molstar 3.0.1 → 3.0.2

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 (1754) 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/embedded.html +43 -43
  8. package/lib/apps/viewer/index.html +106 -106
  9. package/lib/commonjs/apps/docking-viewer/index.js +253 -0
  10. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  11. package/lib/commonjs/apps/docking-viewer/viewport.js +326 -0
  12. package/lib/commonjs/apps/viewer/app.d.ts +3 -3
  13. package/lib/commonjs/cli/chem-comp-dict/create-ions.d.ts +7 -0
  14. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +68 -0
  15. package/lib/commonjs/cli/chem-comp-dict/create-table.d.ts +7 -0
  16. package/lib/commonjs/cli/chem-comp-dict/create-table.js +282 -0
  17. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +146 -0
  18. package/lib/commonjs/cli/chem-comp-dict/util.js +144 -0
  19. package/lib/commonjs/cli/cif2bcif/converter.d.ts +8 -0
  20. package/lib/commonjs/cli/cif2bcif/converter.js +187 -0
  21. package/lib/commonjs/cli/cif2bcif/index.d.ts +8 -0
  22. package/lib/commonjs/cli/cif2bcif/index.js +81 -0
  23. package/lib/commonjs/cli/cifschema/index.d.ts +7 -0
  24. package/lib/commonjs/cli/cifschema/index.js +397 -0
  25. package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +11 -0
  26. package/lib/commonjs/cli/cifschema/util/cif-dic.js +456 -0
  27. package/lib/commonjs/cli/cifschema/util/generate.d.ts +7 -0
  28. package/lib/commonjs/cli/cifschema/util/generate.js +158 -0
  29. package/lib/commonjs/cli/cifschema/util/helper.d.ts +10 -0
  30. package/lib/commonjs/cli/cifschema/util/helper.js +22 -0
  31. package/lib/commonjs/cli/cifschema/util/schema.d.ts +70 -0
  32. package/lib/commonjs/cli/cifschema/util/schema.js +64 -0
  33. package/lib/commonjs/cli/lipid-params/index.d.ts +7 -0
  34. package/lib/commonjs/cli/lipid-params/index.js +104 -0
  35. package/lib/commonjs/cli/state-docs/index.js +64 -0
  36. package/lib/commonjs/cli/state-docs/pd-to-md.js +80 -0
  37. package/lib/commonjs/cli/structure-info/helpers.d.ts +7 -0
  38. package/lib/commonjs/cli/structure-info/helpers.js +92 -0
  39. package/lib/commonjs/cli/structure-info/model.js +336 -0
  40. package/lib/commonjs/cli/structure-info/volume.js +115 -0
  41. package/lib/commonjs/examples/alpha-orbitals/controls.js +25 -0
  42. package/lib/commonjs/examples/alpha-orbitals/example-data.js +60260 -0
  43. package/lib/commonjs/examples/alpha-orbitals/index.js +230 -0
  44. package/lib/commonjs/examples/basic-wrapper/coloring.js +31 -0
  45. package/lib/commonjs/examples/basic-wrapper/controls.js +23 -0
  46. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +49 -0
  47. package/lib/commonjs/examples/basic-wrapper/index.js +265 -0
  48. package/lib/commonjs/examples/basic-wrapper/superposition.js +191 -0
  49. package/lib/commonjs/examples/domain-annotation-server/mapping.d.ts +6 -0
  50. package/lib/commonjs/examples/domain-annotation-server/mapping.js +111 -0
  51. package/lib/commonjs/examples/domain-annotation-server/schemas.d.ts +103 -0
  52. package/lib/commonjs/examples/domain-annotation-server/schemas.js +73 -0
  53. package/lib/commonjs/examples/domain-annotation-server/server.d.ts +6 -0
  54. package/lib/commonjs/examples/domain-annotation-server/server.js +65 -0
  55. package/lib/commonjs/examples/domain-annotation-server/test.d.ts +6 -0
  56. package/lib/commonjs/examples/domain-annotation-server/test.js +28 -0
  57. package/lib/commonjs/examples/lighting/index.js +145 -0
  58. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +88 -0
  59. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +97 -0
  60. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +109 -0
  61. package/lib/commonjs/examples/proteopedia-wrapper/index.js +498 -0
  62. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +19 -0
  63. package/lib/commonjs/examples/task.d.ts +19 -0
  64. package/lib/commonjs/examples/task.js +221 -0
  65. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +134 -0
  66. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +69 -0
  67. package/lib/commonjs/extensions/alpha-orbitals/density.js +113 -0
  68. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +157 -0
  69. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.d.ts +7 -0
  70. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +11 -0
  71. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +121 -0
  72. package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.d.ts +11 -0
  73. package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +66 -0
  74. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +261 -0
  75. package/lib/commonjs/extensions/anvil/algorithm.js +578 -0
  76. package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
  77. package/lib/commonjs/extensions/anvil/behavior.js +209 -0
  78. package/lib/commonjs/extensions/anvil/prop.js +82 -0
  79. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
  80. package/lib/commonjs/extensions/anvil/representation.js +118 -0
  81. package/lib/commonjs/extensions/cellpack/color/generate.js +86 -0
  82. package/lib/commonjs/extensions/cellpack/color/provided.js +68 -0
  83. package/lib/commonjs/extensions/cellpack/curve.d.ts +9 -0
  84. package/lib/commonjs/extensions/cellpack/curve.js +203 -0
  85. package/lib/commonjs/extensions/cellpack/data.d.ts +107 -0
  86. package/lib/commonjs/extensions/cellpack/data.js +8 -0
  87. package/lib/commonjs/extensions/cellpack/index.js +39 -0
  88. package/lib/commonjs/extensions/cellpack/model.js +903 -0
  89. package/lib/commonjs/extensions/cellpack/preset.js +109 -0
  90. package/lib/commonjs/extensions/cellpack/property.js +31 -0
  91. package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
  92. package/lib/commonjs/extensions/cellpack/representation.js +47 -0
  93. package/lib/commonjs/extensions/cellpack/state.js +397 -0
  94. package/lib/commonjs/extensions/cellpack/util.js +181 -0
  95. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  96. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +121 -0
  97. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +178 -0
  98. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +160 -0
  99. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
  100. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +159 -0
  101. package/lib/commonjs/extensions/dnatco/confal-pyramids/types.js +27 -0
  102. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +234 -0
  103. package/lib/commonjs/extensions/dnatco/index.js +12 -0
  104. package/lib/commonjs/extensions/g3d/data.js +71 -0
  105. package/lib/commonjs/extensions/g3d/format.js +232 -0
  106. package/lib/commonjs/extensions/g3d/model.js +215 -0
  107. package/lib/commonjs/extensions/geo-export/controls.js +109 -0
  108. package/lib/commonjs/extensions/geo-export/glb-exporter.js +323 -0
  109. package/lib/commonjs/extensions/geo-export/index.js +36 -0
  110. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +457 -0
  111. package/lib/commonjs/extensions/geo-export/obj-exporter.js +212 -0
  112. package/lib/commonjs/extensions/geo-export/render-object-exporter.js +8 -0
  113. package/lib/commonjs/extensions/geo-export/stl-exporter.js +131 -0
  114. package/lib/commonjs/extensions/geo-export/ui.js +116 -0
  115. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +222 -0
  116. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -2
  117. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +236 -0
  118. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +125 -0
  119. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +111 -0
  120. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +130 -0
  121. package/lib/commonjs/extensions/model-export/export.js +129 -0
  122. package/lib/commonjs/extensions/model-export/index.js +36 -0
  123. package/lib/commonjs/extensions/model-export/ui.js +77 -0
  124. package/lib/commonjs/extensions/mp4-export/controls.js +142 -0
  125. package/lib/commonjs/extensions/mp4-export/encoder.js +119 -0
  126. package/lib/commonjs/extensions/mp4-export/index.js +36 -0
  127. package/lib/commonjs/extensions/mp4-export/ui.js +94 -0
  128. package/lib/commonjs/extensions/pdbe/index.js +15 -0
  129. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +98 -0
  130. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +128 -0
  131. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +75 -0
  132. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +113 -0
  133. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +288 -0
  134. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +5 -5
  135. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +255 -0
  136. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +2 -2
  137. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +101 -0
  138. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +220 -0
  139. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
  140. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +363 -0
  141. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +215 -0
  142. package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.d.ts +1 -0
  143. package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.js +5 -0
  144. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +12874 -0
  145. package/lib/commonjs/extensions/rcsb/graphql/types.js +3 -0
  146. package/lib/commonjs/extensions/rcsb/index.js +13 -0
  147. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  148. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +421 -0
