molstar 3.0.0-dev.7 → 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 (2051) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +194 -187
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -102
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/viewer/app.d.ts +230 -0
  8. package/lib/apps/viewer/app.js +528 -0
  9. package/lib/apps/viewer/embedded.html +43 -43
  10. package/lib/apps/viewer/index.d.ts +2 -224
  11. package/lib/apps/viewer/index.html +106 -102
  12. package/lib/apps/viewer/index.js +2 -507
  13. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  14. package/lib/commonjs/apps/viewer/app.d.ts +230 -0
  15. package/lib/commonjs/apps/viewer/app.js +534 -0
  16. package/lib/commonjs/apps/viewer/index.d.ts +2 -224
  17. package/lib/commonjs/apps/viewer/index.js +2 -510
  18. package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
  19. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
  20. package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
  21. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  22. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
  23. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -2
  24. package/lib/commonjs/extensions/model-export/export.d.ts +9 -0
  25. package/lib/commonjs/extensions/model-export/index.d.ts +7 -0
  26. package/lib/commonjs/extensions/model-export/ui.d.ts +11 -0
  27. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +5 -5
  28. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +2 -2
  29. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
  30. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  31. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -5
  32. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +17 -9
  33. package/lib/commonjs/mol-canvas3d/canvas3d.js +32 -28
  34. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
  35. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -1
  36. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
  37. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +1 -1
  38. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +14 -2
  39. package/lib/commonjs/mol-canvas3d/passes/draw.js +19 -18
  40. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  41. package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
  42. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +9 -2
  43. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +14 -12
  44. package/lib/commonjs/mol-canvas3d/passes/pick.js +3 -3
  45. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +2 -2
  46. package/lib/commonjs/mol-geo/geometry/base.d.ts +5 -5
  47. package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
  48. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +3 -3
  49. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +6 -39
  50. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
  51. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -2
  52. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
  53. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +4 -4
  54. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
  55. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
  56. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
  57. package/lib/commonjs/mol-gl/renderable/image.d.ts +1 -0
  58. package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
  59. package/lib/commonjs/mol-gl/renderer.js +15 -22
  60. package/lib/commonjs/mol-gl/scene.d.ts +1 -1
  61. package/lib/commonjs/mol-model/loci.d.ts +20 -20
  62. package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
  63. package/lib/commonjs/mol-model/structure/export/mmcif.d.ts +1 -1
  64. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
  65. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
  66. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +3 -2
  67. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
  68. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  69. package/lib/commonjs/mol-model/structure/structure/unit.d.ts +4 -4
  70. package/lib/commonjs/mol-model/volume/volume.d.ts +7 -0
  71. package/lib/commonjs/mol-model/volume/volume.js +18 -0
  72. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +6 -6
  73. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +2 -2
  74. package/lib/commonjs/mol-model-formats/structure/basic/coarse.d.ts +1 -1
  75. package/lib/commonjs/mol-model-formats/structure/basic/entities.d.ts +2 -1
  76. package/lib/commonjs/mol-model-formats/structure/basic/properties.d.ts +6 -1
  77. package/lib/commonjs/mol-model-formats/structure/mol.d.ts +2 -1
  78. package/lib/commonjs/mol-model-formats/structure/mol2.d.ts +1 -1
  79. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  80. package/lib/commonjs/mol-model-props/common/custom-property.d.ts +1 -1
  81. package/lib/commonjs/mol-model-props/computed/interactions/common.d.ts +1 -1
  82. package/lib/commonjs/mol-model-props/computed/interactions/common.js +16 -24
  83. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +2 -2
  84. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
  85. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +2 -2
  86. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +38 -13
  87. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -3
  88. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -4
