molstar 3.0.0 → 3.0.1

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 (1790) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +194 -194
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/viewer/app.js +6 -3
  8. package/lib/apps/viewer/embedded.html +43 -43
  9. package/lib/apps/viewer/index.html +106 -106
  10. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  11. package/lib/commonjs/apps/viewer/app.d.ts +3 -3
  12. package/lib/commonjs/apps/viewer/app.js +8 -5
  13. package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
  14. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
  15. package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
  16. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  17. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
  18. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -2
  19. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +5 -5
  20. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +2 -2
  21. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
  22. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  23. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -5
  24. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
  25. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -1
  26. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
  27. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +1 -1
  28. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +1 -1
  29. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  30. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  31. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +2 -2
  32. package/lib/commonjs/mol-geo/geometry/base.d.ts +5 -5
  33. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +3 -3
  34. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -1
  35. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
  36. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -2
  37. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
  38. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +4 -4
  39. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
  40. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
  41. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
  42. package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
  43. package/lib/commonjs/mol-gl/renderer.js +3 -3
  44. package/lib/commonjs/mol-gl/scene.d.ts +1 -1
  45. package/lib/commonjs/mol-model/loci.d.ts +20 -20
  46. package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
  47. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
  48. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
  49. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +2 -2
  50. package/lib/commonjs/mol-model/structure/structure/unit.d.ts +4 -4
  51. package/lib/commonjs/mol-model/volume/volume.d.ts +7 -0
  52. package/lib/commonjs/mol-model/volume/volume.js +18 -0
  53. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +6 -6
  54. package/lib/commonjs/mol-model-props/computed/interactions/common.d.ts +1 -1
  55. package/lib/commonjs/mol-model-props/computed/interactions/common.js +16 -24
  56. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +2 -2
  57. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
  58. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -1
  59. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
  60. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -3
  61. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -4
  62. package/lib/commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts +2 -2
  63. package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +1 -1
  64. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +2 -2
  65. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +1 -1
  66. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +4 -4
  67. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  68. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +4 -4
  69. package/lib/commonjs/mol-plugin/commands.d.ts +2 -2
  70. package/lib/commonjs/mol-plugin/config.d.ts +1 -1
  71. package/lib/commonjs/mol-plugin/layout.d.ts +4 -4
  72. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -3
  73. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -1
  74. package/lib/commonjs/mol-plugin-state/actions/volume.d.ts +1 -1
  75. package/lib/commonjs/mol-plugin-state/actions/volume.js +3 -3
  76. package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
  77. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +11 -11
  78. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +6 -6
  79. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +35 -13
  80. package/lib/commonjs/mol-plugin-state/builder/structure/representation.d.ts +1 -1
  81. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +10 -10
  82. package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -11
  83. package/lib/commonjs/mol-plugin-state/helpers/root-structure.d.ts +5 -5
  84. package/lib/commonjs/mol-plugin-state/helpers/structure-component.d.ts +2 -2
  85. package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +1 -1
  86. package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +1 -1
  87. package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +1 -1
  88. package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +7 -7
  89. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +13 -13
  90. package/lib/commonjs/mol-plugin-ui/structure/measurements.d.ts +1 -1
  91. package/lib/commonjs/mol-plugin-ui/structure/selection.d.ts +1 -1
  92. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +2 -2
  93. package/lib/commonjs/mol-repr/shape/loci/common.d.ts +2 -2
  94. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +2 -2
  95. package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +2 -2
  96. package/lib/commonjs/mol-repr/shape/loci/label.d.ts +2 -2
  97. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +2 -2
  98. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -1
  99. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -1
  100. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +7 -7
  101. package/lib/commonjs/mol-repr/structure/params.d.ts +10 -10
  102. package/lib/commonjs/mol-repr/structure/registry.d.ts +25 -25
  103. package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -3
  104. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +6 -6
  105. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -3
  106. package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -3
  107. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +6 -6
  108. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +9 -9
  109. package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +3 -3
  110. package/lib/commonjs/mol-repr/structure/representation/label.d.ts +9 -9
  111. package/lib/commonjs/mol-repr/structure/representation/line.d.ts +9 -9
  112. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +9 -9
  113. package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -3