  149. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +79 -0
  150. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +110 -0
  151. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +67 -0
  152. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +490 -0
  153. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -5
  154. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +243 -0
  155. package/lib/commonjs/mol-canvas3d/camera/stereo.js +129 -0
  156. package/lib/commonjs/mol-canvas3d/camera/transition.js +103 -0
  157. package/lib/commonjs/mol-canvas3d/camera/util.d.ts +31 -0
  158. package/lib/commonjs/mol-canvas3d/camera/util.js +94 -0
  159. package/lib/commonjs/mol-canvas3d/camera.js +334 -0
  160. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
  161. package/lib/commonjs/mol-canvas3d/controls/object.js +49 -0
  162. package/lib/commonjs/mol-canvas3d/controls/trackball.js +426 -0
  163. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +157 -0
  164. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -1
  165. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +217 -0
  166. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
  167. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +184 -0
  168. package/lib/commonjs/mol-canvas3d/helper/helper.js +33 -0
  169. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +94 -0
  170. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  171. package/lib/commonjs/mol-canvas3d/passes/marking.js +131 -0
  172. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +2 -2
  173. package/lib/commonjs/mol-canvas3d/passes/smaa.js +167 -0
  174. package/lib/commonjs/mol-canvas3d/passes/wboit.d.ts +23 -0
  175. package/lib/commonjs/mol-canvas3d/passes/wboit.js +115 -0
  176. package/lib/commonjs/mol-canvas3d/util.d.ts +10 -0
  177. package/lib/commonjs/mol-canvas3d/util.js +70 -0
  178. package/lib/commonjs/mol-data/db/column-helpers.d.ts +19 -0
  179. package/lib/commonjs/mol-data/db/column-helpers.js +44 -0
  180. package/lib/commonjs/mol-data/db/column.d.ts +135 -0
  181. package/lib/commonjs/mol-data/db/column.js +425 -0
  182. package/lib/commonjs/mol-data/db/database.d.ts +25 -0
  183. package/lib/commonjs/mol-data/db/database.js +40 -0
  184. package/lib/commonjs/mol-data/db/table.d.ts +57 -0
  185. package/lib/commonjs/mol-data/db/table.js +302 -0
  186. package/lib/commonjs/mol-data/db.d.ts +14 -0
  187. package/lib/commonjs/mol-data/db.js +19 -0
  188. package/lib/commonjs/mol-data/generic/hash-set.d.ts +12 -0
  189. package/lib/commonjs/mol-data/generic/hash-set.js +52 -0
  190. package/lib/commonjs/mol-data/generic/linked-list.d.ts +26 -0
  191. package/lib/commonjs/mol-data/generic/linked-list.js +95 -0
  192. package/lib/commonjs/mol-data/generic/unique-array.d.ts +15 -0
  193. package/lib/commonjs/mol-data/generic/unique-array.js +31 -0
  194. package/lib/commonjs/mol-data/generic.d.ts +8 -0
  195. package/lib/commonjs/mol-data/generic.js +12 -0
  196. package/lib/commonjs/mol-data/index.d.ts +11 -0
  197. package/lib/commonjs/mol-data/index.js +20 -0
  198. package/lib/commonjs/mol-data/int/impl/interval.d.ts +30 -0
  199. package/lib/commonjs/mol-data/int/impl/interval.js +84 -0
  200. package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +40 -0
  201. package/lib/commonjs/mol-data/int/impl/ordered-set.js +423 -0
  202. package/lib/commonjs/mol-data/int/impl/segmentation.d.ts +41 -0
  203. package/lib/commonjs/mol-data/int/impl/segmentation.js +109 -0
  204. package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +45 -0
  205. package/lib/commonjs/mol-data/int/impl/sorted-array.js +477 -0
  206. package/lib/commonjs/mol-data/int/interval.d.ts +53 -0
  207. package/lib/commonjs/mol-data/int/interval.js +56 -0
  208. package/lib/commonjs/mol-data/int/linked-index.d.ts +13 -0
  209. package/lib/commonjs/mol-data/int/linked-index.js +48 -0
  210. package/lib/commonjs/mol-data/int/map.d.ts +25 -0
  211. package/lib/commonjs/mol-data/int/map.js +50 -0
  212. package/lib/commonjs/mol-data/int/ordered-set.d.ts +55 -0
  213. package/lib/commonjs/mol-data/int/ordered-set.js +80 -0
  214. package/lib/commonjs/mol-data/int/segmentation.d.ts +32 -0
  215. package/lib/commonjs/mol-data/int/segmentation.js +22 -0
  216. package/lib/commonjs/mol-data/int/sorted-array.d.ts +49 -0
  217. package/lib/commonjs/mol-data/int/sorted-array.js +52 -0
  218. package/lib/commonjs/mol-data/int/sorted-ranges.d.ts +42 -0
  219. package/lib/commonjs/mol-data/int/sorted-ranges.js +125 -0
  220. package/lib/commonjs/mol-data/int/tuple.d.ts +28 -0
  221. package/lib/commonjs/mol-data/int/tuple.js +86 -0
  222. package/lib/commonjs/mol-data/int.d.ts +14 -0
  223. package/lib/commonjs/mol-data/int.js +25 -0
  224. package/lib/commonjs/mol-data/iterator.d.ts +25 -0
  225. package/lib/commonjs/mol-data/iterator.js +113 -0
  226. package/lib/commonjs/mol-data/util/array.d.ts +19 -0
  227. package/lib/commonjs/mol-data/util/array.js +56 -0
  228. package/lib/commonjs/mol-data/util/buckets.d.ts +16 -0
  229. package/lib/commonjs/mol-data/util/buckets.js +81 -0
  230. package/lib/commonjs/mol-data/util/chunked-array.d.ts +49 -0
  231. package/lib/commonjs/mol-data/util/chunked-array.js +175 -0
  232. package/lib/commonjs/mol-data/util/combination.d.ts +17 -0
  233. package/lib/commonjs/mol-data/util/combination.js +61 -0
  234. package/lib/commonjs/mol-data/util/equivalence-classes.d.ts +16 -0
  235. package/lib/commonjs/mol-data/util/equivalence-classes.js +52 -0
  236. package/lib/commonjs/mol-data/util/grouping.d.ts +23 -0
  237. package/lib/commonjs/mol-data/util/grouping.js +53 -0
  238. package/lib/commonjs/mol-data/util/hash-functions.d.ts +26 -0
  239. package/lib/commonjs/mol-data/util/hash-functions.js +96 -0
  240. package/lib/commonjs/mol-data/util/interval-iterator.d.ts +19 -0
  241. package/lib/commonjs/mol-data/util/interval-iterator.js +45 -0
  242. package/lib/commonjs/mol-data/util/sort.d.ts +12 -0
  243. package/lib/commonjs/mol-data/util/sort.js +164 -0
  244. package/lib/commonjs/mol-data/util.d.ts +12 -0
  245. package/lib/commonjs/mol-data/util.js +16 -0
  246. package/lib/commonjs/mol-geo/geometry/base.d.ts +5 -5
  247. package/lib/commonjs/mol-geo/geometry/base.js +152 -0
  248. package/lib/commonjs/mol-geo/geometry/clipping-data.js +55 -0
  249. package/lib/commonjs/mol-geo/geometry/color-data.js +235 -0
  250. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders-builder.js +114 -0
  251. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +3 -3
  252. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +197 -0
  253. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -1
  254. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +220 -0
  255. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +15 -0
  256. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +61 -0
  257. package/lib/commonjs/mol-geo/geometry/geometry.js +89 -0
  258. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
  259. package/lib/commonjs/mol-geo/geometry/image/image.js +176 -0
  260. package/lib/commonjs/mol-geo/geometry/lines/lines-builder.js +110 -0
  261. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +2 -1
  262. package/lib/commonjs/mol-geo/geometry/lines/lines.js +195 -0
  263. package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +24 -0
  264. package/lib/commonjs/mol-geo/geometry/marker-data.js +103 -0
  265. package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +32 -0
  266. package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +100 -0
  267. package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +119 -0
  268. package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +24 -0
  269. package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +85 -0
  270. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +187 -0
  271. package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +30 -0
  272. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +175 -0
  273. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +325 -0
  274. package/lib/commonjs/mol-geo/geometry/mesh/laplacian-smoothing.d.ts +5 -0
  275. package/lib/commonjs/mol-geo/geometry/mesh/laplacian-smoothing.js +75 -0
  276. package/lib/commonjs/mol-geo/geometry/mesh/mesh-builder.js +154 -0
  277. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
  278. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +638 -0
  279. package/lib/commonjs/mol-geo/geometry/overpaint-data.d.ts +23 -0
  280. package/lib/commonjs/mol-geo/geometry/overpaint-data.js +68 -0
  281. package/lib/commonjs/mol-geo/geometry/picking.d.ts +13 -0
  282. package/lib/commonjs/mol-geo/geometry/picking.js +16 -0
  283. package/lib/commonjs/mol-geo/geometry/points/points-builder.js +35 -0
  284. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +4 -4
  285. package/lib/commonjs/mol-geo/geometry/points/points.js +175 -0
  286. package/lib/commonjs/mol-geo/geometry/size-data.js +123 -0
  287. package/lib/commonjs/mol-geo/geometry/spheres/spheres-builder.js +58 -0
  288. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
  289. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +180 -0
  290. package/lib/commonjs/mol-geo/geometry/substance-data.js +68 -0
  291. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +124 -0
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  1754. package/package.json +160 -160