  89. package/lib/commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts +2 -2
  90. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -0
  91. package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +1 -1
  92. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +2 -2
  93. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +1 -1
  94. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +4 -4
  95. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  96. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +4 -4
  97. package/lib/commonjs/mol-plugin/commands.d.ts +8 -4
  98. package/lib/commonjs/mol-plugin/config.d.ts +1 -2
  99. package/lib/commonjs/mol-plugin/config.js +4 -25
  100. package/lib/commonjs/mol-plugin/layout.d.ts +4 -4
  101. package/lib/commonjs/mol-plugin/spec.d.ts +1 -1
  102. package/lib/commonjs/mol-plugin/spec.js +3 -1
  103. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -3
  104. package/lib/commonjs/mol-plugin-state/actions/file.d.ts +3 -2
  105. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +2 -1
  106. package/lib/commonjs/mol-plugin-state/actions/volume.d.ts +1 -1
  107. package/lib/commonjs/mol-plugin-state/actions/volume.js +3 -3
  108. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  109. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  110. package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
  111. package/lib/commonjs/mol-plugin-state/animation/model.d.ts +4 -0
  112. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +11 -11
  113. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +6 -6
  114. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +179 -13
  115. package/lib/commonjs/mol-plugin-state/builder/structure/representation.d.ts +1 -1
  116. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +10 -10
  117. package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -11
  118. package/lib/commonjs/mol-plugin-state/helpers/root-structure.d.ts +5 -5
  119. package/lib/commonjs/mol-plugin-state/helpers/structure-component.d.ts +2 -2
  120. package/lib/commonjs/mol-plugin-state/manager/animation.d.ts +5 -1
  121. package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +1 -1
  122. package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +1 -1
  123. package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +1 -1
  124. package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +7 -7
  125. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +13 -13
  126. package/lib/commonjs/mol-plugin-ui/structure/measurements.d.ts +1 -1
  127. package/lib/commonjs/mol-plugin-ui/structure/selection.d.ts +1 -1
  128. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
  129. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +2 -2
  130. package/lib/commonjs/mol-repr/shape/loci/common.d.ts +2 -2
  131. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +2 -2
  132. package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +2 -2
  133. package/lib/commonjs/mol-repr/shape/loci/label.d.ts +2 -2
  134. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +2 -2
  135. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -1
  136. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -1
  137. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +8 -26
  138. package/lib/commonjs/mol-repr/structure/params.d.ts +11 -29
  139. package/lib/commonjs/mol-repr/structure/registry.d.ts +26 -44
  140. package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -3
  141. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +6 -6
  142. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -3
  143. package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -3
  144. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +6 -6
  145. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +9 -9
  146. package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +7 -61
  147. package/lib/commonjs/mol-repr/structure/representation/label.d.ts +9 -9
  148. package/lib/commonjs/mol-repr/structure/representation/line.d.ts +9 -9
  149. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +9 -9
  150. package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -3
  151. package/lib/commonjs/mol-repr/structure/representation/point.d.ts +6 -6
  152. package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -3
  153. package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -3
  154. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +11 -29
  155. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +4 -4
  156. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +2 -2
  157. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +4 -4
  158. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +2 -2
  159. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +2 -2
  160. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +2 -2
  161. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +2 -2
  162. package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +1 -1
  163. package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +2 -2
  164. package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -2
  165. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -1
  166. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +4 -40
  167. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +12 -12