  114. package/lib/commonjs/mol-repr/structure/representation/point.d.ts +6 -6
  115. package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -3
  116. package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -3
  117. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +10 -10
  118. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +4 -4
  119. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +2 -2
  120. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +4 -4
  121. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +2 -2
  122. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -1
  123. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -1
  124. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -1
  125. package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +1 -1
  126. package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +2 -2
  127. package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -2
  128. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -1
  129. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -2
  130. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +12 -12
  131. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  132. package/lib/commonjs/mol-repr/structure/visual/label-text.d.ts +3 -3
  133. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +3 -3
  134. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  135. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -1
  136. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -1
  137. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -1
  138. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -2
  139. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -2
  140. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -1
  141. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -1
  142. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -1
  143. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -1
  144. package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +7 -7
  145. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +5 -4
  146. package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -1
  147. package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +6 -6
  148. package/lib/commonjs/mol-repr/volume/isosurface.d.ts +12 -12
  149. package/lib/commonjs/mol-repr/volume/registry.d.ts +8 -8
  150. package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
  151. package/lib/commonjs/mol-repr/volume/slice.d.ts +12 -12
  152. package/lib/commonjs/mol-theme/color/atom-id.d.ts +2 -2
  153. package/lib/commonjs/mol-theme/color/chain-id.d.ts +2 -2
  154. package/lib/commonjs/mol-theme/color/element-index.d.ts +2 -2
  155. package/lib/commonjs/mol-theme/color/element-symbol.d.ts +44 -0
  156. package/lib/commonjs/mol-theme/color/element-symbol.js +15 -10
  157. package/lib/commonjs/mol-theme/color/entity-id.d.ts +2 -2
  158. package/lib/commonjs/mol-theme/color/entity-id.js +14 -11
  159. package/lib/commonjs/mol-theme/color/entity-source.d.ts +2 -2
  160. package/lib/commonjs/mol-theme/color/illustrative.d.ts +36 -36
  161. package/lib/commonjs/mol-theme/color/model-index.d.ts +2 -2
  162. package/lib/commonjs/mol-theme/color/operator-hkl.d.ts +2 -2
  163. package/lib/commonjs/mol-theme/color/operator-name.d.ts +2 -2
  164. package/lib/commonjs/mol-theme/color/polymer-id.d.ts +2 -2
  165. package/lib/commonjs/mol-theme/color/polymer-index.d.ts +2 -2
  166. package/lib/commonjs/mol-theme/color/unit-index.d.ts +2 -2
  167. package/lib/commonjs/mol-theme/color.d.ts +51 -29
  168. package/lib/commonjs/mol-util/clip.d.ts +1 -1
  169. package/lib/commonjs/mol-util/color/palette.d.ts +3 -3
  170. package/lib/examples/alpha-orbitals/index.html +61 -61
  171. package/lib/examples/basic-wrapper/index.html +137 -137
  172. package/lib/examples/lighting/index.html +88 -88
  173. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  174. package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +2 -2
  175. package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
  176. package/lib/mol-canvas3d/passes/draw.d.ts +1 -1
  177. package/lib/mol-canvas3d/passes/draw.js +3 -3
  178. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  179. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  180. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  181. package/lib/mol-gl/renderer.d.ts +2 -2
  182. package/lib/mol-gl/renderer.js +3 -3
  183. package/lib/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
  184. package/lib/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
  185. package/lib/mol-model/volume/volume.d.ts +7 -0
  186. package/lib/mol-model/volume/volume.js +18 -0
  187. package/lib/mol-model-props/computed/interactions/common.d.ts +1 -1
  188. package/lib/mol-model-props/computed/interactions/common.js +16 -24
  189. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -1
  190. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
  191. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
  192. package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  193. package/lib/mol-plugin/version.js +2 -2
  194. package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
  195. package/lib/mol-plugin-state/actions/volume.js +3 -3
  196. package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +27 -5
  197. package/lib/mol-plugin-state/formats/volume.js +1 -11
  198. package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
  199. package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
  200. package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
  201. package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
  202. package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
  203. package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
  204. package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
  205. package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
  206. package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
  207. package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
  208. package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
  209. package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
  210. package/lib/mol-plugin-ui/skin/base/components/viewport.scss +127 -127
  211. package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
  212. package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
  213. package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
  214. package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
  215. package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
  216. package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
  217. package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
  218. package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
  219. package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
  220. package/lib/mol-plugin-ui/skin/blue.scss +1 -1