@@ -0,0 +1,1329 @@
1
+ "use strict";
2
+ /**
3
+ * Copyright (c) 2018-2021 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
+ Object.defineProperty(exports, "__esModule", { value: true });
9
+ exports.StructureSelectionsPlane3D = exports.StructureSelectionsOrientation3D = exports.StructureSelectionsLabel3D = exports.StructureSelectionsDihedral3D = exports.StructureSelectionsAngle3D = exports.StructureSelectionsDistance3D = exports.StructureBoundingBox3D = exports.ModelUnitcell3D = exports.ShapeRepresentation3D = exports.VolumeRepresentation3DHelpers = exports.VolumeRepresentation3D = exports.ClippingStructureRepresentation3DFromBundle = exports.ClippingStructureRepresentation3DFromScript = exports.SubstanceStructureRepresentation3DFromBundle = exports.SubstanceStructureRepresentation3DFromScript = exports.TransparencyStructureRepresentation3DFromBundle = exports.TransparencyStructureRepresentation3DFromScript = exports.OverpaintStructureRepresentation3DFromBundle = exports.OverpaintStructureRepresentation3DFromScript = exports.UnwindStructureAssemblyRepresentation3D = exports.SpinStructureRepresentation3D = exports.ExplodeStructureRepresentation3D = exports.StructureRepresentation3D = void 0;
10
+ var tslib_1 = require("tslib");
11
+ var structure_1 = require("../../mol-model/structure");
12
+ var volume_1 = require("../../mol-model/volume");
13
+ var mol_state_1 = require("../../mol-state");
14
+ var mol_task_1 = require("../../mol-task");
15
+ var theme_1 = require("../../mol-theme/theme");
16
+ var param_definition_1 = require("../../mol-util/param-definition");
17
+ var objects_1 = require("../objects");
18
+ var names_1 = require("../../mol-util/color/names");
19
+ var representation_1 = require("../../mol-repr/shape/representation");
20
+ var unit_transforms_1 = require("../../mol-model/structure/structure/util/unit-transforms");
21
+ var helpers_1 = require("../animation/helpers");
22
+ var color_1 = require("../../mol-util/color");
23
+ var overpaint_1 = require("../../mol-theme/overpaint");
24
+ var transparency_1 = require("../../mol-theme/transparency");
25
+ var base_1 = require("../../mol-geo/geometry/base");
26
+ var script_1 = require("../../mol-script/script");
27
+ var unitcell_1 = require("../../mol-repr/shape/model/unitcell");
28
+ var distance_1 = require("../../mol-repr/shape/loci/distance");
29
+ var helpers_2 = require("./helpers");
30
+ var label_1 = require("../../mol-repr/shape/loci/label");
31
+ var orientation_1 = require("../../mol-repr/shape/loci/orientation");
32
+ var angle_1 = require("../../mol-repr/shape/loci/angle");
33
+ var dihedral_1 = require("../../mol-repr/shape/loci/dihedral");
34
+ var symmetry_1 = require("../../mol-model-formats/structure/property/symmetry");
35
+ var clipping_1 = require("../../mol-theme/clipping");
36
+ var type_helpers_1 = require("../../mol-util/type-helpers");
37
+ var mesh_1 = require("../../mol-geo/geometry/mesh/mesh");
38
+ var shape_1 = require("./shape");
39
+ var shape_2 = require("../../mol-model/shape");
40
+ var plane_1 = require("../../mol-repr/shape/loci/plane");
41
+ var substance_1 = require("../../mol-theme/substance");
42
+ var material_1 = require("../../mol-util/material");
43
+ var StructureRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
44
+ name: 'structure-representation-3d',
45
+ display: '3D Representation',
46
+ from: objects_1.PluginStateObject.Molecule.Structure,
47
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
48
+ params: function (a, ctx) {
49
+ var _a = ctx.representation.structure, registry = _a.registry, themeCtx = _a.themes;
50
+ var type = registry.get(registry.default.name);
51
+ if (!a) {
52
+ var colorThemeInfo_1 = {
53
+ help: function (value) {
54
+ var name = value.name, params = value.params;
55
+ var p = themeCtx.colorThemeRegistry.get(name);
56
+ var ct = p.factory({}, params);
57
+ return { description: ct.description, legend: ct.legend };
58
+ }
59
+ };
60
+ return {
61
+ type: param_definition_1.ParamDefinition.Mapped(registry.default.name, registry.types, function (name) { return param_definition_1.ParamDefinition.Group(registry.get(name).getParams(themeCtx, structure_1.Structure.Empty)); }),
62
+ colorTheme: param_definition_1.ParamDefinition.Mapped(type.defaultColorTheme.name, themeCtx.colorThemeRegistry.types, function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.colorThemeRegistry.get(name).getParams({ structure: structure_1.Structure.Empty })); }, colorThemeInfo_1),
63
+ sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.types, function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams({ structure: structure_1.Structure.Empty })); })
64
+ };
65
+ }
66
+ var dataCtx = { structure: a.data };
67
+ var colorThemeInfo = {
68
+ help: function (value) {
69
+ var name = value.name, params = value.params;
70
+ var p = themeCtx.colorThemeRegistry.get(name);
71
+ var ct = p.factory(dataCtx, params);
72
+ return { description: ct.description, legend: ct.legend };
73
+ }
74
+ };
75
+ return ({
76
+ type: param_definition_1.ParamDefinition.Mapped(registry.default.name, registry.getApplicableTypes(a.data), function (name) { return param_definition_1.ParamDefinition.Group(registry.get(name).getParams(themeCtx, a.data)); }),
77
+ colorTheme: param_definition_1.ParamDefinition.Mapped(type.defaultColorTheme.name, themeCtx.colorThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.colorThemeRegistry.get(name).getParams(dataCtx)); }, colorThemeInfo),
78
+ sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx)); })
79
+ });
80
+ }
81
+ })({
82
+ canAutoUpdate: function (_a) {
83
+ var a = _a.a, oldParams = _a.oldParams, newParams = _a.newParams;
84
+ // TODO: other criteria as well?
85
+ return a.data.elementCount < 10000 || (oldParams.type.name === newParams.type.name && newParams.type.params.quality !== 'custom');
86
+ },
87
+ apply: function (_a, plugin) {
88
+ var _this = this;
89
+ var a = _a.a, params = _a.params, cache = _a.cache;
90
+ return mol_task_1.Task.create('Structure Representation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
91
+ var propertyCtx, provider, data, repr, props;
92
+ var _a, _b;
93
+ return (0, tslib_1.__generator)(this, function (_c) {
94
+ switch (_c.label) {
95
+ case 0:
96
+ propertyCtx = { runtime: ctx, assetManager: plugin.managers.asset };
97
+ provider = plugin.representation.structure.registry.get(params.type.name);
98
+ data = ((_a = provider.getData) === null || _a === void 0 ? void 0 : _a.call(provider, a.data, params.type.params)) || a.data;
99
+ if (!provider.ensureCustomProperties) return [3 /*break*/, 2];
100
+ return [4 /*yield*/, provider.ensureCustomProperties.attach(propertyCtx, data)];
101
+ case 1:
102
+ _c.sent();
103
+ _c.label = 2;
104
+ case 2:
105
+ repr = provider.factory((0, tslib_1.__assign)({ webgl: (_b = plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.webgl }, plugin.representation.structure.themes), provider.getParams);
106
+ return [4 /*yield*/, theme_1.Theme.ensureDependencies(propertyCtx, plugin.representation.structure.themes, { structure: data }, params)];
107
+ case 3:
108
+ _c.sent();
109
+ repr.setTheme(theme_1.Theme.create(plugin.representation.structure.themes, { structure: data }, params));
110
+ props = params.type.params || {};
111
+ return [4 /*yield*/, repr.createOrUpdate(props, data).runInContext(ctx)];
112
+ case 4:
113
+ _c.sent();
114
+ return [2 /*return*/, new objects_1.PluginStateObject.Molecule.Structure.Representation3D({ repr: repr, sourceData: a.data }, { label: provider.label })];
115
+ }
116
+ });
117
+ }); });
118
+ },
119
+ update: function (_a, plugin) {
120
+ var _this = this;
121
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams, cache = _a.cache;
122
+ return mol_task_1.Task.create('Structure Representation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
123
+ var provider, data, propertyCtx, props;
124
+ var _a, _b;
125
+ return (0, tslib_1.__generator)(this, function (_c) {
126
+ switch (_c.label) {
127
+ case 0:
128
+ if (newParams.type.name !== oldParams.type.name)
129
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Recreate];
130
+ provider = plugin.representation.structure.registry.get(newParams.type.name);
131
+ if ((_a = provider.mustRecreate) === null || _a === void 0 ? void 0 : _a.call(provider, oldParams.type.params, newParams.type.params))
132
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Recreate];
133
+ data = ((_b = provider.getData) === null || _b === void 0 ? void 0 : _b.call(provider, a.data, newParams.type.params)) || a.data;
134
+ propertyCtx = { runtime: ctx, assetManager: plugin.managers.asset };
135
+ if (!provider.ensureCustomProperties) return [3 /*break*/, 2];
136
+ return [4 /*yield*/, provider.ensureCustomProperties.attach(propertyCtx, data)];
137
+ case 1:
138
+ _c.sent();
139
+ _c.label = 2;
140
+ case 2:
141
+ // TODO: if themes had a .needsUpdate method the following block could
142
+ // be optimized and only executed conditionally
143
+ theme_1.Theme.releaseDependencies(plugin.representation.structure.themes, { structure: b.data.sourceData }, oldParams);
144
+ return [4 /*yield*/, theme_1.Theme.ensureDependencies(propertyCtx, plugin.representation.structure.themes, { structure: data }, newParams)];
145
+ case 3:
146
+ _c.sent();
147
+ b.data.repr.setTheme(theme_1.Theme.create(plugin.representation.structure.themes, { structure: data }, newParams));
148