  168. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  169. package/lib/commonjs/mol-repr/structure/visual/label-text.d.ts +3 -3
  170. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +3 -3
  171. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  172. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -1
  173. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -1
  174. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -1
  175. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -2
  176. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -2
  177. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -1
  178. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -1
  179. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -1
  180. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -1
  181. package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +7 -7
  182. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +5 -4
  183. package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +4 -3
  184. package/lib/commonjs/mol-repr/structure/visual/util/gaussian.d.ts +7 -6
  185. package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.d.ts +2 -1
  186. package/lib/commonjs/mol-repr/visual.d.ts +1 -1
  187. package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +9 -63
  188. package/lib/commonjs/mol-repr/volume/isosurface.d.ts +12 -12
  189. package/lib/commonjs/mol-repr/volume/registry.d.ts +9 -27
  190. package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
  191. package/lib/commonjs/mol-repr/volume/slice.d.ts +12 -12
  192. package/lib/commonjs/mol-state/tree/immutable.d.ts +18 -0
  193. package/lib/commonjs/mol-state/tree/transient.d.ts +3 -4
  194. package/lib/commonjs/mol-theme/color/atom-id.d.ts +2 -2
  195. package/lib/commonjs/mol-theme/color/chain-id.d.ts +2 -2
  196. package/lib/commonjs/mol-theme/color/element-index.d.ts +2 -2
  197. package/lib/commonjs/mol-theme/color/element-symbol.d.ts +287 -1
  198. package/lib/commonjs/mol-theme/color/element-symbol.js +25 -15
  199. package/lib/commonjs/mol-theme/color/entity-id.d.ts +3 -3
  200. package/lib/commonjs/mol-theme/color/entity-id.js +29 -5
  201. package/lib/commonjs/mol-theme/color/entity-source.d.ts +2 -2
  202. package/lib/commonjs/mol-theme/color/illustrative.d.ts +100 -29
  203. package/lib/commonjs/mol-theme/color/illustrative.js +26 -7
  204. package/lib/commonjs/mol-theme/color/model-index.d.ts +2 -2
  205. package/lib/commonjs/mol-theme/color/molecule-type.d.ts +19 -1
  206. package/lib/commonjs/mol-theme/color/operator-hkl.d.ts +2 -2
  207. package/lib/commonjs/mol-theme/color/operator-name.d.ts +2 -2
  208. package/lib/commonjs/mol-theme/color/polymer-id.d.ts +2 -2
  209. package/lib/commonjs/mol-theme/color/polymer-index.d.ts +2 -2
  210. package/lib/commonjs/mol-theme/color/residue-name.d.ts +77 -1
  211. package/lib/commonjs/mol-theme/color/secondary-structure.d.ts +27 -1
  212. package/lib/commonjs/mol-theme/color/unit-index.d.ts +2 -2
  213. package/lib/commonjs/mol-theme/color/volume-value.d.ts +17 -0
  214. package/lib/commonjs/mol-theme/color.d.ts +266 -25
  215. package/lib/commonjs/mol-theme/color.js +2 -0
  216. package/lib/commonjs/mol-util/clip.d.ts +1 -1
  217. package/lib/commonjs/mol-util/color/palette.d.ts +3 -3
  218. package/lib/commonjs/mol-util/color/params.d.ts +10 -0
  219. package/lib/examples/alpha-orbitals/index.html +61 -61
  220. package/lib/examples/alpha-orbitals/index.js +1 -1
  221. package/lib/examples/basic-wrapper/index.html +137 -137
  222. package/lib/examples/basic-wrapper/index.js +7 -3
  223. package/lib/examples/lighting/index.html +88 -88
  224. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  225. package/lib/examples/proteopedia-wrapper/index.js +7 -1
  226. package/lib/extensions/anvil/representation.js +1 -1
  227. package/lib/extensions/geo-export/mesh-exporter.js +4 -4
  228. package/lib/extensions/model-export/export.d.ts +9 -0
  229. package/lib/extensions/model-export/export.js +125 -0
  230. package/lib/extensions/model-export/index.d.ts +7 -0
  231. package/lib/extensions/model-export/index.js +33 -0
  232. package/lib/extensions/model-export/ui.d.ts +11 -0
  233. package/lib/extensions/model-export/ui.js +74 -0
  234. package/lib/extensions/mp4-export/encoder.js +1 -1
  235. package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +2 -2
  236. package/lib/extensions/rcsb/graphql/types.d.ts +2 -2
  237. package/lib/mol-canvas3d/canvas3d.d.ts +13 -5
  238. package/lib/mol-canvas3d/canvas3d.js +32 -28
  239. package/lib/mol-canvas3d/controls/trackball.d.ts +9 -4
  240. package/lib/mol-canvas3d/controls/trackball.js +51 -12
  241. package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
  242. package/lib/mol-canvas3d/passes/draw.d.ts +14 -2
  243. package/lib/mol-canvas3d/passes/draw.js +19 -18
  244. package/lib/mol-canvas3d/passes/image.js +3 -2
  245. package/lib/mol-canvas3d/passes/marking.js +1 -1
  246. package/lib/mol-canvas3d/passes/multi-sample.d.ts +9 -2
  247. package/lib/mol-canvas3d/passes/multi-sample.js +14 -12
  248. package/lib/mol-canvas3d/passes/pick.js +2 -2
  249. package/lib/mol-geo/geometry/color-data.d.ts +1 -1
  250. package/lib/mol-geo/geometry/color-data.js +22 -0
  251. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  252. package/lib/mol-geo/geometry/cylinders/cylinders.js +1 -1
  253. package/lib/mol-geo/geometry/direct-volume/direct-volume.d.ts +5 -38