  221. package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
  222. package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
  223. package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
  224. package/lib/mol-plugin-ui/skin/dark.scss +1 -1
  225. package/lib/mol-plugin-ui/skin/light.scss +1 -1
  226. package/lib/mol-repr/structure/visual/util/bond.d.ts +1 -1
  227. package/lib/mol-repr/structure/visual/util/bond.js +5 -4
  228. package/lib/mol-script/language/builder.d.ts +1 -0
  229. package/lib/mol-theme/color/element-symbol.d.ts +46 -2
  230. package/lib/mol-theme/color/element-symbol.js +15 -10
  231. package/lib/mol-theme/color/entity-id.js +14 -11
  232. package/lib/mol-theme/color/illustrative.d.ts +32 -32
  233. package/lib/mol-theme/color.d.ts +39 -17
  234. package/lib/servers/volume/config.js +3 -3
  235. package/lib/servers/volume/query.js +1 -1
  236. package/package.json +160 -163
  237. package/lib/commonjs/apps/docking-viewer/index.js +0 -253
  238. package/lib/commonjs/apps/docking-viewer/viewport.js +0 -326
  239. package/lib/commonjs/cli/chem-comp-dict/create-ions.d.ts +0 -7
  240. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +0 -68
  241. package/lib/commonjs/cli/chem-comp-dict/create-table.d.ts +0 -7
  242. package/lib/commonjs/cli/chem-comp-dict/create-table.js +0 -282
  243. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +0 -146
  244. package/lib/commonjs/cli/chem-comp-dict/util.js +0 -144
  245. package/lib/commonjs/cli/cif2bcif/converter.d.ts +0 -8
  246. package/lib/commonjs/cli/cif2bcif/converter.js +0 -187
  247. package/lib/commonjs/cli/cif2bcif/index.d.ts +0 -8
  248. package/lib/commonjs/cli/cif2bcif/index.js +0 -81
  249. package/lib/commonjs/cli/cifschema/index.d.ts +0 -7
  250. package/lib/commonjs/cli/cifschema/index.js +0 -397
  251. package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +0 -11
  252. package/lib/commonjs/cli/cifschema/util/cif-dic.js +0 -456
  253. package/lib/commonjs/cli/cifschema/util/generate.d.ts +0 -7
  254. package/lib/commonjs/cli/cifschema/util/generate.js +0 -158
  255. package/lib/commonjs/cli/cifschema/util/helper.d.ts +0 -10
  256. package/lib/commonjs/cli/cifschema/util/helper.js +0 -22
  257. package/lib/commonjs/cli/cifschema/util/schema.d.ts +0 -70
  258. package/lib/commonjs/cli/cifschema/util/schema.js +0 -64
  259. package/lib/commonjs/cli/lipid-params/index.d.ts +0 -7
  260. package/lib/commonjs/cli/lipid-params/index.js +0 -104
  261. package/lib/commonjs/cli/state-docs/index.js +0 -64
  262. package/lib/commonjs/cli/state-docs/pd-to-md.js +0 -80
  263. package/lib/commonjs/cli/structure-info/helpers.d.ts +0 -7
  264. package/lib/commonjs/cli/structure-info/helpers.js +0 -92
  265. package/lib/commonjs/cli/structure-info/model.js +0 -336
  266. package/lib/commonjs/cli/structure-info/volume.js +0 -115
  267. package/lib/commonjs/examples/alpha-orbitals/controls.js +0 -25
  268. package/lib/commonjs/examples/alpha-orbitals/example-data.js +0 -60260
  269. package/lib/commonjs/examples/alpha-orbitals/index.js +0 -230
  270. package/lib/commonjs/examples/basic-wrapper/coloring.js +0 -31
  271. package/lib/commonjs/examples/basic-wrapper/controls.js +0 -23
  272. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +0 -49
  273. package/lib/commonjs/examples/basic-wrapper/index.js +0 -265
  274. package/lib/commonjs/examples/basic-wrapper/superposition.js +0 -191
  275. package/lib/commonjs/examples/domain-annotation-server/mapping.d.ts +0 -6
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@@ -1,1532 +0,0 @@
1
- "use strict";
2
- /**
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- * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
- *
5
- * @author David Sehnal <david.sehnal@gmail.com>
6
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
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- */
8
- Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.getSpacegroupIndex = exports.SpacegroupNumber = exports.SpacegroupName = exports.getSpacegroupNumberFromIndex = exports.getSpacegroupIndexFromNumber = exports.SpacegroupNameToIndexMap = exports.GroupData = exports.OperatorData = exports.TransformData = void 0;
10
- exports.TransformData = [
11
- [1.0, 0.0, 0.0, 0.0],
12
- [0.0, 1.0, 0.0, 0.0],
13
- [0.0, 0.0, 1.0, 0.0],
14
- [-1.0, 0.0, 0.0, 0.0],
15
- [0.0, -1.0, 0.0, 0.0],
16
- [0.0, 0.0, -1.0, 0.0],
17
- [0.0, 1.0, 0.0, 0.5],
18
- [1.0, 0.0, 0.0, 0.5],
19
- [-1.0, 0.0, 0.0, 0.5],
20
- [0.0, 0.0, 1.0, 0.5],
21
- [0.0, -1.0, 0.0, 0.5],
22
- [0.0, 0.0, -1.0, 0.5],
23
- [1.0, 0.0, 0.0, 0.25],
24
- [0.0, -1.0, 0.0, 0.25],
25
- [0.0, 0.0, 1.0, 0.25],
26
- [-1.0, 0.0, 0.0, 0.25],
27
- [0.0, 1.0, 0.0, 0.25],
28
- [0.0, -1.0, 0.0, 0.75],
29
- [0.0, 0.0, 1.0, 0.75],
30
- [0.0, 1.0, 0.0, 0.75],
31
- [1.0, 0.0, 0.0, 0.75],
32
- [-1.0, 0.0, 0.0, 0.75],
33
- [0.0, 0.0, -1.0, 0.25],
34
- [0.0, 0.0, -1.0, 0.75],
35
- [1.0, -1.0, 0.0, 0.0],
36
- [-1.0, 1.0, 0.0, 0.0],
37
- [0.0, 0.0, 1.0, 1 / 3],
38
- [0.0, 0.0, 1.0, 2 / 3],
39
- [1.0, 0.0, 0.0, 2 / 3],
40
- [0.0, 1.0, 0.0, 1 / 3],
41
- [0.0, -1.0, 0.0, 2 / 3],
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- [1.0, -1.0, 0.0, 1 / 3],
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- [-1.0, 1.0, 0.0, 2 / 3],
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- [-1.0, 0.0, 0.0, 1 / 3],
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- [1.0, 0.0, 0.0, 1 / 3],
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- [0.0, 1.0, 0.0, 2 / 3],
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- [0.0, -1.0, 0.0, 1 / 3],
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- [1.0, -1.0, 0.0, 2 / 3],
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- [-1.0, 1.0, 0.0, 1 / 3],
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- [-1.0, 0.0, 0.0, 2 / 3],
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- [0.0, 0.0, -1.0, 1 / 3],
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- [0.0, 0.0, -1.0, 2 / 3],
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- [0.0, 0.0, 1.0, 5 / 6],
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- [0.0, 0.0, 1.0, 1 / 6],
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- [0.0, 0.0, -1.0, 5 / 6],
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- [0.0, 0.0, -1.0, 1 / 6],
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- ];
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- exports.OperatorData = [
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- [0, 1, 2],
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- [3, 4, 5],
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- [3, 1, 5],
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- [3, 6, 5],
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- [7, 6, 2],
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- [8, 6, 5],
65
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67
- [7, 10, 2],
68
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- [3, 1, 11],
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- [8, 6, 11],