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams.type.params);
149
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
150
+ case 4:
151
+ _c.sent();
152
+ b.data.sourceData = a.data;
153
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
154
+ }
155
+ });
156
+ }); });
157
+ },
158
+ dispose: function (_a, plugin) {
159
+ var b = _a.b, params = _a.params;
160
+ if (!b || !params)
161
+ return;
162
+ var structure = b.data.sourceData;
163
+ var provider = plugin.representation.structure.registry.get(params.type.name);
164
+ if (provider.ensureCustomProperties)
165
+ provider.ensureCustomProperties.detach(structure);
166
+ theme_1.Theme.releaseDependencies(plugin.representation.structure.themes, { structure: structure }, params);
167
+ },
168
+ interpolate: function (src, tar, t) {
169
+ if (src.colorTheme.name !== 'uniform' || tar.colorTheme.name !== 'uniform') {
170
+ return t <= 0.5 ? src : tar;
171
+ }
172
+ var from = src.colorTheme.params.value, to = tar.colorTheme.params.value;
173
+ var value = color_1.Color.interpolate(from, to, t);
174
+ return {
175
+ type: t <= 0.5 ? src.type : tar.type,
176
+ colorTheme: { name: 'uniform', params: { value: value } },
177
+ sizeTheme: t <= 0.5 ? src.sizeTheme : tar.sizeTheme,
178
+ };
179
+ }
180
+ });
181
+ exports.StructureRepresentation3D = StructureRepresentation3D;
182
+ var UnwindStructureAssemblyRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
183
+ name: 'unwind-structure-assembly-representation-3d',
184
+ display: 'Unwind Assembly 3D Representation',
185
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
186
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
187
+ params: { t: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 1, step: 0.01 }) }
188
+ })({
189
+ canAutoUpdate: function () {
190
+ return true;
191
+ },
192
+ apply: function (_a) {
193
+ var a = _a.a, params = _a.params;
194
+ var structure = a.data.sourceData;
195
+ var unitTransforms = new unit_transforms_1.StructureUnitTransforms(structure);
196
+ (0, helpers_1.unwindStructureAssembly)(structure, unitTransforms, params.t);
197
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
198
+ state: { unitTransforms: unitTransforms },
199
+ initialState: { unitTransforms: new unit_transforms_1.StructureUnitTransforms(structure) },
200
+ info: structure,
201
+ repr: a.data.repr
202
+ }, { label: "Unwind T = ".concat(params.t.toFixed(2)) });
203
+ },
204
+ update: function (_a) {
205
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
206
+ var structure = b.data.info;
207
+ if (a.data.sourceData !== structure)
208
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
209
+ if (a.data.repr !== b.data.repr)
210
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
211
+ if (oldParams.t === newParams.t)
212
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
213
+ var unitTransforms = b.data.state.unitTransforms;
214
+ (0, helpers_1.unwindStructureAssembly)(structure, unitTransforms, newParams.t);
215
+ b.label = "Unwind T = ".concat(newParams.t.toFixed(2));
216
+ b.data.repr = a.data.repr;
217
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
218
+ }
219
+ });
220
+ exports.UnwindStructureAssemblyRepresentation3D = UnwindStructureAssemblyRepresentation3D;
221
+ var ExplodeStructureRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
222
+ name: 'explode-structure-representation-3d',
223
+ display: 'Explode 3D Representation',
224
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
225
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
226
+ params: { t: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 1, step: 0.01 }) }
227
+ })({
228
+ canAutoUpdate: function () {
229
+ return true;
230
+ },
231
+ apply: function (_a) {
232
+ var a = _a.a, params = _a.params;
233
+ var structure = a.data.sourceData;
234
+ var unitTransforms = new unit_transforms_1.StructureUnitTransforms(structure);
235
+ (0, helpers_1.explodeStructure)(structure, unitTransforms, params.t, structure.root.boundary.sphere);
236
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
237
+ state: { unitTransforms: unitTransforms },
238
+ initialState: { unitTransforms: new unit_transforms_1.StructureUnitTransforms(structure) },
239
+ info: structure,
240
+ repr: a.data.repr
241
+ }, { label: "Explode T = ".concat(params.t.toFixed(2)) });
242
+ },
243
+ update: function (_a) {
244
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
245
+ var structure = a.data.sourceData;
246
+ if (b.data.info !== structure)
247
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
248
+ if (a.data.repr !== b.data.repr)
249
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
250
+ if (oldParams.t === newParams.t)
251
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
252
+ var unitTransforms = b.data.state.unitTransforms;
253
+ (0, helpers_1.explodeStructure)(structure, unitTransforms, newParams.t, structure.root.boundary.sphere);
254
+ b.label = "Explode T = ".concat(newParams.t.toFixed(2));
255
+ b.data.repr = a.data.repr;
256
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
257
+ }
258
+ });
259
+ exports.ExplodeStructureRepresentation3D = ExplodeStructureRepresentation3D;
260
+ var SpinStructureRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
261
+ name: 'spin-structure-representation-3d',
262
+ display: 'Spin 3D Representation',
263
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
264
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
265
+ params: (0, tslib_1.__assign)({ t: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 1, step: 0.01 }) }, helpers_1.SpinStructureParams)
266
+ })({
267
+ canAutoUpdate: function () {
268
+ return true;
269
+ },
270
+ apply: function (_a) {
271
+ var a = _a.a, params = _a.params;
272
+ var structure = a.data.sourceData;
273
+ var unitTransforms = new unit_transforms_1.StructureUnitTransforms(structure);
274
+ var _b = (0, helpers_1.getSpinStructureAxisAndOrigin)(structure.root, params), axis = _b.axis, origin = _b.origin;
275
+ (0, helpers_1.spinStructure)(structure, unitTransforms, params.t, axis, origin);
276
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
277
+ state: { unitTransforms: unitTransforms },
278
+ initialState: { unitTransforms: new unit_transforms_1.StructureUnitTransforms(structure) },
279
+ info: structure,
280
+ repr: a.data.repr
281
+ }, { label: "Spin T = ".concat(params.t.toFixed(2)) });
282
+ },
283
+ update: function (_a) {
284
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
285
+ var structure = a.data.sourceData;
286
+ if (b.data.info !== structure)
287
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
288
+ if (a.data.repr !== b.data.repr)
289
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
290
+ if (oldParams.t === newParams.t && oldParams.axis === newParams.axis && oldParams.origin === newParams.origin)
291
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
292
+ var unitTransforms = b.data.state.unitTransforms;
293
+ var _b = (0, helpers_1.getSpinStructureAxisAndOrigin)(structure.root, newParams), axis = _b.axis, origin = _b.origin;
294
+ (0, helpers_1.spinStructure)(structure, unitTransforms, newParams.t, axis, origin);
295
+ b.label = "Spin T = ".concat(newParams.t.toFixed(2));
296
+ b.data.repr = a.data.repr;
297
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
298
+ }
299
+ });
300
+ exports.SpinStructureRepresentation3D = SpinStructureRepresentation3D;
301
+ var OverpaintStructureRepresentation3DFromScript = objects_1.PluginStateTransform.BuiltIn({
302
+ name: 'overpaint-structure-representation-3d-from-script',
303
+ display: 'Overpaint 3D Representation',
304
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
305
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
306
+ params: function () { return ({
307
+ layers: param_definition_1.ParamDefinition.ObjectList({
308
+ script: param_definition_1.ParamDefinition.Script((0, script_1.Script)('(sel.atom.all)', 'mol-script')),
309
+ color: param_definition_1.ParamDefinition.Color(names_1.ColorNames.blueviolet),
310
+ clear: param_definition_1.ParamDefinition.Boolean(false)
311
+ }, function (e) { return "".concat(e.clear ? 'Clear' : color_1.Color.toRgbString(e.color)); }, {
312
+ defaultValue: [{
313
+ script: (0, script_1.Script)('(sel.atom.all)', 'mol-script'),
314
+ color: names_1.ColorNames.blueviolet,
315
+ clear: false
316
+ }]
317
+ }),
318
+ }); }
319
+ })({
320
+ canAutoUpdate: function () {
321
+ return true;
322
+ },
323
+ apply: function (_a) {
324
+ var a = _a.a, params = _a.params;
325
+ var structure = a.data.sourceData;
326
+ var geometryVersion = a.data.repr.geometryVersion;
327
+ var overpaint = overpaint_1.Overpaint.ofScript(params.layers, structure);
328
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
329
+ state: { overpaint: overpaint },
330
+ initialState: { overpaint: overpaint_1.Overpaint.Empty },
331
+ info: { structure: structure, geometryVersion: geometryVersion },
332
+ repr: a.data.repr
333
+ }, { label: "Overpaint (".concat(overpaint.layers.length, " Layers)") });
334
+ },
335
+ update: function (_a) {
336
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
337
+ var info = b.data.info;
338
+ var newStructure = a.data.sourceData;
339
+ if (newStructure !== info.structure)
340
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
341
+ if (a.data.repr !== b.data.repr)
342
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
343
+ var newGeometryVersion = a.data.repr.geometryVersion;
344