  254. package/lib/mol-geo/geometry/direct-volume/direct-volume.js +22 -67
  255. package/lib/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
  256. package/lib/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
  257. package/lib/mol-geo/geometry/image/image.js +1 -1
  258. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  259. package/lib/mol-geo/geometry/lines/lines.js +1 -1
  260. package/lib/mol-geo/geometry/marker-data.js +13 -5
  261. package/lib/mol-geo/geometry/mesh/mesh.js +1 -1
  262. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  263. package/lib/mol-geo/geometry/points/points.js +1 -1
  264. package/lib/mol-geo/geometry/size-data.js +5 -5
  265. package/lib/mol-geo/geometry/spheres/spheres.js +1 -1
  266. package/lib/mol-geo/geometry/text/text.js +1 -1
  267. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +1 -1
  268. package/lib/mol-gl/compute/histogram-pyramid/sum.js +2 -2
  269. package/lib/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
  270. package/lib/mol-gl/compute/marching-cubes/isosurface.js +10 -9
  271. package/lib/mol-gl/renderable/cylinders.d.ts +1 -0
  272. package/lib/mol-gl/renderable/direct-volume.d.ts +6 -10
  273. package/lib/mol-gl/renderable/direct-volume.js +1 -1
  274. package/lib/mol-gl/renderable/image.d.ts +1 -0
  275. package/lib/mol-gl/renderable/lines.d.ts +1 -0
  276. package/lib/mol-gl/renderable/mesh.d.ts +1 -0
  277. package/lib/mol-gl/renderable/points.d.ts +1 -0
  278. package/lib/mol-gl/renderable/schema.d.ts +1 -0
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  2051. package/lib/mol-util/float-packing.d.ts +0 -15
@@ -1,187 +0,0 @@
1
- "use strict";
2
- /**
3
- * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
- *
5
- * @author David Sehnal <david.sehnal@gmail.com>
6
- * @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
7
- */
8
- Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.convert = void 0;
10
- var tslib_1 = require("tslib");
11
- var cif_1 = require("../../mol-io/reader/cif");
12
- var cif_2 = require("../../mol-io/writer/cif");
13
- var util = (0, tslib_1.__importStar)(require("util"));
14
- var fs = (0, tslib_1.__importStar)(require("fs"));
15
- var zlib = (0, tslib_1.__importStar)(require("zlib"));
16
- var mol_task_1 = require("../../mol-task");
17
- var binary_cif_1 = require("../../mol-io/common/binary-cif");
18
- var encoder_1 = require("../../mol-io/writer/cif/encoder");
19
- function showProgress(p) {
20
- process.stdout.write("\r".concat(new Array(80).join(' ')));
21
- process.stdout.write("\r".concat(mol_task_1.Progress.format(p)));
22
- }
23
- var readFileAsync = util.promisify(fs.readFile);
24
- var unzipAsync = util.promisify(zlib.unzip);
25
- function readFile(ctx, filename) {
26
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
27
- var isGz, input, str, data, _a;
28
- return (0, tslib_1.__generator)(this, function (_b) {
29
- switch (_b.label) {
30
- case 0:
31
- isGz = /\.gz$/i.test(filename);
32
- if (!filename.match(/\.bcif/)) return [3 /*break*/, 5];
33
- return [4 /*yield*/, readFileAsync(filename)];
34
- case 1:
35
- input = _b.sent();
36
- if (!isGz) return [3 /*break*/, 3];
37
- return [4 /*yield*/, unzipAsync(input)];
38
- case 2:
39
- input = _b.sent();
40
- _b.label = 3;
41
- case 3: return [4 /*yield*/, cif_1.CIF.parseBinary(new Uint8Array(input)).runInContext(ctx)];
42
- case 4: return [2 /*return*/, _b.sent()];
43
- case 5:
44
- str = void 0;
45
- if (!isGz) return [3 /*break*/, 8];
46
- _a = unzipAsync;
47
- return [4 /*yield*/, readFileAsync(filename)];
48
- case 6: return [4 /*yield*/, _a.apply(void 0, [_b.sent()])];
49
- case 7:
50
- data = _b.sent();
51
- str = data.toString('utf8');
52
- return [3 /*break*/, 10];
53
- case 8: return [4 /*yield*/, readFileAsync(filename, 'utf8')];
54
- case 9:
55
- str = _b.sent();
56
- _b.label = 10;
57
- case 10: return [4 /*yield*/, cif_1.CIF.parseText(str).runInContext(ctx)];
58
- case 11: return [2 /*return*/, _b.sent()];
59
- }
60
- });
61
- });
62
- }
63
- function getCIF(ctx, filename) {
64
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
65
- var parsed;
66
- return (0, tslib_1.__generator)(this, function (_a) {
67
- switch (_a.label) {
68
- case 0: return [4 /*yield*/, readFile(ctx, filename)];
69
- case 1:
70
- parsed = _a.sent();
71
- if (parsed.isError) {
72
- throw new Error(parsed.toString());
73
- }
74
- return [2 /*return*/, parsed.result];
75
- }
76
- });
77
- });
78
- }
79
- function getCategoryInstanceProvider(cat, fields) {
80
- return {
81
- name: cat.name,
82
- instance: function () { return cif_2.CifWriter.categoryInstance(fields, { data: cat, rowCount: cat.rowCount }); }
83
- };
84
- }
85
- function classify(name, field) {
86
- var type = (0, cif_1.getCifFieldType)(field);
87
- if (type['@type'] === 'str') {
88
- return { name: name, type: 0 /* Str */, value: field.str, valueKind: field.valueKind };
89
- }
90
- else if (type['@type'] === 'float') {
91
- var encoder = (0, binary_cif_1.classifyFloatArray)(field.toFloatArray({ array: Float64Array }));
92
- return cif_2.CifWriter.Field.float(name, field.float, { valueKind: field.valueKind, encoder: encoder, typedArray: Float64Array });
93
- }
94
- else {
95
- var encoder = (0, binary_cif_1.classifyIntArray)(field.toIntArray({ array: Int32Array }));
96