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- [0, 4, 5],
77
- [3, 4, 9],
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- [7, 10, 5],
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- [8, 10, 9],
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- [8, 10, 2],
82
- [0, 6, 9],
83
- [3, 10, 9],
84
- [0, 10, 11],
85
- [7, 1, 9],
86
- [8, 1, 11],
87
- [7, 4, 11],
88
- [7, 6, 9],
89
- [7, 10, 11],
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- [3, 10, 2],
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- [8, 1, 5],
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- [0, 4, 11],
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- [3, 1, 2],
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- [3, 1, 9],
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- [7, 4, 2],
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- [8, 1, 2],
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- [8, 1, 9],
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- [3, 6, 9],
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- [7, 4, 9],
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- [8, 6, 2],
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- [8, 6, 9],
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- [3, 6, 2],
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- [12, 13, 14],
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- [15, 16, 14],
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- [12, 17, 18],
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- [15, 19, 18],
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- [20, 13, 18],
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- [21, 16, 18],
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- [20, 17, 14],
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- [21, 19, 14],
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- [0, 1, 5],
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- [8, 10, 11],
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- [7, 6, 11],
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- [7, 6, 5],
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- [12, 16, 22],
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- [6, 8, 11],
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151
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152
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153
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154
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155
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162
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163
- [10, 7, 14],
164
- [6, 8, 18],
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168
- [1, 0, 11],
169
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- [8, 6, 23],
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181
- [4, 3, 2],
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- [10, 8, 9],
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- [6, 7, 9],
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- [4, 8, 14],
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- [6, 0, 18],
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- [10, 3, 18],
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- [1, 7, 14],
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- [6, 0, 14],
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197
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199
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201
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202
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203
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204
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205
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207
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209
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210
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211
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212
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213
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214
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217
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807
- [0, 16, 74, 75, 1, 52, 88, 89, 29, 21, 82, 83, 53, 54, 90, 91],
808
- [0, 21, 84, 85, 96, 97, 88, 91, 29, 16, 86, 87, 98, 99, 90, 89],
809
- [0, 16, 74, 75, 2, 17, 100, 101],
810
- [0, 16, 94, 95, 5, 19, 100, 101],
811
- [0, 18, 76, 77, 2, 33, 102, 103],
812
- [0, 18, 104, 105, 106, 107, 100, 108],
813
- [0, 16, 78, 79, 2, 17, 109, 108],
814
- [0, 16, 82, 83, 15, 30, 100, 101],
815
- [0, 18, 80, 81, 2, 33, 110, 111],
816
- [0, 18, 112, 113, 114, 115, 100, 108],
817
- [0, 16, 74, 75, 2, 17, 100, 101, 29, 21, 82, 83, 15, 30, 116, 117],
818
- [0, 21, 84, 85, 118, 119, 116, 101, 29, 16, 86, 87, 120, 121, 100, 117],
819
- [0, 16, 74, 75, 6, 34, 122, 123],
820
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821
- [0, 16, 78, 79, 7, 35, 122, 123],
822
- [0, 16, 82, 83, 9, 42, 122, 123],
823
- [0, 16, 74, 75, 7, 35, 126, 127],
824
- [0, 16, 74, 75, 9, 42, 128, 129],
825
- [0, 16, 78, 79, 6, 34, 126, 127],
826
- [0, 16, 78, 79, 8, 41, 128, 129],
827
- [0, 16, 74, 75, 6, 34, 122, 123, 29, 21, 82, 83, 9, 42, 128, 129],
828
- [0, 16, 74, 75, 7, 35, 126, 127, 29, 21, 82, 83, 8, 41, 124, 125],
829
- [0, 21, 84, 85, 6, 42, 130, 131, 29, 16, 86, 87, 9, 34, 132, 133],
830
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831
- [0, 16, 89, 88, 2, 17, 122, 123],
832
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833
- [0, 16, 89, 88, 5, 19, 124, 125],
834
- [0, 16, 89, 88, 15, 30, 128, 129],
835
- [0, 16, 88, 89, 6, 34, 100, 101],
836
- [0, 16, 89, 88, 7, 35, 109, 108],
837
- [0, 16, 89, 88, 8, 41, 138, 139],
838
- [0, 16, 89, 88, 9, 42, 116, 117],
839
- [0, 16, 89, 88, 6, 34, 100, 101, 29, 21, 91, 90, 9, 42, 116, 117],
840
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841
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842
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843
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844
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845
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846
- [0, 16, 74, 75, 2, 17, 100, 101, 53, 54, 90, 91, 9, 42, 128, 129],
847
- [0, 16, 74, 75, 5, 19, 138, 139, 1, 52, 88, 89, 8, 41, 124, 125],
848
- [0, 16, 74, 75, 15, 30, 116, 117, 1, 52, 88, 89, 9, 42, 128, 129],
849
- [0, 16, 94, 95, 5, 19, 100, 101, 11, 55, 88, 89, 6, 34, 124, 125],
850
- [0, 16, 94, 95, 15, 30, 109, 108, 11, 55, 88, 89, 7, 35, 128, 129],
851
- [0, 16, 78, 79, 2, 17, 109, 108, 1, 52, 92, 93, 6, 34, 126, 127],
852
- [0, 16, 78, 79, 12, 33, 100, 101, 1, 52, 92, 93, 7, 35, 122, 123],
853
- [0, 16, 82, 83, 12, 33, 138, 139, 53, 54, 88, 89, 8, 41, 126, 127],
854
- [0, 16, 82, 83, 2, 17, 116, 117, 53, 54, 88, 89, 9, 42, 122, 123],
855
- [0, 16, 78, 79, 5, 19, 116, 117, 1, 52, 92, 93, 8, 41, 128, 129],
856
