanolD3Quin = {
216
+ name: 'Trifluoroethanol-d3 (quin)',
217
+ value: 61.50,
218
+ label: 'Trifluoroethanol-d3'
219
+ };
220
+
221
+ var cTrifluoroethanolD3Broad = {
222
+ name: 'Trifluoroethanol-d3 (broad)',
223
+ value: 126.3,
224
+ label: 'Trifluoroethanol-d3'
225
+ };
226
+
227
+ var LIST_SHIFT_13C = [noReference, cActicAcidD4Sept, cActicAcidD4S, cAcetoneD6Sep, cAcetoneD6Broad, cAcetonitrileD3Sep, cAcetonitrileD3S, cBenzeneT, cChloroformDT, cCyclohexaneD12Quin, cDichloromethaneD2Quin, cDmfD7Sep1, cDmfD7Sep2, cDmfD7T3, cDioxaneD8Quin, cDmsoD6, cEthanolD6Sep, cEthanolD6Quin, cMethanolD4Sep, cPyridineD5T1, cPyridineD5T2, cPyridineD5T3, cThfD8Quin1, cThfD8Quin2, cTmsS, cTolueneD8Sep1, cTolueneD8T2, cTolueneD8T3, cTolueneD8T4, cTolueneD8T5, cTfaDQ1, cTfaDQ2, cTrifluoroethanolD3Quin, cTrifluoroethanolD3Broad];
228
+
229
+ var hActicAcidD4Quin = {
230
+ name: 'Actic acid-d4 (quin)',
231
+ value: 2.04,
232
+ label: 'Actic acid-d4'
233
+ };
234
+
235
+ var hActicAcidD4S = {
236
+ name: 'Actic acid-d4 (s)',
237
+ value: 11.65,
238
+ label: 'Actic acid-d4'
239
+ };
240
+
241
+ var hAcetoneD6Quin = {
242
+ name: 'Acetone-d6 (quin)',
243
+ value: 2.05,
244
+ label: 'Acetone-d6',
245
+ nsdb: 'Acetone-D6 ((CD3)2CO)'
246
+ };
247
+
248
+ var hAcetonitrileD3Qquin = {
249
+ name: 'Acetonitrile-d3 (quin)',
250
+ value: 1.94,
251
+ label: 'Acetonitrile-d3',
252
+ nsdb: 'Acetonitrile-D3(CD3CN)'
253
+ };
254
+
255
+ var hBenzeneS = {
256
+ name: 'Benzene (s)',
257
+ value: 7.16,
258
+ label: 'Benzene-d6',
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+ nsdb: 'Benzene-D6 (C6D6)'
260
+ };
261
+
262
+ var hChloroformDS = {
263
+ name: 'Chloroform-d (s)',
264
+ value: 7.27,
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+ label: 'CDCl$3',
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+ nsdb: 'Chloroform-D1 (CDCl3)'
267
+ };
268
+
269
+ var hCyclohexaneD12S = {
270
+ name: 'Cyclohexane-d12 (s)',
271
+ value: 1.38,
272
+ label: 'C$6D$1$2'
273
+ };
274
+
275
+ var hDeuteriumOxideS = {
276
+ name: 'Deuterium oxide (s)',
277
+ value: 4.75,
278
+ label: 'D$2O',
279
+ nsdb: 'Deuteriumoxide (D2O)'
280
+ };
281
+
282
+ var hDichloroethaneD4S = {
283
+ name: 'Dichloroethane-d4 (s)',
284
+ value: 3.72,
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+ label: 'Dichloroethane-d4'
286
+ };
287
+
288
+ var hDichloromethaneD2T = {
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+ name: 'Dichloromethane-d2 (t)',
290
+ value: 5.32,
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+ label: 'CD2Cl2',
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+ nsdb: 'Methylenchloride-D2 (CD2Cl2)'
293
+ };
294
+
295
+ var hDMFD7Quin1 = {
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+ name: 'DMF-d7 (quin)-1',