- return cif_2.CifWriter.Field.int(name, field.int, { valueKind: field.valueKind, encoder: encoder, typedArray: Int32Array });
97
- }
98
- }
99
- function convert(path, asText, hints, filter) {
100
- var _this = this;
101
- if (asText === void 0) { asText = false; }
102
- return mol_task_1.Task.create('BinaryCIF', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
103
- var encodingProvider, cif, encoder, maxProgress, _i, _a, b, _b, _c, c, current, _d, _e, b, _f, _g, c, cat, fields, _h, _j, f, ret;
104
- return (0, tslib_1.__generator)(this, function (_k) {
105
- switch (_k.label) {
106
- case 0:
107
- encodingProvider = hints
108
- ? cif_2.CifWriter.createEncodingProviderFromJsonConfig(hints)
109
- : { get: function (c, f) { return void 0; } };
110
- return [4 /*yield*/, getCIF(ctx, path)];
111
- case 1:
112
- cif = _k.sent();
113
- encoder = cif_2.CifWriter.createEncoder({
114
- binary: !asText,
115
- encoderName: 'mol*/ciftools cif2bcif',
116
- binaryAutoClassifyEncoding: true,
117
- binaryEncodingPovider: encodingProvider
118
- });
119
- if (filter) {
120
- encoder.setFilter(encoder_1.Category.filterOf(filter));
121
- }
122
- maxProgress = 0;
123
- for (_i = 0, _a = cif.blocks; _i < _a.length; _i++) {
124
- b = _a[_i];
125
- maxProgress += b.categoryNames.length;
126
- for (_b = 0, _c = b.categoryNames; _b < _c.length; _b++) {
127
- c = _c[_b];
128
- maxProgress += b.categories[c].fieldNames.length;
129
- }
130
- }
131
- current = 0;
132
- _d = 0, _e = cif.blocks;
133
- _k.label = 2;
134
- case 2:
135
- if (!(_d < _e.length)) return [3 /*break*/, 11];
136
- b = _e[_d];
137
- encoder.startDataBlock(b.header);
138
- _f = 0, _g = b.categoryNames;
139
- _k.label = 3;
140
- case 3:
141
- if (!(_f < _g.length)) return [3 /*break*/, 10];
142
- c = _g[_f];
143
- cat = b.categories[c];
144
- fields = [];
145
- _h = 0, _j = cat.fieldNames;
146
- _k.label = 4;
147
- case 4:
148
- if (!(_h < _j.length)) return [3 /*break*/, 7];
149
- f = _j[_h];
150
- fields.push(classify(f, cat.getField(f)));
151
- current++;
152
- if (!ctx.shouldUpdate) return [3 /*break*/, 6];
153
- return [4 /*yield*/, ctx.update({ message: 'Encoding...', current: current, max: maxProgress })];
154
- case 5:
155
- _k.sent();
156
- _k.label = 6;
157
- case 6:
158
- _h++;
159
- return [3 /*break*/, 4];
160
- case 7:
161
- encoder.writeCategory(getCategoryInstanceProvider(b.categories[c], fields));
162
- current++;
163
- if (!ctx.shouldUpdate) return [3 /*break*/, 9];
164
- return [4 /*yield*/, ctx.update({ message: 'Encoding...', current: current, max: maxProgress })];
165
- case 8:
166
- _k.sent();
167
- _k.label = 9;
168
- case 9:
169
- _f++;
170
- return [3 /*break*/, 3];
171
- case 10:
172
- _d++;
173
- return [3 /*break*/, 2];
174
- case 11: return [4 /*yield*/, ctx.update('Exporting...')];
175
- case 12:
176
- _k.sent();
177
- ret = encoder.getData();
178
- return [4 /*yield*/, ctx.update('Done.\n')];
179
- case 13:
180
- _k.sent();
181
- return [2 /*return*/, ret];
182
- }
183
- });
184
- }); }).run(showProgress, 250);
185
- }
186
- exports.convert = convert;
187
- //# sourceMappingURL=converter.js.map
@@ -1,8 +0,0 @@
1
- #!/usr/bin/env node
2
- /**
3
- * Copyright (c) 2017-2019 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>
7
- */
8
- export {};
@@ -1,81 +0,0 @@
1
- #!/usr/bin/env node
2
- "use strict";
3
- /**
4
- * Copyright (c) 2017-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
5
- *
6
- * @author David Sehnal <david.sehnal@gmail.com>
7
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
8
- */
9
- Object.defineProperty(exports, "__esModule", { value: true });
10
- var tslib_1 = require("tslib");
11
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
12
- var util = (0, tslib_1.__importStar)(require("util"));
13
- var fs = (0, tslib_1.__importStar)(require("fs"));
14
- var zlib = (0, tslib_1.__importStar)(require("zlib"));
15
- var converter_1 = require("./converter");
16
- require('util.promisify').shim();
17
- function process(srcPath, outPath, configPath, filterPath) {
18
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
19
- var config, filter, res;
20
- return (0, tslib_1.__generator)(this, function (_a) {
21
- switch (_a.label) {
22
- case 0:
23
- config = configPath ? JSON.parse(fs.readFileSync(configPath, 'utf8')) : void 0;
24
- filter = filterPath ? fs.readFileSync(filterPath, 'utf8') : void 0;
25
- return [4 /*yield*/, (0, converter_1.convert)(srcPath, false, config, filter)];
26
- case 1:
27
- res = _a.sent();
28
- return [4 /*yield*/, write(outPath, res)];
29
- case 2:
30
- _a.sent();
31
- return [2 /*return*/];
32
- }
33
- });
34
- });
35
- }
36
- var zipAsync = util.promisify(zlib.gzip);
37
- function write(outPath, res) {
38
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
39
- var isGz;
40
- return (0, tslib_1.__generator)(this, function (_a) {
41
- switch (_a.label) {
42
- case 0:
43
- isGz = /\.gz$/i.test(outPath);
44
- if (!isGz) return [3 /*break*/, 2];
45
- return [4 /*yield*/, zipAsync(res)];
46
- case 1:
47
- res = _a.sent();
48
- _a.label = 2;
49
- case 2:
50
- fs.writeFileSync(outPath, res);
51
- return [2 /*return*/];
52
- }
53
- });
54
- });
55
- }
56
- function run(args) {
57
- process(args.src, args.out, args.config, args.filter);
58
- }
59
- var parser = new argparse.ArgumentParser({
60
- add_help: true,
61
- description: 'Convert any CIF file to a BCIF file'
62
- });
63