- [0, 16, 82, 83, 15, 30, 100, 101, 1, 52, 90, 91, 9, 42, 122, 123],
857
- [0, 16, 82, 83, 15, 30, 100, 101, 53, 54, 88, 89, 6, 34, 128, 129],
858
- [0, 16, 82, 83, 5, 19, 109, 108, 53, 54, 88, 89, 7, 35, 124, 125],
859
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860
- [0, 16, 74, 75, 12, 33, 109, 108, 1, 52, 88, 89, 7, 35, 126, 127, 29, 21, 82, 83, 5, 19, 138, 139, 53, 54, 90, 91, 8, 41, 124, 125],
861
- [0, 21, 84, 85, 118, 119, 116, 101, 96, 97, 88, 91, 9, 34, 132, 133, 29, 16, 86, 87, 120, 121, 100, 117, 98, 99, 90, 89, 6, 42, 130, 131],
862
- [0, 21, 84, 85, 142, 143, 138, 108, 96, 97, 88, 91, 8, 35, 136, 137, 29, 16, 86, 87, 144, 145, 109, 139, 98, 99, 90, 89, 7, 41, 134, 135],
863
- [0, 146, 147],
864
- [0, 148, 149],
865
- [0, 150, 151],
866
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867
- [0, 158, 159],
868
- [0, 146, 147, 1, 160, 161],
869
- [0, 146, 147, 1, 160, 161, 152, 153, 154, 162, 163, 164, 155, 156, 157, 165, 166, 167],
870
- [0, 158, 159, 1, 168, 169],
871
- [0, 146, 147, 101, 170, 171],
872
- [0, 146, 147, 100, 172, 173],
873
- [0, 148, 149, 174, 175, 171],
874
- [0, 148, 149, 100, 176, 177],
875
- [0, 150, 151, 178, 179, 171],
876
- [0, 150, 151, 100, 180, 181],
877
- [0, 146, 147, 100, 172, 173, 152, 153, 154, 182, 183, 184, 155, 156, 157, 185, 186, 187],
878
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879
- [0, 146, 147, 122, 190, 191],
880
- [0, 146, 147, 123, 192, 193],
881
- [0, 146, 147, 126, 194, 195],
882
- [0, 146, 147, 127, 196, 197],
883
- [0, 146, 147, 122, 190, 191, 152, 153, 154, 198, 199, 200, 155, 156, 157, 201, 202, 203],
884
- [0, 158, 159, 123, 204, 205],
885
- [0, 146, 147, 126, 194, 195, 152, 153, 154, 206, 207, 208, 155, 156, 157, 209, 210, 211],
886
- [0, 158, 159, 129, 212, 213],
887
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888
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889
- [0, 146, 147, 100, 172, 173, 1, 160, 161, 122, 190, 191],
890
- [0, 146, 147, 109, 216, 217, 1, 160, 161, 126, 194, 195],
891
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892
- [0, 158, 159, 101, 188, 189, 1, 168, 169, 123, 204, 205],
893
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894
- [0, 158, 159, 117, 224, 225, 1, 168, 169, 129, 212, 213],
895
- [0, 146, 147, 16, 226, 227],
896
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897
- [0, 150, 151, 18, 230, 231],
898
- [0, 150, 151, 16, 232, 233],
899
- [0, 148, 149, 16, 234, 235],
900
- [0, 146, 147, 18, 236, 237],
901
- [0, 146, 147, 52, 238, 239],
902
- [0, 146, 147, 16, 226, 227, 1, 160, 161, 52, 238, 239],
903
- [0, 146, 147, 18, 236, 237, 1, 160, 161, 61, 240, 241],
904
- [0, 146, 147, 16, 226, 227, 100, 172, 173, 101, 170, 171],
905
- [0, 148, 149, 18, 228, 229, 242, 172, 181, 243, 214, 244],
906
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907
- [0, 150, 151, 16, 232, 233, 245, 172, 177, 174, 170, 248],
908
- [0, 148, 149, 16, 234, 235, 242, 172, 181, 178, 170, 249],
909
- [0, 146, 147, 18, 236, 237, 100, 172, 173, 108, 214, 215],
910
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911
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912
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913
- [0, 146, 147, 18, 236, 237, 122, 190, 191, 127, 196, 197],
914
- [0, 146, 147, 52, 238, 239, 122, 190, 191, 101, 170, 171],
915
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916
- [0, 146, 147, 52, 238, 239, 100, 172, 173, 123, 192, 193],
917
- [0, 146, 147, 61, 240, 241, 100, 172, 173, 127, 196, 197],
918
- [0, 146, 147, 16, 226, 227, 100, 172, 173, 101, 170, 171, 1, 160, 161, 52, 239, 238, 122, 190, 191, 123, 192, 193],
919
- [0, 146, 147, 16, 226, 227, 109, 216, 217, 108, 214, 215, 1, 160, 161, 52, 239, 238, 126, 194, 195, 127, 196, 197],
920
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921
- [0, 146, 147, 18, 236, 237, 100, 172, 173, 108, 214, 215, 1, 160, 161, 61, 241, 240, 122, 190, 191, 127, 196, 197],
922
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255],
923
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924
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 29, 21, 15, 30, 280, 281, 282, 283, 284, 285, 286, 287],
925
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926
- [0, 20, 13, 19, 158, 273, 266, 259, 159, 261, 278, 271, 29, 31, 32, 33, 280, 288, 289, 290, 284, 291, 292, 293],
927
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 1, 52, 6, 34, 168, 294, 295, 296, 169, 297, 298, 299],
928
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 53, 54, 9, 42, 300, 301, 302, 303, 304, 305, 306, 307],
929
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 1, 52, 6, 34, 168, 294, 295, 296, 169, 297, 298, 299, 23, 24, 13, 25, 256, 257, 258, 259, 260, 261, 262, 263, 64, 62, 14, 39, 308, 309, 310, 311, 312, 313, 314, 315, 26, 20, 27, 28, 264, 265, 266, 267, 268, 269, 270, 271, 65, 59, 40, 38, 316, 317, 318, 319, 320, 321, 322, 323, 4, 22, 5, 19, 272, 273, 274, 275, 276, 277, 278, 279, 11, 55, 8, 41, 324, 325, 326, 327, 328, 329, 330, 331],
930
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931
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 1, 52, 6, 34, 168, 294, 295, 296, 169, 297, 298, 299, 29, 21, 15, 30, 280, 281, 282, 283, 284, 285, 286, 287, 53, 54, 9, 42, 300, 301, 302, 303, 304, 305, 306, 307],
932
- [0, 20, 13, 19, 158, 273, 266, 259, 159, 261, 278, 271, 1, 59, 14, 41, 168, 325, 318, 311, 169, 313, 330, 323],
933
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934
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 100, 101, 75, 74, 370, 371, 188, 372, 373, 374, 375, 189],
935
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 116, 117, 83, 82, 376, 377, 224, 378, 379, 380, 381, 225],
936
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 100, 101, 75, 74, 370, 371, 188, 372, 373, 374, 375, 189, 23, 24, 13, 25, 256, 257, 258, 259, 260, 261, 262, 263, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 26, 20, 27, 28, 264, 265, 266, 267, 268, 269, 270, 271, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 4, 22, 5, 19, 272, 273, 274, 275, 276, 277, 278, 279, 138, 139, 95, 94, 406, 407, 408, 409, 410, 411, 412, 413],
937
- [0, 24, 5, 28, 158, 265, 258, 275, 159, 277, 270, 263, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 23, 16, 27, 19, 256, 273, 251, 267, 260, 269, 278, 255, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 26, 22, 13, 17, 264, 250, 274, 259, 268, 261, 254, 279, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 4, 20, 2, 25, 272, 257, 266, 252, 276, 253, 262, 271, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461],
938
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 100, 101, 75, 74, 370, 371, 188, 372, 373, 374, 375, 189, 29, 21, 15, 30, 280, 281, 282, 283, 284, 285, 286, 287, 116, 117, 83, 82, 376, 377, 224, 378, 379, 380, 381, 225],
939
- [0, 20, 13, 19, 158, 273, 266, 259, 159, 261, 278, 271, 450, 415, 440, 429, 454, 431, 420, 445, 458, 447, 436, 425],
940
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941