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+ value: 2.75,
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+ label: 'DMF-d7'
299
+ };
300
+
301
+ var hDMFD7Quin2 = {
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+ name: 'DMF-d7 (quin)-2',
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+ value: 2.92,
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+ label: 'DMF-d7'
305
+ };
306
+
307
+ var hDMFD7Broad3 = {
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+ name: 'DMF-d7 (broad)-3',
309
+ value: 8.03,
310
+ label: 'DMF-d7'
311
+ };
312
+
313
+ var hDioxaneD8Broad = {
314
+ name: 'Dioxane-d8 (broad)',
315
+ value: 3.53,
316
+ label: 'Dioxane-d8'
317
+ };
318
+
319
+ var hDMSOD6Quin = {
320
+ name: 'DMSO-d6 (quin)',
321
+ value: 2.50,
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+ label: 'DMSO-d6',
323
+ nsdb: 'Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO))'
324
+ };
325
+
326
+ var hEthanolD6Broad1 = {
327
+ name: 'Ethanol-d6 (broad)-1',
328
+ value: 1.11,
329
+ label: 'Ethanol-d6'
330
+ };
331
+
332
+ var hEthanolD6S2 = {
333
+ name: 'Ethanol-d6 (s)-2',
334
+ value: 3.56,
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+ label: 'Ethanol-d6'
336
+ };
337
+
338
+ var hEthanolD6S3 = {
339
+ name: 'Ethanol-d6 (s)-3',
340
+ value: 5.29,
341
+ label: 'Ethanol-d6'
342
+ };
343
+
344
+ var hMethanolD4Quin = {
345
+ name: 'Methanol-d4 (quin)',
346
+ value: 3.31,
347
+ label: 'Methanol-d4',
348
+ nsdb: 'Methanol-D4 (CD3OD)'
349
+ };
350
+
351
+ var hMethanolD4S = {
352
+ name: 'Methanol-d4 (s)',
353
+ value: 4.87,
354
+ label: 'Methanol-d4',
355
+ nsdb: 'Methanol-D4 (CD3OD)'
356
+ };
357
+
358
+ var hNitromethaneD3S = {
359
+ name: 'Nitromethane-d3 (s)',
360
+ value: 4.33,
361
+ label: 'Nitromethane-d3'
362
+ };
363
+
364
+ var hPyridineD5Broad1 = {
365
+ name: 'Pyridine-d5 (broad)-1',
366
+ value: 7.22,
367
+ label: 'Pyridine-d5',
368
+ nsdb: 'Pyridin-D5 (C5D5N)'
369
+ };
370
+
371
+ var hPyridineD5Broad2 = {
372
+ name: 'Pyridine-d5 (broad)-2',
373
+ value: 7.58,
374
+ label: 'Pyridine-d5',
375
+ nsdb: 'Pyridin-D5 (C5D5N)'
376
+ };
377
+
378
+ var hPyridineD5Broad3 = {
379
+ name: 'Pyridine-d5 (broad)-3',
380
+ value: 8.74,
381
+ label: 'Pyridine-d5',
382
+ nsdb: 'Pyridin-D5 (C5D5N)'
383
+ };
384
+
385
+ var hTHFD8S1 = {
386
+ name: 'THF-d8 (s)-1',
387
+ value: 1.73,
388
+ label: 'THF-d8',
389
+ nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
390
+ };
391
+
392
+ var hTHFD8S2 = {
393
+ name: 'THF-d8 (s)-2',
394
+ value: 3.58,
395
+ label: 'THF-d8',
396
+ nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
397
+ };
398
+
399
+ var hTMSS = {
400
+ name: 'TMS (s)',
401
+ value: 0.0,
402
+ label: 'TMS'
403
+ };
404
+
405