+ // smoothing needs to be re-calculated when geometry changes
345
+ if (newGeometryVersion !== info.geometryVersion && (0, base_1.hasColorSmoothingProp)(a.data.repr.props))
346
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
347
+ var oldOverpaint = b.data.state.overpaint;
348
+ var newOverpaint = overpaint_1.Overpaint.ofScript(newParams.layers, newStructure);
349
+ if (overpaint_1.Overpaint.areEqual(oldOverpaint, newOverpaint))
350
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
351
+ info.geometryVersion = newGeometryVersion;
352
+ b.data.state.overpaint = newOverpaint;
353
+ b.data.repr = a.data.repr;
354
+ b.label = "Overpaint (".concat(newOverpaint.layers.length, " Layers)");
355
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
356
+ }
357
+ });
358
+ exports.OverpaintStructureRepresentation3DFromScript = OverpaintStructureRepresentation3DFromScript;
359
+ var OverpaintStructureRepresentation3DFromBundle = objects_1.PluginStateTransform.BuiltIn({
360
+ name: 'overpaint-structure-representation-3d-from-bundle',
361
+ display: 'Overpaint 3D Representation',
362
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
363
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
364
+ params: function () { return ({
365
+ layers: param_definition_1.ParamDefinition.ObjectList({
366
+ bundle: param_definition_1.ParamDefinition.Value(structure_1.StructureElement.Bundle.Empty),
367
+ color: param_definition_1.ParamDefinition.Color(names_1.ColorNames.blueviolet),
368
+ clear: param_definition_1.ParamDefinition.Boolean(false)
369
+ }, function (e) { return "".concat(e.clear ? 'Clear' : color_1.Color.toRgbString(e.color)); }, {
370
+ defaultValue: [{
371
+ bundle: structure_1.StructureElement.Bundle.Empty,
372
+ color: names_1.ColorNames.blueviolet,
373
+ clear: false
374
+ }],
375
+ isHidden: true
376
+ }),
377
+ }); }
378
+ })({
379
+ canAutoUpdate: function () {
380
+ return true;
381
+ },
382
+ apply: function (_a) {
383
+ var a = _a.a, params = _a.params;
384
+ var structure = a.data.sourceData;
385
+ var geometryVersion = a.data.repr.geometryVersion;
386
+ var overpaint = overpaint_1.Overpaint.ofBundle(params.layers, structure);
387
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
388
+ state: { overpaint: overpaint },
389
+ initialState: { overpaint: overpaint_1.Overpaint.Empty },
390
+ info: { structure: structure, geometryVersion: geometryVersion },
391
+ repr: a.data.repr
392
+ }, { label: "Overpaint (".concat(overpaint.layers.length, " Layers)") });
393
+ },
394
+ update: function (_a) {
395
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
396
+ var info = b.data.info;
397
+ var newStructure = a.data.sourceData;
398
+ if (newStructure !== info.structure)
399
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
400
+ if (a.data.repr !== b.data.repr)
401
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
402
+ var newGeometryVersion = a.data.repr.geometryVersion;
403
+ // smoothing needs to be re-calculated when geometry changes
404
+ if (newGeometryVersion !== info.geometryVersion && (0, base_1.hasColorSmoothingProp)(a.data.repr.props))
405
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
406
+ var oldOverpaint = b.data.state.overpaint;
407
+ var newOverpaint = overpaint_1.Overpaint.ofBundle(newParams.layers, newStructure);
408
+ if (overpaint_1.Overpaint.areEqual(oldOverpaint, newOverpaint))
409
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
410
+ info.geometryVersion = newGeometryVersion;
411
+ b.data.state.overpaint = newOverpaint;
412
+ b.data.repr = a.data.repr;
413
+ b.label = "Overpaint (".concat(newOverpaint.layers.length, " Layers)");
414
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
415
+ }
416
+ });
417
+ exports.OverpaintStructureRepresentation3DFromBundle = OverpaintStructureRepresentation3DFromBundle;
418
+ var TransparencyStructureRepresentation3DFromScript = objects_1.PluginStateTransform.BuiltIn({
419
+ name: 'transparency-structure-representation-3d-from-script',
420
+ display: 'Transparency 3D Representation',
421
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
422
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
423
+ params: function () { return ({
424
+ layers: param_definition_1.ParamDefinition.ObjectList({
425
+ script: param_definition_1.ParamDefinition.Script((0, script_1.Script)('(sel.atom.all)', 'mol-script')),
426
+ value: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 1, step: 0.01 }, { label: 'Transparency' }),
427
+ }, function (e) { return "Transparency (".concat(e.value, ")"); }, {
428
+ defaultValue: [{
429
+ script: (0, script_1.Script)('(sel.atom.all)', 'mol-script'),
430
+ value: 0.5,
431
+ }]
432
+ })
433
+ }); }
434
+ })({
435
+ canAutoUpdate: function () {
436
+ return true;
437
+ },
438
+ apply: function (_a) {
439
+ var a = _a.a, params = _a.params;
440
+ var structure = a.data.sourceData;
441
+ var geometryVersion = a.data.repr.geometryVersion;
442
+ var transparency = transparency_1.Transparency.ofScript(params.layers, structure);
443
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
444
+ state: { transparency: transparency },
445
+ initialState: { transparency: transparency_1.Transparency.Empty },
446
+ info: { structure: structure, geometryVersion: geometryVersion },
447
+ repr: a.data.repr
448
+ }, { label: "Transparency (".concat(transparency.layers.length, " Layers)") });
449
+ },
450
+ update: function (_a) {
451
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
452
+ var info = b.data.info;
453
+ var newStructure = a.data.sourceData;
454
+ if (newStructure !== info.structure)
455
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
456
+ if (a.data.repr !== b.data.repr)
457
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
458
+ var newGeometryVersion = a.data.repr.geometryVersion;
459
+ // smoothing needs to be re-calculated when geometry changes
460
+ if (newGeometryVersion !== info.geometryVersion && (0, base_1.hasColorSmoothingProp)(a.data.repr.props))
461
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
462
+ var oldTransparency = b.data.state.transparency;
463
+ var newTransparency = transparency_1.Transparency.ofScript(newParams.layers, newStructure);
464
+ if (transparency_1.Transparency.areEqual(oldTransparency, newTransparency))
465
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
466
+ info.geometryVersion = newGeometryVersion;
467
+ b.data.state.transparency = newTransparency;
468
+ b.data.repr = a.data.repr;
469
+ b.label = "Transparency (".concat(newTransparency.layers.length, " Layers)");
470
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
471
+ }
472
+ });
473
+ exports.TransparencyStructureRepresentation3DFromScript = TransparencyStructureRepresentation3DFromScript;
474
+ var TransparencyStructureRepresentation3DFromBundle = objects_1.PluginStateTransform.BuiltIn({
475
+ name: 'transparency-structure-representation-3d-from-bundle',
476
+ display: 'Transparency 3D Representation',
477
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
478
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
479
+ params: function () { return ({
480
+ layers: param_definition_1.ParamDefinition.ObjectList({
481
+ bundle: param_definition_1.ParamDefinition.Value(structure_1.StructureElement.Bundle.Empty),
482
+ value: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 1, step: 0.01 }, { label: 'Transparency' }),
483
+ }, function (e) { return "Transparency (".concat(e.value, ")"); }, {
484
+ defaultValue: [{
485
+ bundle: structure_1.StructureElement.Bundle.Empty,
486
+ value: 0.5,
487
+ }],
488
+ isHidden: true
489
+ })
490
+ }); }
491
+ })({
492
+ canAutoUpdate: function () {
493
+ return true;
494
+ },
495
+ apply: function (_a) {
496
+ var a = _a.a, params = _a.params;
497
+ var structure = a.data.sourceData;
498
+ var geometryVersion = a.data.repr.geometryVersion;
499
+ var transparency = transparency_1.Transparency.ofBundle(params.layers, structure);
500
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
501
+ state: { transparency: transparency },
502
+ initialState: { transparency: transparency_1.Transparency.Empty },
503
+ info: { structure: structure, geometryVersion: geometryVersion },
504
+ repr: a.data.repr
505
+ }, { label: "Transparency (".concat(transparency.layers.length, " Layers)") });
506
+ },
507
+ update: function (_a) {
508
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
509
+ var info = b.data.info;
510
+ var newStructure = a.data.sourceData;
511
+ if (newStructure !== info.structure)
512
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
513
+ if (a.data.repr !== b.data.repr)
514
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
515
+ var newGeometryVersion = a.data.repr.geometryVersion;
516
+ // smoothing needs to be re-calculated when geometry changes
517
+ if (newGeometryVersion !== info.geometryVersion && (0, base_1.hasColorSmoothingProp)(a.data.repr.props))
518
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
519
+ var oldTransparency = b.data.state.transparency;
520
+ var newTransparency = transparency_1.Transparency.ofBundle(newParams.layers, newStructure);
521
+ if (transparency_1.Transparency.areEqual(oldTransparency, newTransparency))
522
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
523
+ info.geometryVersion = newGeometryVersion;
524
+ b.data.state.transparency = newTransparency;
525
+ b.data.repr = a.data.repr;
526
+ b.label = "Transparency (".concat(newTransparency.layers.length, " Layers)");