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942
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 123, 122, 88, 89, 204, 474, 475, 476, 205, 477, 478, 479],
943
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944
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945
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 129, 128, 90, 91, 212, 512, 513, 514, 213, 515, 516, 517],
946
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947
- [0, 20, 13, 19, 158, 273, 266, 259, 159, 261, 278, 271, 550, 551, 552, 553, 554, 555, 556, 557, 558, 559, 560, 561, 29, 31, 32, 33, 280, 288, 289, 290, 284, 291, 292, 293, 562, 563, 564, 565, 566, 567, 568, 569, 570, 571, 572, 573],
948
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 100, 101, 75, 74, 370, 371, 188, 372, 373, 374, 375, 189, 1, 52, 6, 34, 168, 294, 295, 296, 169, 297, 298, 299, 122, 123, 89, 88, 475, 476, 204, 474, 479, 478, 477, 205],
949
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 100, 101, 75, 74, 370, 371, 188, 372, 373, 374, 375, 189, 53, 54, 9, 42, 300, 301, 302, 303, 304, 305, 306, 307, 128, 129, 91, 90, 513, 514, 212, 512, 517, 516, 515, 213],
950
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 116, 117, 83, 82, 376, 377, 224, 378, 379, 380, 381, 225, 1, 52, 6, 34, 168, 294, 295, 296, 169, 297, 298, 299, 128, 129, 91, 90, 513, 514, 212, 512, 517, 516, 515, 213],
951
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 116, 117, 83, 82, 376, 377, 224, 378, 379, 380, 381, 225, 53, 54, 9, 42, 300, 301, 302, 303, 304, 305, 306, 307, 122, 123, 89, 88, 475, 476, 204, 474, 479, 478, 477, 205],
952
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953
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 116, 117, 83, 82, 376, 377, 224, 378, 379, 380, 381, 225, 1, 52, 6, 34, 168, 294, 295, 296, 169, 297, 298, 299, 128, 129, 91, 90, 513, 514, 212, 512, 517, 516, 515, 213, 23, 24, 13, 25, 256, 257, 258, 259, 260, 261, 262, 263, 574, 575, 576, 577, 578, 579, 580, 581, 582, 583, 584, 585, 64, 62, 14, 39, 308, 309, 310, 311, 312, 313, 314, 315, 519, 518, 521, 520, 524, 525, 522, 523, 529, 528, 527, 526, 26, 20, 27, 28, 264, 265, 266, 267, 268, 269, 270, 271, 586, 587, 588, 589, 590, 591, 592, 593, 594, 595, 596, 597, 65, 59, 40, 38, 316, 317, 318, 319, 320, 321, 322, 323, 531, 530, 533, 532, 536, 537, 534, 535, 541, 540, 539, 538, 4, 22, 5, 19, 272, 273, 274, 275, 276, 277, 278, 279, 109, 108, 79, 78, 598, 599, 600, 601, 602, 603, 604, 605, 11, 55, 8, 41, 324, 325, 326, 327, 328, 329, 330, 331, 126, 127, 93, 92, 544, 545, 542, 543, 549, 548, 547, 546],
954
- [0, 24, 5, 28, 158, 265, 258, 275, 159, 277, 270, 263, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 66, 69, 50, 49, 332, 349, 342, 359, 336, 361, 354, 347, 493, 123, 483, 140, 498, 507, 204, 485, 503, 490, 509, 205, 23, 16, 27, 19, 256, 273, 251, 267, 260, 269, 278, 255, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 68, 67, 48, 51, 340, 357, 334, 351, 344, 353, 362, 339, 124, 480, 89, 494, 506, 499, 484, 474, 511, 478, 501, 488, 26, 22, 13, 17, 264, 250, 274, 259, 268, 261, 254, 279, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 70, 73, 46, 45, 348, 333, 358, 343, 352, 345, 338, 363, 122, 492, 141, 482, 475, 487, 496, 505, 479, 510, 489, 500, 4, 20, 2, 25, 272, 257, 266, 252, 276, 253, 262, 271, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, 72, 71, 44, 47, 356, 341, 350, 335, 360, 337, 346, 355, 481, 125, 495, 88, 486, 476, 504, 497, 491, 502, 477, 508],
955
- [0, 24, 5, 28, 158, 265, 258, 275, 159, 277, 270, 263, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 606, 607, 608, 609, 610, 611, 612, 613, 614, 615, 616, 617, 531, 129, 521, 92, 536, 545, 212, 523, 541, 528, 547, 213, 23, 16, 27, 19, 256, 273, 251, 267, 260, 269, 278, 255, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 618, 619, 620, 621, 622, 623, 624, 625, 626, 627, 628, 629, 126, 518, 91, 532, 544, 537, 522, 512, 549, 516, 539, 526, 26, 22, 13, 17, 264, 250, 274, 259, 268, 261, 254, 279, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 630, 631, 632, 633, 634, 635, 636, 637, 638, 639, 640, 641, 128, 530, 93, 520, 513, 525, 534, 543, 517, 548, 527, 538, 4, 20, 2, 25, 272, 257, 266, 252, 276, 253, 262, 271, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, 642, 643, 644, 645, 646, 647, 648, 649, 650, 651, 652, 653, 519, 127, 533, 90, 524, 514, 542, 535, 529, 540, 515, 546],
956
- [0, 16, 2, 17, 158, 250, 251, 252, 159, 253, 254, 255, 100, 101, 75, 74, 370, 371, 188, 372, 373, 374, 375, 189, 1, 52, 6, 34, 168, 294, 295, 296, 169, 297, 298, 299, 122, 123, 89, 88, 475, 476, 204, 474, 479, 478, 477, 205, 29, 21, 15, 30, 280, 281, 282, 283, 284, 285, 286, 287, 116, 117, 83, 82, 376, 377, 224, 378, 379, 380, 381, 225, 53, 54, 9, 42, 300, 301, 302, 303, 304, 305, 306, 307, 128, 129, 91, 90, 513, 514, 212, 512, 517, 516, 515, 213],
957
- [0, 20, 13, 19, 158, 273, 266, 259, 159, 261, 278, 271, 462, 463, 464, 465, 466, 467, 468, 469, 470, 471, 472, 473, 1, 59, 14, 41, 168, 325, 318, 311, 169, 313, 330, 323, 551, 550, 553, 552, 556, 557, 554, 555, 561, 560, 559, 558, 29, 31, 32, 33, 280, 288, 289, 290, 284, 291, 292, 293, 450, 415, 440, 429, 454, 431, 420, 445, 458, 447, 436, 425, 53, 63, 36, 35, 300, 364, 365, 366, 304, 367, 368, 369, 563, 562, 565, 564, 568, 569, 566, 567, 573, 572, 571, 570],
958
- [0, 16],
959
- [0, 18],
960
- [0, 16, 26, 20],
961
- [0, 2, 23, 13],
962
- [0, 3, 4, 32],
963
- [0, 2, 29, 15],
964
- [0, 3, 29, 27],
965
- [0, 52],
966
- [0, 63],
967
- [0, 52, 26, 59],
968
- [0, 63, 26, 54],
969
- [0, 52, 16, 1],
970
- [0, 18, 1, 61],
971
- [0, 52, 16, 1, 26, 59, 20, 65],
972
- [0, 31, 1, 63],
973
- [0, 1, 24, 62],
974
- [0, 15, 1, 9],
975
- // X,Y,Z
976
- // -X+1/2,Y+1/2,-Z+1/2
977
- // -X,-Y,-Z
978
- // X+1/2,-Y+1/2,Z+1/2
979
- [0, 5, 1, 8],
980
- // X,Y,Z
981
- // -X+1/2,Y+1/2,-Z
982
- // -X,-Y,-Z
983
- // X+1/2,-Y+1/2,Z
984
- [0, 31, 1, 63, 26, 21, 65, 54],
985
- [0, 2, 57, 56],
986
- [0, 60, 3, 16],
987
- [0, 22, 57, 3],
988
- [0, 2, 28, 20],
989
- [0, 17, 13, 24],
990
- [0, 20, 19, 13, 4, 24, 17, 27],
991
- [0, 22, 57, 3, 4, 16, 60, 32],
992
- [0, 22, 57, 3, 23, 20, 30, 12, 26, 24, 33, 15, 4, 16, 60, 32],
993
- [0, 22, 57, 3, 29, 18, 27, 25],
994
- [0, 22, 3, 57, 1, 55, 10, 37],
995
- [0, 22, 385, 396, 3, 57, 109, 117],
996
- [0, 22, 57, 3, 159, 279, 654, 655, 158, 274, 656, 657, 29, 18, 25, 27, 284, 658, 262, 269, 280, 659, 257, 267],
997
- ];
998
- exports.SpacegroupNameToIndexMap = {
999
- 'P 1': 0,
1000
- 'P -1': 1,
1001
- 'P 1 2 1': 2,
1002
- 'P 1 21 1': 3,
1003
- 'C 1 2 1': 4,
1004
- 'P 1 m 1': 5,
1005
- 'P 1 c 1': 6,
1006
- 'C 1 m 1': 7,
1007
- 'C 1 c 1': 8,
1008
- 'P 1 2/m 1': 9,
1009
- 'P 1 21/m 1': 10,
1010
- 'C 1 2/m 1': 11,
1011
- 'P 1 2/c 1': 12,
1012
- 'P 1 21/c 1': 13,
1013
- 'C 1 2/c 1': 14,
1014
- 'P 2 2 2': 15,
1015
- 'P 2 2 21': 16,
1016
- 'P 21 21 2': 17,
1017
- 'P 21 21 21': 18,
1018
- 'C 2 2 21': 19,
1019
- 'C 2 2 2': 20,
1020
- 'F 2 2 2': 21,
1021
- 'I 2 2 2': 22,
1022
- 'I 21 21 21': 23,
1023
- 'P m m 2': 24,
1024