+ var hTolueneD8Quin = {
406
+ name: 'Toluene-d8 (quin)-1',
407
+ value: 2.09,
408
+ label: 'Toluene-d8'
409
+ };
410
+
411
+ var hTolueneD8Boad2 = {
412
+ name: 'Toluene-d8 (boad)-2',
413
+ value: 6.98,
414
+ label: 'Toluene-d8'
415
+ };
416
+
417
+ var hTolueneD8S3 = {
418
+ name: 'Toluene-d8 (s)-3',
419
+ value: 7.00,
420
+ label: 'Toluene-d8'
421
+ };
422
+
423
+ var hTolueneD8Broad4 = {
424
+ name: 'Toluene-d8 (broad)-4',
425
+ value: 7.09,
426
+ label: 'Toluene-d8'
427
+ };
428
+
429
+ var hTFADS = {
430
+ name: 'TFA-d (s)',
431
+ value: 11.5,
432
+ label: 'TFA-d'
433
+ };
434
+
435
+ var hTrifluoroethanolD31 = {
436
+ name: 'Trifluoroethanol-d3-1',
437
+ value: 3.88,
438
+ label: 'Trifluoroethanol-d3'
439
+ };
440
+
441
+ var hTrifluoroethanolD32 = {
442
+ name: 'Trifluoroethanol-d3-2',
443
+ value: 5.02,
444
+ label: 'Trifluoroethanol-d3'
445
+ };
446
+
447
+ var LIST_SHIFT_1H = [noReference, hActicAcidD4Quin, hActicAcidD4S, hAcetoneD6Quin, hAcetonitrileD3Qquin, hBenzeneS, hChloroformDS, hCyclohexaneD12S, hDeuteriumOxideS, hDichloroethaneD4S, hDichloromethaneD2T, hDMFD7Quin1, hDMFD7Quin2, hDMFD7Broad3, hDioxaneD8Broad, hDMSOD6Quin, hEthanolD6Broad1, hEthanolD6S2, hEthanolD6S3, hMethanolD4Quin, hMethanolD4S, hNitromethaneD3S, hPyridineD5Broad1, hPyridineD5Broad2, hPyridineD5Broad3, hTHFD8S1, hTHFD8S2, hTMSS, hTolueneD8Quin, hTolueneD8Boad2, hTolueneD8S3, hTolueneD8Broad4, hTFADS, hTrifluoroethanolD31, hTrifluoroethanolD32];
448
+
449
+ var LIST_SHIFT_19F = [];
450
+
451
+ var LIST_SHIFT_31P = [];
452
+ var LIST_SHIFT_15N = [];
453
+ var LIST_SHIFT_29Si = [];
454
+
455
+ var getListShift = function getListShift(layoutSt) {
456
+ switch (layoutSt) {
457
+ case _list_layout.LIST_LAYOUT.H1:
458
+ return LIST_SHIFT_1H;
459
+ case _list_layout.LIST_LAYOUT.C13:
460
+ return LIST_SHIFT_13C;
461
+ case _list_layout.LIST_LAYOUT.F19:
462
+ return LIST_SHIFT_19F;
463
+ case _list_layout.LIST_LAYOUT.P31:
464
+ return LIST_SHIFT_31P;
465
+ case _list_layout.LIST_LAYOUT.N15:
466
+ return LIST_SHIFT_15N;
467
+ case _list_layout.LIST_LAYOUT.Si29:
468
+ return LIST_SHIFT_29Si;
469
+ default:
470
+ return [];
471
+ }
472
+ };
473
+
474
+ exports.LIST_SHIFT_13C = LIST_SHIFT_13C;
475
+ exports.LIST_SHIFT_1H = LIST_SHIFT_1H;
476
+ exports.LIST_SHIFT_19F = LIST_SHIFT_19F;
477
+ exports.LIST_SHIFT_31P = LIST_SHIFT_31P;
478
+ exports.LIST_SHIFT_15N = LIST_SHIFT_15N;
479
+ exports.LIST_SHIFT_29Si = LIST_SHIFT_29Si;
480
+ exports.getListShift = getListShift;
@@ -0,0 +1,33 @@
1
+ 'use strict';
2
+
3
+ Object.defineProperty(exports, "__esModule", {
4
+ value: true
5
+ });
6
+ var LIST_UI_VIEWER_TYPE = {
7
+ SPECTRUM: 'spectrum',
8
+ ANALYSIS: 'analysis'
9
+ };
10
+
11
+ var LIST_UI_SWEEP_TYPE = {
12
+ ZOOMIN: 'zoom in',
13