- parser.add_argument('src', {
64
- help: 'Source CIF path'
65
- });
66
- parser.add_argument('out', {
67
- help: 'Output BCIF path'
68
- });
69
- parser.add_argument('-c', '--config', {
70
- help: 'Optional encoding strategy/precision config path',
71
- required: false
72
- });
73
- parser.add_argument('-f', '--filter', {
74
- help: 'Optional filter whitelist/blacklist path',
75
- required: false
76
- });
77
- var args = parser.parse_args();
78
- if (args) {
79
- run(args);
80
- }
81
- //# sourceMappingURL=index.js.map
@@ -1,7 +0,0 @@
1
- #!/usr/bin/env node
2
- /**
3
- * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
- *
5
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
- */
7
- export {};
@@ -1,397 +0,0 @@
1
- #!/usr/bin/env node
2
- "use strict";
3
- /**
4
- * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
5
- *
6
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
7
- */
8
- Object.defineProperty(exports, "__esModule", { value: true });
9
- var tslib_1 = require("tslib");
10
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
11
- var fs = (0, tslib_1.__importStar)(require("fs"));
12
- var path = (0, tslib_1.__importStar)(require("path"));
13
- var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
14
- var parser_1 = require("../../mol-io/reader/csv/parser");
15
- var parser_2 = require("../../mol-io/reader/cif/text/parser");
16
- var cif_dic_1 = require("./util/cif-dic");
17
- var generate_1 = require("./util/generate");
18
- var helper_1 = require("./util/helper");
19
- function getDicVersion(block) {
20
- return block.categories.dictionary.getField('version').str(0);
21
- }
22
- function getDicNamespace(block) {
23
- return block.categories.dictionary.getField('namespace').str(0);
24
- }
25
- function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
26
- if (typescript === void 0) { typescript = false; }
27
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
28
- var mmcifDic, ihmDic, maDic, mmcifDicVersion, ihmDicVersion, maDicVersion, version, frames, schema;
29
- return (0, tslib_1.__generator)(this, function (_a) {
30
- switch (_a.label) {
31
- case 0: return [4 /*yield*/, ensureMmcifDicAvailable()];
32
- case 1:
33
- _a.sent();
34
- return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(MMCIF_DIC_PATH, 'utf8')).run()];
35
- case 2:
36
- mmcifDic = _a.sent();
37
- if (mmcifDic.isError)
38
- throw mmcifDic;
39
- return [4 /*yield*/, ensureIhmDicAvailable()];
40
- case 3:
41
- _a.sent();
42
- return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(IHM_DIC_PATH, 'utf8')).run()];
43
- case 4:
44
- ihmDic = _a.sent();
45
- if (ihmDic.isError)
46
- throw ihmDic;
47
- return [4 /*yield*/, ensureMaDicAvailable()];
48
- case 5:
49
- _a.sent();
50
- return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(MA_DIC_PATH, 'utf8')).run()];
51
- case 6:
52
- maDic = _a.sent();
53
- if (maDic.isError)
54
- throw maDic;
55
- mmcifDicVersion = getDicVersion(mmcifDic.result.blocks[0]);
56
- ihmDicVersion = getDicVersion(ihmDic.result.blocks[0]);
57
- maDicVersion = getDicVersion(maDic.result.blocks[0]);
58
- version = "Dictionary versions: mmCIF ".concat(mmcifDicVersion, ", IHM ").concat(ihmDicVersion, ", MA ").concat(maDicVersion, ".");
59
- frames = (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], mmcifDic.result.blocks[0].saveFrames, true), ihmDic.result.blocks[0].saveFrames, true), maDic.result.blocks[0].saveFrames, true);
60
- schema = (0, cif_dic_1.generateSchema)(frames);
61
- return [4 /*yield*/, runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases)];
62
- case 7:
63
- _a.sent();
64
- return [2 /*return*/];
65
- }
66
- });
67
- });
68
- }
69
- function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
70
- if (typescript === void 0) { typescript = false; }
71
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
72
- var cifCoreDic, cifCoreDicVersion, version, frames, imports, schema;
73
- return (0, tslib_1.__generator)(this, function (_a) {
74
- switch (_a.label) {
75
- case 0: return [4 /*yield*/, ensureCifCoreDicAvailable()];
76
- case 1:
77
- _a.sent();
78
- return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(CIF_CORE_DIC_PATH, 'utf8')).run()];
79
- case 2:
80
- cifCoreDic = _a.sent();
81
- if (cifCoreDic.isError)
82
- throw cifCoreDic;
83
- cifCoreDicVersion = getDicVersion(cifCoreDic.result.blocks[0]);
84
- version = "Dictionary versions: CifCore ".concat(cifCoreDicVersion, ".");
85
- frames = (0, tslib_1.__spreadArray)([], cifCoreDic.result.blocks[0].saveFrames, true);
86
- return [4 /*yield*/, resolveImports(frames, DIC_DIR)];
87
- case 3:
88
- imports = _a.sent();
89
- schema = (0, cif_dic_1.generateSchema)(frames, imports);
90
- return [4 /*yield*/, runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases)];
91
- case 4:
92
- _a.sent();
93
- return [2 /*return*/];
94
- }
95
- });
96
- });
97
- }
98
- function resolveImports(frames, baseDir) {
99
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
100
- var imports, _i, frames_1, d, importGet, _a, importGet_1, g, file, dic;
101
- return (0, tslib_1.__generator)(this, function (_b) {
102
- switch (_b.label) {
103
- case 0:
104
- imports = new Map();
105
- _i = 0, frames_1 = frames;
106
- _b.label = 1;
107
- case 1:
108
- if (!(_i < frames_1.length)) return [3 /*break*/, 6];
109
- d = frames_1[_i];
110
- if (!('import' in d.categories)) return [3 /*break*/, 5];