- 'P m c 21': 25,
1025
- 'P c c 2': 26,
1026
- 'P m a 2': 27,
1027
- 'P c a 21': 28,
1028
- 'P n c 2': 29,
1029
- 'P m n 21': 30,
1030
- 'P b a 2': 31,
1031
- 'P n a 21': 32,
1032
- 'P n n 2': 33,
1033
- 'C m m 2': 34,
1034
- 'C m c 21': 35,
1035
- 'C c c 2': 36,
1036
- 'A m m 2': 37,
1037
- 'A b m 2': 38,
1038
- 'A m a 2': 39,
1039
- 'A b a 2': 40,
1040
- 'F m m 2': 41,
1041
- 'F d d 2': 42,
1042
- 'I m m 2': 43,
1043
- 'I b a 2': 44,
1044
- 'I m a 2': 45,
1045
- 'P 2/m 2/m 2/m': 46,
1046
- 'P m m m': 46,
1047
- 'P 2/n 2/n 2/n': 47,
1048
- 'P n n n': 47,
1049
- 'P 2/c 2/c 2/m': 48,
1050
- 'P c c m': 48,
1051
- 'P 2/b 2/a 2/n': 49,
1052
- 'P b a n': 49,
1053
- 'P 21/m 2/m 2/a': 50,
1054
- 'P m m a': 50,
1055
- 'P 2/n 21/n 2/a': 51,
1056
- 'P n n a': 51,
1057
- 'P 2/m 2/n 21/a': 52,
1058
- 'P m n a': 52,
1059
- 'P 21/c 2/c 2/a': 53,
1060
- 'P c c a': 53,
1061
- 'P 21/b 21/a 2/m': 54,
1062
- 'P b a m': 54,
1063
- 'P 21/c 21/c 2/n': 55,
1064
- 'P c c n': 55,
1065
- 'P 2/b 21/c 21/m': 56,
1066
- 'P b c m': 56,
1067
- 'P 21/n 21/n 2/m': 57,
1068
- 'P n n m': 57,
1069
- 'P 21/m 21/m 2/n': 58,
1070
- 'P m m n': 58,
1071
- 'P 21/b 2/c 21/n': 59,
1072
- 'P b c n': 59,
1073
- 'P 21/b 21/c 21/a': 60,
1074
- 'P b c a': 60,
1075
- 'P 21/n 21/m 21/a': 61,
1076
- 'P n m a': 61,
1077
- 'C 2/m 2/c 21/m': 62,
1078
- 'C m c m': 62,
1079
- 'C 2/m 2/c 21/a': 63,
1080
- 'C m c a': 63,
1081
- 'C 2/m 2/m 2/m': 64,
1082
- 'C m m m': 64,
1083
- 'C 2/c 2/c 2/m': 65,
1084
- 'C c c m': 65,
1085
- 'C 2/m 2/m 2/a': 66,
1086
- 'C m m a': 66,
1087
- 'C 2/c 2/c 2/a': 67,
1088
- 'C c c a': 67,
1089
- 'F 2/m 2/m 2/m': 68,
1090
- 'F m m m': 68,
1091
- 'F 2/d 2/d 2/d': 69,
1092
- 'F d d d': 69,
1093
- 'I 2/m 2/m 2/m': 70,
1094
- 'I m m m': 70,
1095
- 'I 2/b 2/a 2/m': 71,
1096
- 'I b a m': 71,
1097
- 'I 21/b 21/c 21/a': 72,
1098
- 'I b c a': 72,
1099
- 'I 21/m 21/m 21/a': 73,
1100
- 'I m m a': 73,
1101
- 'P 4': 74,
1102
- 'P 41': 75,
1103
- 'P 42': 76,
1104
- 'P 43': 77,
1105
- 'I 4': 78,
1106
- 'I 41': 79,
1107
- 'P -4': 80,
1108
- 'I -4': 81,
1109
- 'P 4/m': 82,
1110
- 'P 42/m': 83,
1111
- 'P 4/n': 84,
1112
- 'P 42/n': 85,
1113
- 'I 4/m': 86,
1114
- 'I 41/a': 87,
1115
- 'P 4 2 2': 88,
1116
- 'P 4 21 2': 89,
1117
- 'P 41 2 2': 90,
1118
- 'P 41 21 2': 91,
1119
- 'P 42 2 2': 92,
1120
- 'P 42 21 2': 93,
1121
- 'P 43 2 2': 94,
1122
- 'P 43 21 2': 95,
1123
- 'I 4 2 2': 96,
1124
- 'I 41 2 2': 97,
1125
- 'P 4 m m': 98,
1126
- 'P 4 b m': 99,
1127
- 'P 42 c m': 100,
1128
- 'P 42 n m': 101,
1129
- 'P 4 c c': 102,
1130
- 'P 4 n c': 103,
1131
- 'P 42 m c': 104,
1132
- 'P 42 b c': 105,
1133
- 'I 4 m m': 106,
1134
- 'I 4 c m': 107,
1135
- 'I 41 m d': 108,
1136
- 'I 41 c d': 109,
1137
- 'P -4 2 m': 110,
1138
- 'P -4 2 c': 111,
1139
- 'P -4 21 m': 112,
1140
- 'P -4 21 c': 113,
1141
- 'P -4 m 2': 114,
1142
- 'P -4 c 2': 115,
1143
- 'P -4 b 2': 116,
1144
- 'P -4 n 2': 117,
1145
- 'I -4 m 2': 118,
1146
- 'I -4 c 2': 119,
1147
- 'I -4 2 m': 120,
1148
- 'I -4 2 d': 121,
1149
- 'P 4/m 2/m 2/m': 122,
1150
- 'P4/m m m': 122,
1151
- 'P 4/m 2/c 2/c': 123,
1152
- 'P4/m c c': 123,
1153
- 'P 4/n 2/b 2/m': 124,
1154
- 'P4/n b m': 124,
1155
- 'P 4/n 2/n 2/c': 125,
1156
- 'P4/n n c': 125,
1157
- 'P 4/m 21/b 2/m': 126,
1158
- 'P4/m b m': 126,
1159
- 'P 4/m 21/n 2/c': 127,
1160
- 'P4/m n c': 127,
1161
- 'P 4/n 21/m 2/m': 128,
1162
- 'P4/n m m': 128,
1163
- 'P 4/n 2/c 2/c': 129,
1164
- 'P4/n c c': 129,
1165
- 'P 42/m 2/m 2/c': 130,
1166
- 'P42/m m c': 130,
1167
- 'P 42/m 2/c 2/m': 131,
1168
- 'P42/m c m': 131,
1169
- 'P 42/n 2/b 2/c': 132,
1170
- 'P42/n b c': 132,
1171
- 'P 42/n 2/n 2/m': 133,
1172
- 'P42/n n m': 133,
1173
- 'P 42/m 21/b 2/c': 134,
1174
- 'P42/m b c': 134,
1175
- 'P 42/m 21/n 2/m': 135,
1176
- 'P42/m n m': 135,
1177
- 'P 42/n 21/m 2/c': 136,
1178
- 'P42/n m c': 136,
1179
- 'P 42/n 21/c 2/m': 137,
1180
- 'P42/n c m': 137,
1181
- 'I 4/m 2/m 2/m': 138,
1182
- 'I4/m m m': 138,
1183
- 'I 4/m 2/c 2/m': 139,
1184
- 'I4/m c m': 139,
1185
- 'I 41/a 2/m 2/d': 140,
1186
- 'I41/a m d': 140,
1187
- 'I 41/a 2/c 2/d': 141,
1188
- 'I41/a c d': 141,
1189
- 'P 3': 142,
1190
- 'P 31': 143,
1191
- 'P 32': 144,
1192
- 'H 3': 145,
1193
- 'R 3': 146,
1194
- 'P -3': 147,
1195
- 'H -3': 148,
1196
- 'R -3': 149,
1197
- 'P 3 1 2': 150,
1198
- 'P 3 2 1': 151,
1199
- 'P 31 1 2': 152,
1200
- 'P 31 2 1': 153,
1201
- 'P 32 1 2': 154,
1202
- 'P 32 2 1': 155,
1203
- 'H 3 2': 156,
1204
- 'R 3 2': 157,
1205
- 'P 3 m 1': 158,
1206
- 'P 3 1 m': 159,
1207
- 'P 3 c 1': 160,
1208
- 'P 3 1 c': 161,
1209
- 'H 3 m': 162,
1210
- 'R 3 m': 163,
1211
- 'H 3 c': 164,
1212
- 'R 3 c': 165,
1213
- 'P -3 1 2/m': 166,
1214
- 'P -3 1 m': 166,
1215
- 'P -3 1 2/c': 167,
1216
- 'P -3 1 c': 167,
1217
- 'P -3 2/m 1': 168,
1218
- 'P -3 m 1': 168,
1219
- 'P -3 2/c 1': 169,
1220
- 'P -3 c 1': 169,
1221
- 'H -3 2/m': 170,
1222
- 'H -3 m': 170,
1223
- 'R -3 2/m': 171,
1224
- 'R -3 m': 171,
1225
- 'H -3 2/c': 172,
1226
- 'H -3 c': 172,
1227
- 'R -3 2/c': 173,
1228
- 'R -3 c': 173,
1229
- 'P 6': 174,
1230
- 'P 61': 175,
1231
- 'P 65': 176,
1232
- 'P 62': 177,
1233
- 'P 64': 178,
1234
- 'P 63': 179,
1235
- 'P -6': 180,
1236
- 'P 6/m': 181,
1237
- 'P 63/m': 182,
1238
- 'P 6 2 2': 183,
1239
- 'P 61 2 2': 184,
1240
- 'P 65 2 2': 185,
1241
- 'P 62 2 2': 186,
1242
- 'P 64 2 2': 187,
1243
- 'P 63 2 2': 188,
1244
- 'P 6 m m': 189,
1245
- 'P 6 c c': 190,
1246
- 'P 63 c m': 191,
1247
- 'P 63 m c': 192,
1248
- 'P -6 m 2': 193,
1249
- 'P -6 c 2': 194,
1250
- 'P -6 2 m': 195,
1251
- 'P -6 2 c': 196,
1252
- 'P 6/m 2/m 2/m': 197,
1253
- 'P 6/m m m': 197,
1254
- 'P 6/m 2/c 2/c': 198,
1255
- 'P 6/m c c': 198,
1256
- 'P 63/m 2/c 2/m': 199,
1257
- 'P 63/m c m': 199,
1258
- 'P 63/m 2/m 2/c': 200,
1259
- 'P 63/m m c': 200,
1260
- 'P 2 3': 201,
1261
- 'F 2 3': 202,
1262
- 'I 2 3': 203,
1263
- 'P 21 3': 204,
1264
- 'I 21 3': 205,
1265
- 'P 2/m -3': 206,
1266
- 'P m -3': 206,
1267
- 'P 2/n -3': 207,
1268
- 'P n -3': 207,
1269
- 'F 2/m -3': 208,
1270
- 'F m -3': 208,
1271
- 'F 2/d -3': 209,
1272
- 'F d -3': 209,
1273
- 'I 2/m -3': 210,
1274
- 'I m -3': 210,
1275
- 'P 21/a -3': 211,
1276
- 'P a -3': 211,
1277
- 'I 21/a -3': 212,
1278
- 'I a -3': 212,
1279
- 'P 4 3 2': 213,
1280
- 'P 42 3 2': 214,
1281
- 'F 4 3 2': 215,
1282
- 'F 41 3 2': 216,
1283
- 'I 4 3 2': 217,
1284
- 'P 43 3 2': 218,
1285
- 'P 41 3 2': 219,
1286
- 'I 41 3 2': 220,
1287
- 'P -4 3 m': 221,
1288
- 'F -4 3 m': 222,
1289
- 'I -4 3 m': 223,
1290
- 'P -4 3 n': 224,
1291
- 'F -4 3 c': 225,
1292
- 'I -4 3 d': 226,
1293
- 'P 4/m -3 2/m': 227,
1294
- 'P m -3 m': 227,
1295
- 'P 4/n -3 2/n': 228,
1296
- 'P n -3 n': 228,
1297
- 'P 42/m -3 2/n': 229,
1298
- 'P m -3 n': 229,
1299
- 'P 42/n -3 2/m': 230,
1300
- 'P n -3 m': 230,
1301
- 'F 4/m -3 2/m': 231,
1302
- 'F m -3 m': 231,
1303
- 'F 4/m -3 2/c': 232,
1304
- 'F m -3 c': 232,
1305
- 'F 41/d -3 2/m': 233,
1306
- 'F d -3 m': 233,
1307
- 'F 41/d -3 2/c': 234,
1308
- 'F d -3 c': 234,
1309
- 'I 4/m -3 2/m': 235,
1310
- 'I m -3 m': 235,
1311
- 'I 41/a -3 2/d': 236,
1312
- 'I a -3 d': 236,
1313
- 'P 1 1 2': 237,
1314
- 'P 1 1 21': 238,