527
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
528
+ }
529
+ });
530
+ exports.TransparencyStructureRepresentation3DFromBundle = TransparencyStructureRepresentation3DFromBundle;
531
+ var SubstanceStructureRepresentation3DFromScript = objects_1.PluginStateTransform.BuiltIn({
532
+ name: 'substance-structure-representation-3d-from-script',
533
+ display: 'Substance 3D Representation',
534
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
535
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
536
+ params: function () { return ({
537
+ layers: param_definition_1.ParamDefinition.ObjectList({
538
+ script: param_definition_1.ParamDefinition.Script((0, script_1.Script)('(sel.atom.all)', 'mol-script')),
539
+ material: material_1.Material.getParam(),
540
+ clear: param_definition_1.ParamDefinition.Boolean(false)
541
+ }, function (e) { return "".concat(e.clear ? 'Clear' : material_1.Material.toString(e.material)); }, {
542
+ defaultValue: [{
543
+ script: (0, script_1.Script)('(sel.atom.all)', 'mol-script'),
544
+ material: (0, material_1.Material)({ roughness: 1 }),
545
+ clear: false
546
+ }]
547
+ }),
548
+ }); }
549
+ })({
550
+ canAutoUpdate: function () {
551
+ return true;
552
+ },
553
+ apply: function (_a) {
554
+ var a = _a.a, params = _a.params;
555
+ var structure = a.data.sourceData;
556
+ var geometryVersion = a.data.repr.geometryVersion;
557
+ var substance = substance_1.Substance.ofScript(params.layers, structure);
558
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
559
+ state: { substance: substance },
560
+ initialState: { substance: substance_1.Substance.Empty },
561
+ info: { structure: structure, geometryVersion: geometryVersion },
562
+ repr: a.data.repr
563
+ }, { label: "Substance (".concat(substance.layers.length, " Layers)") });
564
+ },
565
+ update: function (_a) {
566
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
567
+ var info = b.data.info;
568
+ var newStructure = a.data.sourceData;
569
+ if (newStructure !== info.structure)
570
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
571
+ if (a.data.repr !== b.data.repr)
572
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
573
+ var newGeometryVersion = a.data.repr.geometryVersion;
574
+ // smoothing needs to be re-calculated when geometry changes
575
+ if (newGeometryVersion !== info.geometryVersion && (0, base_1.hasColorSmoothingProp)(a.data.repr.props))
576
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
577
+ var oldSubstance = b.data.state.substance;
578
+ var newSubstance = substance_1.Substance.ofScript(newParams.layers, newStructure);
579
+ if (substance_1.Substance.areEqual(oldSubstance, newSubstance))
580
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
581
+ info.geometryVersion = newGeometryVersion;
582
+ b.data.state.substance = newSubstance;
583
+ b.data.repr = a.data.repr;
584
+ b.label = "Substance (".concat(newSubstance.layers.length, " Layers)");
585
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
586
+ }
587
+ });
588
+ exports.SubstanceStructureRepresentation3DFromScript = SubstanceStructureRepresentation3DFromScript;
589
+ var SubstanceStructureRepresentation3DFromBundle = objects_1.PluginStateTransform.BuiltIn({
590
+ name: 'substance-structure-representation-3d-from-bundle',
591
+ display: 'Substance 3D Representation',
592
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
593
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
594
+ params: function () { return ({
595
+ layers: param_definition_1.ParamDefinition.ObjectList({
596
+ bundle: param_definition_1.ParamDefinition.Value(structure_1.StructureElement.Bundle.Empty),
597
+ material: material_1.Material.getParam(),
598
+ clear: param_definition_1.ParamDefinition.Boolean(false)
599
+ }, function (e) { return "".concat(e.clear ? 'Clear' : material_1.Material.toString(e.material)); }, {
600
+ defaultValue: [{
601
+ bundle: structure_1.StructureElement.Bundle.Empty,
602
+ material: (0, material_1.Material)({ roughness: 1 }),
603
+ clear: false
604
+ }],
605
+ isHidden: true
606
+ }),
607
+ }); }
608
+ })({
609
+ canAutoUpdate: function () {
610
+ return true;
611
+ },
612
+ apply: function (_a) {
613
+ var a = _a.a, params = _a.params;
614
+ var structure = a.data.sourceData;
615
+ var geometryVersion = a.data.repr.geometryVersion;
616
+ var substance = substance_1.Substance.ofBundle(params.layers, structure);
617
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
618
+ state: { substance: substance },
619
+ initialState: { substance: substance_1.Substance.Empty },
620
+ info: { structure: structure, geometryVersion: geometryVersion },
621
+ repr: a.data.repr
622
+ }, { label: "Substance (".concat(substance.layers.length, " Layers)") });
623
+ },
624
+ update: function (_a) {
625
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
626
+ var info = b.data.info;
627
+ var newStructure = a.data.sourceData;
628
+ if (newStructure !== info.structure)
629
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
630
+ if (a.data.repr !== b.data.repr)
631
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
632
+ var newGeometryVersion = a.data.repr.geometryVersion;
633
+ // smoothing needs to be re-calculated when geometry changes
634
+ if (newGeometryVersion !== info.geometryVersion && (0, base_1.hasColorSmoothingProp)(a.data.repr.props))
635
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
636
+ var oldSubstance = b.data.state.substance;
637
+ var newSubstance = substance_1.Substance.ofBundle(newParams.layers, newStructure);
638
+ if (substance_1.Substance.areEqual(oldSubstance, newSubstance))
639
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
640
+ info.geometryVersion = newGeometryVersion;
641
+ b.data.state.substance = newSubstance;
642
+ b.data.repr = a.data.repr;
643
+ b.label = "Substance (".concat(newSubstance.layers.length, " Layers)");
644
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
645
+ }
646
+ });
647
+ exports.SubstanceStructureRepresentation3DFromBundle = SubstanceStructureRepresentation3DFromBundle;
648
+ var ClippingStructureRepresentation3DFromScript = objects_1.PluginStateTransform.BuiltIn({
649
+ name: 'clipping-structure-representation-3d-from-script',
650
+ display: 'Clipping 3D Representation',
651
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
652
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
653
+ params: function () { return ({
654
+ layers: param_definition_1.ParamDefinition.ObjectList({
655
+ script: param_definition_1.ParamDefinition.Script((0, script_1.Script)('(sel.atom.all)', 'mol-script')),
656
+ groups: param_definition_1.ParamDefinition.Converted(function (g) { return clipping_1.Clipping.Groups.toNames(g); }, function (n) { return clipping_1.Clipping.Groups.fromNames(n); }, param_definition_1.ParamDefinition.MultiSelect((0, type_helpers_1.ObjectKeys)(clipping_1.Clipping.Groups.Names), param_definition_1.ParamDefinition.objectToOptions(clipping_1.Clipping.Groups.Names))),
657
+ }, function (e) { return "".concat(clipping_1.Clipping.Groups.toNames(e.groups).length, " group(s)"); }, {
658
+ defaultValue: [{
659
+ script: (0, script_1.Script)('(sel.atom.all)', 'mol-script'),
660
+ groups: 0 /* None */,
661
+ }]
662
+ }),
663
+ }); }
664
+ })({
665
+ canAutoUpdate: function () {
666
+ return true;
667
+ },
668
+ apply: function (_a) {
669
+ var a = _a.a, params = _a.params;
670
+ var structure = a.data.sourceData;
671
+ var clipping = clipping_1.Clipping.ofScript(params.layers, structure);
672
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
673
+ state: { clipping: clipping },
674
+ initialState: { clipping: clipping_1.Clipping.Empty },
675
+ info: structure,
676
+ repr: a.data.repr
677
+ }, { label: "Clipping (".concat(clipping.layers.length, " Layers)") });
678
+ },
679
+ update: function (_a) {
680
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
681
+ var structure = b.data.info;
682
+ if (a.data.sourceData !== structure)
683
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
684
+ if (a.data.repr !== b.data.repr)
685
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
686
+ var oldClipping = b.data.state.clipping;
687
+ var newClipping = clipping_1.Clipping.ofScript(newParams.layers, structure);
688
+ if (clipping_1.Clipping.areEqual(oldClipping, newClipping))
689
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
690
+ b.data.state.clipping = newClipping;
691
+ b.data.repr = a.data.repr;
692
+ b.label = "Clipping (".concat(newClipping.layers.length, " Layers)");
693
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
694
+ }
695
+ });
696
+ exports.ClippingStructureRepresentation3DFromScript = ClippingStructureRepresentation3DFromScript;
697
+ var ClippingStructureRepresentation3DFromBundle = objects_1.PluginStateTransform.BuiltIn({
698
+ name: 'clipping-structure-representation-3d-from-bundle',
699
+ display: 'Clipping 3D Representation',
700
+ from: objects_1.PluginStateObject.Molecule.Structure.Representation3D,
701
+ to: objects_1.PluginStateObject.Molecule.Structure.Representation3DState,
702
+ params: function () { return ({
703
+ layers: param_definition_1.ParamDefinition.ObjectList({
704
+ bundle: param_definition_1.ParamDefinition.Value(structure_1.StructureElement.Bundle.Empty),
705