111
- importGet = (0, helper_1.parseImportGet)(d.categories['import'].getField('get').str(0));
112
- _a = 0, importGet_1 = importGet;
113
- _b.label = 2;
114
- case 2:
115
- if (!(_a < importGet_1.length)) return [3 /*break*/, 5];
116
- g = importGet_1[_a];
117
- file = g.file;
118
- if (!file)
119
- return [3 /*break*/, 4];
120
- if (imports.has(file))
121
- return [3 /*break*/, 4];
122
- return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(path.join(baseDir, file), 'utf8')).run()];
123
- case 3:
124
- dic = _b.sent();
125
- if (dic.isError)
126
- throw dic;
127
- imports.set(file, (0, tslib_1.__spreadArray)([], dic.result.blocks[0].saveFrames, true));
128
- _b.label = 4;
129
- case 4:
130
- _a++;
131
- return [3 /*break*/, 2];
132
- case 5:
133
- _i++;
134
- return [3 /*break*/, 1];
135
- case 6: return [2 /*return*/, imports];
136
- }
137
- });
138
- });
139
- }
140
- function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
141
- if (typescript === void 0) { typescript = false; }
142
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
143
- var dic, dicVersion, dicName, version, frames, imports, schema;
144
- return (0, tslib_1.__generator)(this, function (_a) {
145
- switch (_a.label) {
146
- case 0: return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(dicPath, 'utf8')).run()];
147
- case 1:
148
- dic = _a.sent();
149
- if (dic.isError)
150
- throw dic;
151
- dicVersion = getDicVersion(dic.result.blocks[0]);
152
- dicName = getDicNamespace(dic.result.blocks[0]);
153
- version = "Dictionary versions: ".concat(dicName, " ").concat(dicVersion, ".");
154
- frames = (0, tslib_1.__spreadArray)([], dic.result.blocks[0].saveFrames, true);
155
- return [4 /*yield*/, resolveImports(frames, path.dirname(dicPath))];
156
- case 2:
157
- imports = _a.sent();
158
- schema = (0, cif_dic_1.generateSchema)(frames, imports);
159
- return [4 /*yield*/, runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases)];
160
- case 3:
161
- _a.sent();
162
- return [2 /*return*/];
163
- }
164
- });
165
- });
166
- }
167
- function runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
168
- if (typescript === void 0) { typescript = false; }
169
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
170
- var filter, _a, output;
171
- return (0, tslib_1.__generator)(this, function (_b) {
172
- switch (_b.label) {
173
- case 0:
174
- if (!fieldNamesPath) return [3 /*break*/, 2];
175
- return [4 /*yield*/, getFieldNamesFilter(fieldNamesPath)];
176
- case 1:
177
- _a = _b.sent();
178
- return [3 /*break*/, 3];
179
- case 2:
180
- _a = undefined;
181
- _b.label = 3;
182
- case 3:
183
- filter = _a;
184
- output = typescript ? (0, generate_1.generate)(name, version, schema, filter, moldbImportPath, addAliases) : JSON.stringify(schema, undefined, 4);
185
- if (out) {
186
- fs.writeFileSync(out, output);
187
- }
188
- else {
189
- console.log(output);
190
- }
191
- return [2 /*return*/];
192
- }
193
- });
194
- });
195
- }
196
- function getFieldNamesFilter(fieldNamesPath) {
197
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
198
- var fieldNamesStr, parsed, csvFile, fieldNamesCol, fieldNames, filter;
199
- return (0, tslib_1.__generator)(this, function (_a) {
200
- switch (_a.label) {
201
- case 0:
202
- fieldNamesStr = fs.readFileSync(fieldNamesPath, 'utf8');
203
- return [4 /*yield*/, (0, parser_1.parseCsv)(fieldNamesStr, { noColumnNames: true }).run()];
204
- case 1:
205
- parsed = _a.sent();
206
- if (parsed.isError)
207
- throw parser.error;
208
- csvFile = parsed.result;
209
- fieldNamesCol = csvFile.table.getColumn('0');
210
- if (!fieldNamesCol)
211
- throw new Error('error getting fields columns');
212
- fieldNames = fieldNamesCol.toStringArray();
213
- filter = {};
214
- fieldNames.forEach(function (name, i) {
215
- var _a = name.split('.'), category = _a[0], field = _a[1];
216
- // console.log(category, field)
217
- if (!filter[category])
218
- filter[category] = {};
219
- filter[category][field] = true;
220
- });
221
- return [2 /*return*/, filter];
222
- }
223
- });
224
- });
225
- }
226
- function ensureMmcifDicAvailable() {
227
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
228
- switch (_a.label) {
229
- case 0: return [4 /*yield*/, ensureDicAvailable(MMCIF_DIC_PATH, MMCIF_DIC_URL)];
230
- case 1:
231
- _a.sent();
232
- return [2 /*return*/];
233
- }
234
- }); });
235
- }
236
- function ensureIhmDicAvailable() {
237
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
238
- switch (_a.label) {
239
- case 0: return [4 /*yield*/, ensureDicAvailable(IHM_DIC_PATH, IHM_DIC_URL)];
240
- case 1:
241
- _a.sent();
242
- return [2 /*return*/];
243
- }
244
- }); });
245
- }
246
- function ensureMaDicAvailable() {
247
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
248
- switch (_a.label) {
249
- case 0: return [4 /*yield*/, ensureDicAvailable(MA_DIC_PATH, MA_DIC_URL)];
250
- case 1:
251
- _a.sent();
252
- return [2 /*return*/];
253
- }
254
- }); });
255
- }
256
- function ensureCifCoreDicAvailable() {
257
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
258
- return (0, tslib_1.__generator)(this, function (_a) {
259
- switch (_a.label) {
260
- case 0: return [4 /*yield*/, ensureDicAvailable(CIF_CORE_DIC_PATH, CIF_CORE_DIC_URL)];
261
- case 1:
262
- _a.sent();
263
- return [4 /*yield*/, ensureDicAvailable(CIF_CORE_ENUM_PATH, CIF_CORE_ENUM_URL)];