1315
- 'B 1 1 2': 239,
1316
- 'B 2': 239,
1317
- 'A 1 2 1': 240,
1318
- 'C 1 21 1': 241,
1319
- 'I 1 2 1': 242,
1320
- 'I 2': 242,
1321
- 'I 1 21 1': 243,
1322
- 'P 1 1 m': 244,
1323
- 'P 1 1 b': 245,
1324
- 'B 1 1 m': 246,
1325
- 'B 1 1 b': 247,
1326
- 'P 1 1 2/m': 248,
1327
- 'P 1 1 21/m': 249,
1328
- 'B 1 1 2/m': 250,
1329
- 'P 1 1 2/b': 251,
1330
- 'P 1 1 21/b': 252,
1331
- 'P 1 21/n 1': 253,
1332
- 'P 1 21/a 1': 254,
1333
- 'B 1 1 2/b': 255,
1334
- 'P 21 2 2': 256,
1335
- 'P 2 21 2': 257,
1336
- 'P 21 21 2 (a)': 258,
1337
- 'P 21 2 21': 259,
1338
- 'P 2 21 21': 260,
1339
- 'C 2 2 21a)': 261,
1340
- 'C 2 2 2a': 262,
1341
- 'F 2 2 2a': 263,
1342
- 'I 2 2 2a': 264,
1343
- 'P 21/m 21/m 2/n a': 265,
1344
- 'P 42 21 2a': 266,
1345
- 'I 2 3a': 267,
1346
- };
1347
- function getSpacegroupIndexFromNumber(num) {
1348
- // 38 spacegroup variants as given CCP4s symop.lib
1349
- switch (num) {
1350
- case 1146: return 146;
1351
- case 1148: return 149;
1352
- case 1155: return 157;
1353
- case 1160: return 163;
1354
- case 1161: return 165;
1355
- case 1166: return 171;
1356
- case 1167: return 173;
1357
- case 1003: return 237; // 'P 1 1 2' !(dyad along z)
1358
- case 1004: return 238; // 'P 1 1 21' !(unique axis c)
1359
- case 1005: return 239; // 'B 1 1 2' 'B 2'
1360
- case 2005: return 240; // 'A 1 2 1'
1361
- case 3005: return 241; // 'C 1 21 1' ! (Origin on screw at 1/4X)
1362
- case 4005: return 242; // 'I 1 2 1' 'I 2' !!! GJK @ 2003-06-02
1363
- case 5005: return 243; // 'I 1 21 1'
1364
- case 1006: return 244; // 'P 1 1 m'
1365
- case 1007: return 245; // 'P 1 1 b'
1366
- case 1008: return 246; // 'B 1 1 m'
1367
- case 1009: return 247; // 'B 1 1 b'
1368
- case 1010: return 248; // 'P 1 1 2/m'
1369
- case 1011: return 249; // 'P 1 1 21/m'
1370
- case 1012: return 250; // 'B 1 1 2/m'
1371
- case 1013: return 251; // 'P 1 1 2/b'
1372
- case 1014: return 252; // 'P 1 1 21/b'
1373
- case 2014: return 253; // 'P 1 21/n 1'
1374
- case 3014: return 254; // 'P 1 21/a 1'
1375
- case 1015: return 255; // 'B 1 1 2/b'
1376
- case 1017: return 256; // 'P 21 2 2' !(unique axis a)
1377
- case 2017: return 257; // 'P 2 21 2' !(unique axis b)
1378
- case 1018: return 258; // 'P 21 21 2 (a)' ! origin on 21 21, shift (1/4,1/4,0)
1379
- case 2018: return 259; // 'P 21 2 21' !(unique axis b)
1380
- case 3018: return 260; // 'P 2 21 21' !(unique axis a)
1381
- case 1020: return 261; // 'C 2 2 21a)' ! P212121 with C centring, shift(1/4,0,0)
1382
- case 1021: return 262; // 'C 2 2 2a' ! C21212a origin on 21 21
1383
- case 1022: return 263; // 'F 2 2 2a' ! same as 1018 with face centring shift (1/4,0,0)
1384
- case 1023: return 264; // 'I 2 2 2a' ! as 1018 with origin shift (1/4,1/4,1/4)
1385
- case 1059: return 265; // 'P 21/m 21/m 2/n a'
1386
- case 1094: return 266; // 'P 42 21 2a' ! (as P21212a) origin on 21 21 ie Shift 1/4,1/4,1/4
1387
- case 1197: return 267; // 'I 2 3a' ! Expansion of 1023 which is an expansion of 1018
1388
- }
1389
- var offset = 0;
1390
- if (num > 146)
1391
- ++offset;
1392
- if (num > 148)
1393
- ++offset;
1394
- if (num > 155)
1395
- ++offset;
1396
- if (num > 160)
1397
- ++offset;
1398
- if (num > 161)
1399
- ++offset;
1400
- if (num > 166)
1401
- ++offset;
1402
- if (num > 167)
1403
- ++offset;
1404
- return num - 1 + offset;
1405
- }
1406
- exports.getSpacegroupIndexFromNumber = getSpacegroupIndexFromNumber;
1407
- function getSpacegroupNumberFromIndex(idx) {
1408
- if (idx < 146)
1409
- return idx + 1;
1410
- if (idx === 146)
1411
- return 1146;
1412
- if (idx < 149)
1413
- return idx + 1 - 1;
1414
- if (idx === 149)
1415
- return 1148;
1416
- if (idx < 157)
1417
- return idx + 1 - 2;
1418
- if (idx === 157)
1419
- return 1155;
1420
- if (idx < 163)
1421
- return idx + 1 - 3;
1422
- if (idx === 163)
1423
- return 1160;
1424
- if (idx < 165)
1425
- return idx + 1 - 4;
1426
- if (idx === 165)
1427
- return 1161;
1428
- if (idx < 171)
1429
- return idx + 1 - 5;
1430
- if (idx === 171)
1431
- return 1166;
1432
- if (idx < 173)
1433
- return idx + 1 - 6;
1434
- if (idx === 173)
1435
- return 1167;
1436
- if (idx < 237)
1437
- return idx + 1 - 7;
1438
- if (idx === 237)
1439
- return 1003;
1440
- if (idx === 238)
1441
- return 1004;
1442
- if (idx === 239)
1443
- return 1005;
1444
- if (idx === 240)
1445
- return 2005;
1446
- if (idx === 241)
1447
- return 3005;
1448
- if (idx === 242)
1449
- return 4005;
1450
- if (idx === 243)
1451
- return 5005;
1452
- if (idx === 244)
1453
- return 1006;
1454
- if (idx === 245)
1455
- return 1007;
1456
- if (idx === 246)
1457
- return 1008;
1458
- if (idx === 247)
1459
- return 1009;
1460
- if (idx === 248)
1461
- return 1010;
1462
- if (idx === 249)
1463
- return 1011;
1464
- if (idx === 250)
1465
- return 1012;
1466
- if (idx === 251)
1467
- return 1013;
1468
- if (idx === 252)
1469
- return 1014;
1470
- if (idx === 253)
1471
- return 2014;
1472
- if (idx === 254)
1473
- return 3014;
1474
- if (idx === 255)
1475
- return 1015;
1476
- if (idx === 256)
1477
- return 1017;
1478
- if (idx === 257)
1479
- return 2017;
1480
- if (idx === 258)
1481
- return 1018;
1482
- if (idx === 259)
1483
- return 2018;
1484
- if (idx === 260)
1485
- return 3018;
1486
- if (idx === 261)
1487
- return 1020;
1488
- if (idx === 262)
1489
- return 1021;
1490
- if (idx === 263)
1491
- return 1022;
1492
- if (idx === 264)
1493
- return 1023;
1494
- if (idx === 265)
1495
- return 1059;
1496
- if (idx === 266)
1497
- return 1094;
1498
- if (idx === 267)
1499
- return 1197;
1500
- throw new Error("unknown spacegroup index '".concat(idx, "'"));
1501
- }
1502
- exports.getSpacegroupNumberFromIndex = getSpacegroupNumberFromIndex;
1503
- /** Maps spacegroup index to Hermann-Mauguin spacegroup name */
1504
- exports.SpacegroupName = (function () {
1505
- var names = Object.create(null);
1506
- for (var _i = 0, _a = Object.keys(exports.SpacegroupNameToIndexMap); _i < _a.length; _i++) {
1507
- var n = _a[_i];
1508
- names[exports.SpacegroupNameToIndexMap[n]] = n;
1509
- }
1510
- return names;
1511
- }());
1512
- /** Maps spacegroup index to spacegroup number from International Tables for Crystallography */
1513
- exports.SpacegroupNumber = (function () {
1514
- var numbers = Object.create(null);
1515
- for (var _i = 0, _a = Object.keys(exports.SpacegroupNameToIndexMap); _i < _a.length; _i++) {
1516
- var n = _a[_i];
1517
- var idx = exports.SpacegroupNameToIndexMap[n];
1518
- numbers[idx] = getSpacegroupNumberFromIndex(idx);
1519
- }
1520
- return numbers;
1521
- }());
1522
- /** return -1 if the spacegroup does not exist */
1523
- function getSpacegroupIndex(nameOrNumber) {
1524
- var index = typeof nameOrNumber === 'number'
1525
- ? getSpacegroupIndexFromNumber(nameOrNumber)
1526
- : exports.SpacegroupNameToIndexMap[nameOrNumber];
1527
- if (typeof index === 'undefined' || typeof exports.SpacegroupName[index] === 'undefined')
1528
- return -1;
1529
- return index;
1530
- }
1531
- exports.getSpacegroupIndex = getSpacegroupIndex;
1532
- //# sourceMappingURL=tables.js.map