+ ZOOMRESET: 'zoom reset',
14
+ INTEGRATION_ADD: 'integration add',
15
+ INTEGRATION_RM: 'integration remove',
16
+ INTEGRATION_REF: 'integration reference',
17
+ INTEGRATION_SET_REF: 'integration set ref',
18
+ MULTIPLICITY_SWEEP_ADD: 'multiplicity sweep add',
19
+ MULTIPLICITY_ONE_CLICK: 'multiplicity one click',
20
+ MULTIPLICITY_ONE_RM: 'multiplicity one remove',
21
+ MULTIPLICITY_PEAK_ADD: 'multiplicity peak add',
22
+ MULTIPLICITY_PEAK_RM: 'multiplicity peak remove',
23
+ MULTIPLICITY_ALL_CLEAR: 'multiplicity all clear',
24
+ PEAK_ADD: 'peak add',
25
+ PEAK_DELETE: 'peak delete',
26
+ ANCHOR_SHIFT: 'anchor shift'
27
+ };
28
+
29
+ var LIST_NON_BRUSH_TYPES = [LIST_UI_SWEEP_TYPE.PEAK_ADD, LIST_UI_SWEEP_TYPE.PEAK_DELETE, LIST_UI_SWEEP_TYPE.ANCHOR_SHIFT, LIST_UI_SWEEP_TYPE.INTEGRATION_RM, LIST_UI_SWEEP_TYPE.INTEGRATION_SET_REF, LIST_UI_SWEEP_TYPE.MULTIPLICITY_PEAK_ADD, LIST_UI_SWEEP_TYPE.MULTIPLICITY_PEAK_RM, LIST_UI_SWEEP_TYPE.MULTIPLICITY_ONE_CLICK, LIST_UI_SWEEP_TYPE.MULTIPLICITY_ONE_RM];
30
+
31
+ exports.LIST_UI_VIEWER_TYPE = LIST_UI_VIEWER_TYPE;
32
+ exports.LIST_UI_SWEEP_TYPE = LIST_UI_SWEEP_TYPE;
33
+ exports.LIST_NON_BRUSH_TYPES = LIST_NON_BRUSH_TYPES;
package/dist/fn.js ADDED
@@ -0,0 +1,31 @@
1
+ 'use strict';
2
+
3
+ Object.defineProperty(exports, "__esModule", {
4
+ value: true
5
+ });
6
+
7
+ var _format = require('./helpers/format');
8
+
9
+ var _format2 = _interopRequireDefault(_format);
10
+
11
+ var _chem = require('./helpers/chem');
12
+
13
+ var _converter = require('./helpers/converter');
14
+
15
+ var _multiplicity_calc = require('./helpers/multiplicity_calc');
16
+
17
+ var _carbonFeatures = require('./helpers/carbonFeatures');
18
+
19
+ var _list_layout = require('./constants/list_layout');
20
+
21
+ function _interopRequireDefault(obj) { return obj && obj.__esModule ? obj : { default: obj }; }
22
+
23
+ var FN = Object.assign({}, _format2.default, {
24
+ ExtractJcamp: _chem.ExtractJcamp,
25
+ ToXY: _converter.ToXY,
26
+ LIST_LAYOUT: _list_layout.LIST_LAYOUT,
27
+ CalcMpyCenter: _multiplicity_calc.calcMpyCenter,
28
+ CarbonFeatures: _carbonFeatures.carbonFeatures
29
+ });
30
+
31
+ exports.default = FN;
@@ -0,0 +1,109 @@
1
+ 'use strict';
2
+
3
+ Object.defineProperty(exports, "__esModule", {
4
+ value: true
5
+ });
6
+
7
+ var _slicedToArray = function () { function sliceIterator(arr, i) { var _arr = []; var _n = true; var _d = false; var _e = undefined; try { for (var _i = arr[Symbol.iterator](), _s; !(_n = (_s = _i.next()).done); _n = true) { _arr.push(_s.value); if (i && _arr.length === i) break; } } catch (err) { _d = true; _e = err; } finally { try { if (!_n && _i["return"]) _i["return"](); } finally { if (_d) throw _e; } } return _arr; } return function (arr, i) { if (Array.isArray(arr)) { return arr; } else if (Symbol.iterator in Object(arr)) { return sliceIterator(arr, i); } else { throw new TypeError("Invalid attempt to destructure non-iterable instance"); } }; }();