264
- case 2:
265
- _a.sent();
266
- return [4 /*yield*/, ensureDicAvailable(CIF_CORE_ATTR_PATH, CIF_CORE_ATTR_URL)];
267
- case 3:
268
- _a.sent();
269
- return [2 /*return*/];
270
- }
271
- });
272
- });
273
- }
274
- function ensureDicAvailable(dicPath, dicUrl) {
275
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
276
- var name_1, data, _a, _b, _c;
277
- return (0, tslib_1.__generator)(this, function (_d) {
278
- switch (_d.label) {
279
- case 0:
280
- if (!(FORCE_DIC_DOWNLOAD || !fs.existsSync(dicPath))) return [3 /*break*/, 3];
281
- name_1 = dicUrl.substr(dicUrl.lastIndexOf('/') + 1);
282
- console.log("downloading ".concat(name_1, "..."));
283
- return [4 /*yield*/, (0, node_fetch_1.default)(dicUrl)];
284
- case 1:
285
- data = _d.sent();
286
- if (!fs.existsSync(DIC_DIR)) {
287
- fs.mkdirSync(DIC_DIR);
288
- }
289
- _b = (_a = fs).writeFileSync;
290
- _c = [dicPath];
291
- return [4 /*yield*/, data.text()];
292
- case 2:
293
- _b.apply(_a, _c.concat([_d.sent()]));
294
- console.log("done downloading ".concat(name_1));
295
- _d.label = 3;
296
- case 3: return [2 /*return*/];
297
- }
298
- });
299
- });
300
- }
301
- var DIC_DIR = path.resolve(__dirname, '../../../../build/dics/');
302
- var MMCIF_DIC_PATH = "".concat(DIC_DIR, "/mmcif_pdbx_v50.dic");
303
- var MMCIF_DIC_URL = 'http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic';
304
- var IHM_DIC_PATH = "".concat(DIC_DIR, "/ihm-extension.dic");
305
- var IHM_DIC_URL = 'https://raw.githubusercontent.com/ihmwg/IHM-dictionary/master/ihm-extension.dic';
306
- var MA_DIC_PATH = "".concat(DIC_DIR, "/ma-extension.dic");
307
- var MA_DIC_URL = 'https://raw.githubusercontent.com/ihmwg/MA-dictionary/master/mmcif_ma.dic';
308
- var CIF_CORE_DIC_PATH = "".concat(DIC_DIR, "/cif_core.dic");
309
- var CIF_CORE_DIC_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic';
310
- var CIF_CORE_ENUM_PATH = "".concat(DIC_DIR, "/templ_enum.cif");
311
- var CIF_CORE_ENUM_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_enum.cif';
312
- var CIF_CORE_ATTR_PATH = "".concat(DIC_DIR, "/templ_attr.cif");
313
- var CIF_CORE_ATTR_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_attr.cif';
314
- var parser = new argparse.ArgumentParser({
315
- add_help: true,
316
- description: 'Create schema from mmcif dictionary (v50 plus IHM and entity_branch extensions, downloaded from wwPDB)'
317
- });
318
- parser.add_argument('--preset', '-p', {
319
- default: '',
320
- choices: ['', 'mmCIF', 'CCD', 'BIRD', 'CifCore'],
321
- help: 'Preset name'
322
- });
323
- parser.add_argument('--name', '-n', {
324
- default: '',
325
- help: 'Schema name'
326
- });
327
- parser.add_argument('--out', '-o', {
328
- help: 'Generated schema output path, if not given printed to stdout'
329
- });
330
- parser.add_argument('--targetFormat', '-tf', {
331
- default: 'typescript-molstar',
332
- choices: ['typescript-molstar', 'json-internal'],
333
- help: 'Target format'
334
- });
335
- parser.add_argument('--dicPath', '-d', {
336
- default: '',
337
- help: 'Path to dictionary'
338
- });
339
- parser.add_argument('--fieldNamesPath', '-fn', {
340
- default: '',
341
- help: 'Field names to include'
342
- });
343
- parser.add_argument('--forceDicDownload', '-f', {
344
- action: 'store_true',
345
- help: 'Force download of dictionaries'
346
- });
347
- parser.add_argument('--moldataImportPath', '-mip', {
348
- default: 'molstar/lib/mol-data',
349
- help: 'mol-data import path (for typescript target only)'
350
- });
351
- parser.add_argument('--addAliases', '-aa', {
352
- action: 'store_true',
353
- help: 'Add field name/path aliases'
354
- });
355
- var args = parser.parse_args();
356
- var FORCE_DIC_DOWNLOAD = args.forceDicDownload;
357
- switch (args.preset) {
358
- case 'mmCIF':
359
- args.name = 'mmCIF';
360
- args.dic = 'mmCIF';
361
- args.fieldNamesPath = path.resolve(__dirname, '../../../../data/cif-field-names/mmcif-field-names.csv');
362
- break;
363
- case 'CCD':
364
- args.name = 'CCD';
365
- args.dic = 'mmCIF';
366
- args.fieldNamesPath = path.resolve(__dirname, '../../../../data/cif-field-names/ccd-field-names.csv');
367
- break;
368
- case 'BIRD':
369
- args.name = 'BIRD';
370
- args.dic = 'mmCIF';
371
- args.fieldNamesPath = path.resolve(__dirname, '../../../../data/cif-field-names/bird-field-names.csv');
372
- break;
373
- case 'CifCore':
374
- args.name = 'CifCore';
375
- args.dic = 'CifCore';
376
- args.fieldNamesPath = path.resolve(__dirname, '../../../../data/cif-field-names/cif-core-field-names.csv');
377
- break;
378
- }
379
- if (args.name) {
380
- var typescript = args.targetFormat === 'typescript-molstar';
381
- if (args.dicPath) {
382
- runGenerateSchemaDic(args.name, args.dicPath, args.fieldNamesPath, typescript, args.out, args.moldataImportPath, args.addAliases).catch(function (e) {
383
- console.error(e);
384
- });
385
- }
386
- else if (args.dic === 'mmCIF') {
387
- runGenerateSchemaMmcif(args.name, args.fieldNamesPath, typescript, args.out, args.moldataImportPath, args.addAliases).catch(function (e) {
388
- console.error(e);
389
- });
390
- }
391
- else if (args.dic === 'CifCore') {
392
- runGenerateSchemaCifCore(args.name, args.fieldNamesPath, typescript, args.out, args.moldataImportPath, args.addAliases).catch(function (e) {
393
- console.error(e);
394
- });
395
- }
396
- }
397
- //# sourceMappingURL=index.js.map