+ groups: param_definition_1.ParamDefinition.Converted(function (g) { return clipping_1.Clipping.Groups.toNames(g); }, function (n) { return clipping_1.Clipping.Groups.fromNames(n); }, param_definition_1.ParamDefinition.MultiSelect((0, type_helpers_1.ObjectKeys)(clipping_1.Clipping.Groups.Names), param_definition_1.ParamDefinition.objectToOptions(clipping_1.Clipping.Groups.Names))),
706
+ }, function (e) { return "".concat(clipping_1.Clipping.Groups.toNames(e.groups).length, " group(s)"); }, {
707
+ defaultValue: [{
708
+ bundle: structure_1.StructureElement.Bundle.Empty,
709
+ groups: 0 /* None */,
710
+ }],
711
+ isHidden: true
712
+ }),
713
+ }); }
714
+ })({
715
+ canAutoUpdate: function () {
716
+ return true;
717
+ },
718
+ apply: function (_a) {
719
+ var a = _a.a, params = _a.params;
720
+ var structure = a.data.sourceData;
721
+ var clipping = clipping_1.Clipping.ofBundle(params.layers, structure);
722
+ return new objects_1.PluginStateObject.Molecule.Structure.Representation3DState({
723
+ state: { clipping: clipping },
724
+ initialState: { clipping: clipping_1.Clipping.Empty },
725
+ info: structure,
726
+ repr: a.data.repr
727
+ }, { label: "Clipping (".concat(clipping.layers.length, " Layers)") });
728
+ },
729
+ update: function (_a) {
730
+ var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
731
+ var structure = b.data.info;
732
+ if (a.data.sourceData !== structure)
733
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
734
+ if (a.data.repr !== b.data.repr)
735
+ return mol_state_1.StateTransformer.UpdateResult.Recreate;
736
+ var oldClipping = b.data.state.clipping;
737
+ var newClipping = clipping_1.Clipping.ofBundle(newParams.layers, structure);
738
+ if (clipping_1.Clipping.areEqual(oldClipping, newClipping))
739
+ return mol_state_1.StateTransformer.UpdateResult.Unchanged;
740
+ b.data.state.clipping = newClipping;
741
+ b.data.repr = a.data.repr;
742
+ b.label = "Clipping (".concat(newClipping.layers.length, " Layers)");
743
+ return mol_state_1.StateTransformer.UpdateResult.Updated;
744
+ }
745
+ });
746
+ exports.ClippingStructureRepresentation3DFromBundle = ClippingStructureRepresentation3DFromBundle;
747
+ //
748
+ var VolumeRepresentation3DHelpers;
749
+ (function (VolumeRepresentation3DHelpers) {
750
+ function getDefaultParams(ctx, name, volume, volumeParams) {
751
+ var type = ctx.representation.volume.registry.get(name);
752
+ var themeDataCtx = { volume: volume };
753
+ var colorParams = ctx.representation.volume.themes.colorThemeRegistry.get(type.defaultColorTheme.name).getParams(themeDataCtx);
754
+ var sizeParams = ctx.representation.volume.themes.sizeThemeRegistry.get(type.defaultSizeTheme.name).getParams(themeDataCtx);
755
+ var volumeDefaultParams = param_definition_1.ParamDefinition.getDefaultValues(type.getParams(ctx.representation.volume.themes, volume));
756
+ return ({
757
+ type: { name: name, params: volumeParams ? (0, tslib_1.__assign)((0, tslib_1.__assign)({}, volumeDefaultParams), volumeParams) : volumeDefaultParams },
758
+ colorTheme: { name: type.defaultColorTheme.name, params: param_definition_1.ParamDefinition.getDefaultValues(colorParams) },
759
+ sizeTheme: { name: type.defaultSizeTheme.name, params: param_definition_1.ParamDefinition.getDefaultValues(sizeParams) }
760
+ });
761
+ }
762
+ VolumeRepresentation3DHelpers.getDefaultParams = getDefaultParams;
763
+ function getDefaultParamsStatic(ctx, name, volumeParams, colorName, colorParams, sizeName, sizeParams) {
764
+ var type = ctx.representation.volume.registry.get(name);
765
+ var colorType = ctx.representation.volume.themes.colorThemeRegistry.get(colorName || type.defaultColorTheme.name);
766
+ var sizeType = ctx.representation.volume.themes.sizeThemeRegistry.get(sizeName || type.defaultSizeTheme.name);
767
+ return ({
768
+ type: { name: name, params: volumeParams ? (0, tslib_1.__assign)((0, tslib_1.__assign)({}, type.defaultValues), volumeParams) : type.defaultValues },
769
+ colorTheme: { name: type.defaultColorTheme.name, params: colorParams ? (0, tslib_1.__assign)((0, tslib_1.__assign)({}, colorType.defaultValues), colorParams) : colorType.defaultValues },
770
+ sizeTheme: { name: type.defaultSizeTheme.name, params: sizeParams ? (0, tslib_1.__assign)((0, tslib_1.__assign)({}, sizeType.defaultValues), sizeParams) : sizeType.defaultValues }
771
+ });
772
+ }
773
+ VolumeRepresentation3DHelpers.getDefaultParamsStatic = getDefaultParamsStatic;
774
+ function getDescription(props) {
775
+ var _a, _b, _c, _d;
776
+ if (props.isoValue) {
777
+ return volume_1.Volume.IsoValue.toString(props.isoValue);
778
+ }
779
+ else if ((_b = (_a = props.renderMode) === null || _a === void 0 ? void 0 : _a.params) === null || _b === void 0 ? void 0 : _b.isoValue) {
780
+ return volume_1.Volume.IsoValue.toString((_d = (_c = props.renderMode) === null || _c === void 0 ? void 0 : _c.params) === null || _d === void 0 ? void 0 : _d.isoValue);
781
+ }
782
+ }
783
+ VolumeRepresentation3DHelpers.getDescription = getDescription;
784
+ })(VolumeRepresentation3DHelpers = exports.VolumeRepresentation3DHelpers || (exports.VolumeRepresentation3DHelpers = {}));
785
+ var VolumeRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
786
+ name: 'volume-representation-3d',
787
+ display: '3D Representation',
788
+ from: objects_1.PluginStateObject.Volume.Data,
789
+ to: objects_1.PluginStateObject.Volume.Representation3D,
790
+ params: function (a, ctx) {
791
+ var _a = ctx.representation.volume, registry = _a.registry, themeCtx = _a.themes;
792
+ var type = registry.get(registry.default.name);
793
+ if (!a) {
794
+ return {
795
+ type: param_definition_1.ParamDefinition.Mapped(registry.default.name, registry.types, function (name) { return param_definition_1.ParamDefinition.Group(registry.get(name).getParams(themeCtx, volume_1.Volume.One)); }),
796
+ colorTheme: param_definition_1.ParamDefinition.Mapped(type.defaultColorTheme.name, themeCtx.colorThemeRegistry.types, function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.colorThemeRegistry.get(name).getParams({ volume: volume_1.Volume.One })); }),
797
+ sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.types, function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams({ volume: volume_1.Volume.One })); })
798
+ };
799
+ }
800
+ var dataCtx = { volume: a.data };
801
+ return ({
802
+ type: param_definition_1.ParamDefinition.Mapped(registry.default.name, registry.types, function (name) { return param_definition_1.ParamDefinition.Group(registry.get(name).getParams(themeCtx, a.data)); }),
803
+ colorTheme: param_definition_1.ParamDefinition.Mapped(type.defaultColorTheme.name, themeCtx.colorThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.colorThemeRegistry.get(name).getParams(dataCtx)); }),
804
+ sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx)); })
805
+ });
806
+ }
807
+ })({
808
+ canAutoUpdate: function (_a) {
809
+ var oldParams = _a.oldParams, newParams = _a.newParams;
810
+ return oldParams.type.name === newParams.type.name;
811
+ },
812
+ apply: function (_a, plugin) {
813
+ var _this = this;
814
+ var a = _a.a, params = _a.params;
815
+ return mol_task_1.Task.create('Volume Representation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
816
+ var propertyCtx, provider, repr, props;
817
+ var _a;
818
+ return (0, tslib_1.__generator)(this, function (_b) {
819
+ switch (_b.label) {
820
+ case 0:
821
+ propertyCtx = { runtime: ctx, assetManager: plugin.managers.asset };
822
+ provider = plugin.representation.volume.registry.get(params.type.name);
823
+ if (!provider.ensureCustomProperties) return [3 /*break*/, 2];
824
+ return [4 /*yield*/, provider.ensureCustomProperties.attach(propertyCtx, a.data)];
825
+ case 1:
826
+ _b.sent();
827
+ _b.label = 2;
828
+ case 2:
829
+ repr = provider.factory((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.volume.themes), provider.getParams);
830
+ repr.setTheme(theme_1.Theme.create(plugin.representation.volume.themes, { volume: a.data }, params));
831
+ props = params.type.params || {};
832
+ return [4 /*yield*/, repr.createOrUpdate(props, a.data).runInContext(ctx)];
833
+ case 3:
834
+ _b.sent();
835
+ return [2 /*return*/, new objects_1.PluginStateObject.Volume.Representation3D({ repr: repr, sourceData: a.data }, { label: provider.label, description: VolumeRepresentation3DHelpers.getDescription(props) })];
836
+ }
837
+ });
838
+ }); });
839
+ },
840
+ update: function (_a, plugin) {
841
+ var _this = this;
842
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
843
+ return mol_task_1.Task.create('Volume Representation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
844
+ var oldProvider, props;
845
+ var _a;
846
+ return (0, tslib_1.__generator)(this, function (_b) {
847
+ switch (_b.label) {
848
+ case 0:
849
+ if (newParams.type.name !== oldParams.type.name) {
850
+ oldProvider = plugin.representation.volume.registry.get(oldParams.type.name);
851
+ (_a = oldProvider.ensureCustomProperties) === null || _a === void 0 ? void 0 : _a.detach(a.data);
852
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Recreate];
853
+ }
854
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams.type.params);
855
+ b.data.repr.setTheme(theme_1.Theme.create(plugin.representation.volume.themes, { volume: a.data }, newParams));
856
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, a.data).runInContext(ctx)];
857
+ case 1:
858
+ _b.sent();
859
+ b.data.sourceData = a.data;
860
+ b.description = VolumeRepresentation3DHelpers.getDescription(props);
861
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
862
+ }
863
+ });
864
+ }); });
865