8
+
9
+ var _d2 = require('d3');
10
+
11
+ var d3 = _interopRequireWildcard(_d2);
12
+
13
+ var _compass = require('./compass');
14
+
15
+ function _interopRequireWildcard(obj) { if (obj && obj.__esModule) { return obj; } else { var newObj = {}; if (obj != null) { for (var key in obj) { if (Object.prototype.hasOwnProperty.call(obj, key)) newObj[key] = obj[key]; } } newObj.default = obj; return newObj; } }
16
+
17
+ var wheeled = function wheeled(focus) {
18
+ var currentExtent = focus.currentExtent,
19
+ scrollUiWheelAct = focus.scrollUiWheelAct;
20
+
21
+ var wheelEvent = focus.isFirefox ? -d3.event.deltaY : d3.event.wheelDelta; // WORKAROUND: firefox wheel compatibilty
22
+ var direction = wheelEvent > 0;
23
+ scrollUiWheelAct(Object.assign({}, currentExtent, { direction: direction }));
24
+ };
25
+
26
+ var brushed = function brushed(focus, isUiAddIntgSt) {
27
+ var selectUiSweepAct = focus.selectUiSweepAct,
28
+ data = focus.data,
29
+ dataPks = focus.dataPks,
30
+ brush = focus.brush,
31
+ w = focus.w,
32
+ h = focus.h,
33
+ scales = focus.scales;
34
+
35
+ var selection = d3.event.selection && d3.event.selection.reverse();
36
+ if (!selection) return;
37
+ var xes = [w, 0].map(scales.x.invert).sort(function (a, b) {
38
+ return a - b;
39
+ });
40
+ var yes = [h, 0].map(scales.y.invert).sort(function (a, b) {
41
+ return a - b;
42
+ });
43
+ var xExtent = { xL: xes[0], xU: xes[1] };
44
+ var yExtent = { yL: yes[0], yU: yes[1] };
45
+ if (isUiAddIntgSt) {
46
+ xes = selection.map(scales.x.invert).sort(function (a, b) {
47
+ return a - b;
48
+ });
49
+ xExtent = { xL: xes[0], xU: xes[1] };
50
+ } else {
51
+ var _selection = _slicedToArray(selection, 2),
52
+ begPt = _selection[0],
53
+ endPt = _selection[1];
54
+
55
+ xes = [begPt[0], endPt[0]].map(scales.x.invert).sort(function (a, b) {
56
+ return a - b;
57
+ });
58
+ yes = [begPt[1], endPt[1]].map(scales.y.invert).sort(function (a, b) {
59
+ return a - b;
60
+ });
61
+ xExtent = { xL: xes[0], xU: xes[1] };
62
+ yExtent = { yL: yes[0], yU: yes[1] };
63
+ }
64
+ selectUiSweepAct({
65
+ xExtent: xExtent, yExtent: yExtent, data: data, dataPks: dataPks
66
+ });
67
+ d3.select('.d3Svg').selectAll('.brush').call(brush.move, null);
68
+ };
69
+
70
+ var MountBrush = function MountBrush(focus, isUiAddIntgSt, isUiNoBrushSt) {
71
+ var root = focus.root,
72
+ svg = focus.svg,
73
+ brush = focus.brush,
74
+ brushX = focus.brushX,
75
+ w = focus.w,
76
+ h = focus.h;
77
+
78
+ svg.selectAll('.brush').remove();
79
+ svg.selectAll('.brushX').remove();
80
+
81
+ var brushedCb = function brushedCb() {
82
+ return brushed(focus, isUiAddIntgSt);
83
+ };
84
+ var wheeledCb = function wheeledCb() {
85
+ return wheeled(focus);
86
+ };
87
+
88
+ if (isUiNoBrushSt) {
89
+ var target = isUiAddIntgSt ? brushX : brush;
90
+ target.handleSize(10).extent([[0, 0], [w, h]]).on('end', brushedCb);
91
+
92
+ // append brush components
93
+ var klass = isUiAddIntgSt ? 'brushX' : 'brush';
94
+ root.append('g').attr('class', klass).on('mousemove', function () {
95
+ return (0, _compass.MouseMove)(focus);
96
+ }).call(target);
97
+ }
98
+
99
+ svg.on('wheel', wheeledCb);
100
+ };
101
+
102
+ exports.default = MountBrush;
103
+
104
+ // const resetedCb = () => reseted(main);
105
+ // main.svg.on('dblclick', resetedCb);
106
+ // const reseted = (main) => {
107
+ // const { selectUiSweepAct } = main;
108
+ // selectUiSweepAct({ xExtent: false, yExtent: false });
109
+ // };
@@ -0,0 +1,10 @@
1
+ "use strict";
2
+
3
+ Object.defineProperty(exports, "__esModule", {
4
+ value: true
5
+ });
6
+ var almostEqual = function almostEqual(a, b) {
7
+ return Math.abs(a - b) < 0.00000001 * Math.abs(a + b);
8
+ };
9
+
10
+ exports.almostEqual = almostEqual;
@@ -0,0 +1,47 @@
1
+ 'use strict';
2
+
3
+ Object.defineProperty(exports, "__esModule", {
4
+ value: true
5
+ });
6
+ exports.carbonFeatures = undefined;
7
+
8
+ var _multiplicity_calc = require('./multiplicity_calc');
9
+
10
+ function _toConsumableArray(arr) { if (Array.isArray(arr)) { for (var i = 0, arr2 = Array(arr.length); i < arr.length; i++) { arr2[i] = arr[i]; } return arr2; } else { return Array.from(arr); } }
11
+
12
+ var carbonFeatures = function carbonFeatures(peaksEdit, multiplicitySt) {
13
+ var stack = multiplicitySt.stack,
14
+ shift = multiplicitySt.shift;
15
+
16
+ var nmrMpyCenters = stack.map(function (stk) {
17
+ return {
18
+ x: (0, _multiplicity_calc.calcMpyCenter)(stk.peaks, shift, stk.mpyType),
19
+ y: 0
20
+ };
21
+ });
22
+ var targetIdxs = [];
23
+ stack.forEach(function (stk) {
24
+ // find peak idxs to be removed
25
+ stk.peaks.forEach(function (p) {
26
+ var targetIdx = -1;
27
+ var minDiff = 999999999;
28
+ peaksEdit.forEach(function (pe, idx) {
29
+ var xDiff = Math.abs(pe.x - p.x);
30
+ if (xDiff < minDiff) {
31
+ targetIdx = idx;
32
+ minDiff = xDiff;
33
+ }
34
+ });
35
+ targetIdxs = [].concat(_toConsumableArray(targetIdxs), [targetIdx]);
36
+ });
37
+ });
38
+ var features = [].concat(_toConsumableArray(nmrMpyCenters));
39
+ peaksEdit.forEach(function (pe, idx) {
40
+ if (targetIdxs.indexOf(idx) < 0) {
41
+ features = [].concat(_toConsumableArray(features), [pe]);
42
+ }
43
+ });
44
+ return features;
45
+ };
46
+
47
+ exports.carbonFeatures = carbonFeatures; // eslint-disable-line