+ }
866
+ });
867
+ exports.VolumeRepresentation3D = VolumeRepresentation3D;
868
+ var ShapeRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
869
+ name: 'shape-representation-3d',
870
+ display: '3D Representation',
871
+ from: objects_1.PluginStateObject.Shape.Provider,
872
+ to: objects_1.PluginStateObject.Shape.Representation3D,
873
+ params: function (a, ctx) {
874
+ return a ? a.data.params : base_1.BaseGeometry.Params;
875
+ }
876
+ })({
877
+ canAutoUpdate: function () {
878
+ return true;
879
+ },
880
+ apply: function (_a, plugin) {
881
+ var _this = this;
882
+ var a = _a.a, params = _a.params;
883
+ return mol_task_1.Task.create('Shape Representation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
884
+ var props, repr;
885
+ return (0, tslib_1.__generator)(this, function (_a) {
886
+ switch (_a.label) {
887
+ case 0:
888
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(a.data.params)), params);
889
+ repr = (0, representation_1.ShapeRepresentation)(a.data.getShape, a.data.geometryUtils);
890
+ return [4 /*yield*/, repr.createOrUpdate(props, a.data.data).runInContext(ctx)];
891
+ case 1:
892
+ _a.sent();
893
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: a.data }, { label: a.data.label })];
894
+ }
895
+ });
896
+ }); });
897
+ },
898
+ update: function (_a, plugin) {
899
+ var _this = this;
900
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
901
+ return mol_task_1.Task.create('Shape Representation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
902
+ var props;
903
+ return (0, tslib_1.__generator)(this, function (_a) {
904
+ switch (_a.label) {
905
+ case 0:
906
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
907
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, a.data.data).runInContext(ctx)];
908
+ case 1:
909
+ _a.sent();
910
+ b.data.sourceData = a.data;
911
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
912
+ }
913
+ });
914
+ }); });
915
+ }
916
+ });
917
+ exports.ShapeRepresentation3D = ShapeRepresentation3D;
918
+ var ModelUnitcell3D = objects_1.PluginStateTransform.BuiltIn({
919
+ name: 'model-unitcell-3d',
920
+ display: 'Model Unit Cell',
921
+ from: objects_1.PluginStateObject.Molecule.Model,
922
+ to: objects_1.PluginStateObject.Shape.Representation3D,
923
+ params: function () { return ((0, tslib_1.__assign)({}, unitcell_1.UnitcellParams)); }
924
+ })({
925
+ isApplicable: function (a) { return !!symmetry_1.ModelSymmetry.Provider.get(a.data); },
926
+ canAutoUpdate: function (_a) {
927
+ var oldParams = _a.oldParams, newParams = _a.newParams;
928
+ return true;
929
+ },
930
+ apply: function (_a, plugin) {
931
+ var _this = this;
932
+ var a = _a.a, params = _a.params;
933
+ return mol_task_1.Task.create('Model Unit Cell', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
934
+ var symmetry, data, repr;
935
+ var _a;
936
+ return (0, tslib_1.__generator)(this, function (_b) {
937
+ switch (_b.label) {
938
+ case 0:
939
+ symmetry = symmetry_1.ModelSymmetry.Provider.get(a.data);
940
+ if (!symmetry)
941
+ return [2 /*return*/, mol_state_1.StateObject.Null];
942
+ data = (0, unitcell_1.getUnitcellData)(a.data, symmetry, params);
943
+ repr = (0, unitcell_1.UnitcellRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return unitcell_1.UnitcellParams; });
944
+ return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
945
+ case 1:
946
+ _b.sent();
947
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Unit Cell", description: symmetry.spacegroup.name })];
948
+ }
949
+ });
950
+ }); });
951
+ },
952
+ update: function (_a) {
953
+ var _this = this;
954
+ var a = _a.a, b = _a.b, newParams = _a.newParams;
955
+ return mol_task_1.Task.create('Model Unit Cell', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
956
+ var symmetry, props, data;
957
+ return (0, tslib_1.__generator)(this, function (_a) {
958
+ switch (_a.label) {
959
+ case 0:
960
+ symmetry = symmetry_1.ModelSymmetry.Provider.get(a.data);
961
+ if (!symmetry)
962
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Null];
963
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
964
+ data = (0, unitcell_1.getUnitcellData)(a.data, symmetry, props);
965
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
966
+ case 1:
967
+ _a.sent();
968
+ b.data.sourceData = data;
969
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
970
+ }
971
+ });
972
+ }); });
973
+ }
974
+ });
975
+ exports.ModelUnitcell3D = ModelUnitcell3D;
976
+ var StructureBoundingBox3D = objects_1.PluginStateTransform.BuiltIn({
977
+ name: 'structure-bounding-box-3d',
978
+ display: 'Bounding Box',
979
+ from: objects_1.PluginStateObject.Molecule.Structure,
980
+ to: objects_1.PluginStateObject.Shape.Representation3D,
981
+ params: (0, tslib_1.__assign)({ radius: param_definition_1.ParamDefinition.Numeric(0.05, { min: 0.01, max: 4, step: 0.01 }, { isEssential: true }), color: param_definition_1.ParamDefinition.Color(names_1.ColorNames.red, { isEssential: true }) }, mesh_1.Mesh.Params)
982
+ })({
983
+ canAutoUpdate: function () {
984
+ return true;
985
+ },
986
+ apply: function (_a, plugin) {
987
+ var _this = this;
988
+ var a = _a.a, params = _a.params;
989
+ return mol_task_1.Task.create('Bounding Box', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
990
+ var repr;
991
+ return (0, tslib_1.__generator)(this, function (_a) {
992
+ switch (_a.label) {
993
+ case 0:
994
+ repr = (0, representation_1.ShapeRepresentation)(function (_, data, __, shape) {
995
+ var mesh = (0, shape_1.getBoxMesh)(data.box, data.radius, shape === null || shape === void 0 ? void 0 : shape.geometry);
996
+ return shape_2.Shape.create('Bouding Box', data, mesh, function () { return data.color; }, function () { return 1; }, function () { return 'Bounding Box'; });
997
+ }, mesh_1.Mesh.Utils);
998
+ return [4 /*yield*/, repr.createOrUpdate(params, { box: a.data.boundary.box, radius: params.radius, color: params.color }).runInContext(ctx)];
999
+ case 1:
1000
+ _a.sent();
1001
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: a.data }, { label: "Bounding Box" })];
1002
+ }
1003
+ });
1004
+ }); });
1005
+ },
1006
+ update: function (_a, plugin) {
1007
+ var _this = this;
1008
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
1009
+ return mol_task_1.Task.create('Bounding Box', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1010
+ return (0, tslib_1.__generator)(this, function (_a) {
1011
+ switch (_a.label) {
1012
+ case 0: return [4 /*yield*/, b.data.repr.createOrUpdate(newParams, { box: a.data.boundary.box, radius: newParams.radius, color: newParams.color }).runInContext(ctx)];
1013
+ case 1:
1014
+ _a.sent();
1015
+ b.data.sourceData = a.data;
1016
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
1017
+ }
1018
+ });
1019
+ }); });
1020
+ }
1021
+ });
1022
+ exports.StructureBoundingBox3D = StructureBoundingBox3D;
1023
+ var StructureSelectionsDistance3D = objects_1.PluginStateTransform.BuiltIn({
1024
+ name: 'structure-selections-distance-3d',
1025
+ display: '3D Distance',
1026
+ from: objects_1.PluginStateObject.Molecule.Structure.Selections,
1027
+ to: objects_1.PluginStateObject.Shape.Representation3D,
1028
+ params: function () { return ((0, tslib_1.__assign)({}, distance_1.DistanceParams)); }
1029
+ })({
1030
+ canAutoUpdate: function (_a) {
1031
+ var oldParams = _a.oldParams, newParams = _a.newParams;
1032
+ return true;
1033
+ },
1034
+ apply: function (_a, plugin) {
1035
+ var _this = this;
1036
+ var a = _a.a, params = _a.params;
1037
+ return mol_task_1.Task.create('Structure Distance', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1038
+ var data, repr;
1039
+ var _a;
1040
+ return (0, tslib_1.__generator)(this, function (_b) {
1041
+ switch (_b.label) {
1042
+ case 0:
1043
+ data = (0, helpers_2.getDistanceDataFromStructureSelections)(a.data);
1044
+ repr = (0, distance_1.DistanceRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return distance_1.DistanceParams; });
1045
+ return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
1046
+ case 1:
1047
+ _b.sent();
1048
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Distance" })];
1049
+ }
1050
+ });
1051
+ }); });
1052
+ },
1053
+ update: function (_a, plugin) {
1054
+ var _this = this;
1055
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
1056
+ return mol_task_1.Task.create('Structure Distance', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1057
+ var props, data;
1058
+ return (0, tslib_1.__generator)(this, function (_a) {
1059
+ switch (_a.label) {
1060
+ case 0:
1061
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
1062
+ data = (0, helpers_2.getDistanceDataFromStructureSelections)(a.data);
1063
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
1064
+ case 1:
1065
+ _a.sent();
1066
+ b.data.sourceData = data;
1067
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
1068
+ }
1069
+ });
1070
+ }); });
1071
+ },
1072
+ });
1073
+ exports.StructureSelectionsDistance3D = StructureSelectionsDistance3D;
1074
+ var StructureSelectionsAngle3D = objects_1.PluginStateTransform.BuiltIn({
1075
+ name: 'structure-selections-angle-3d',
1076
+ display: '3D Angle',
1077
+ from: objects_1.PluginStateObject.Molecule.Structure.Selections,
1078
+ to: objects_1.PluginStateObject.Shape.Representation3D,
1079
+ params: function () { return ((0, tslib_1.__assign)({}, angle_1.AngleParams)); }
1080
+ })({
1081
+ canAutoUpdate: function (_a) {
1082
+ var oldParams = _a.oldParams, newParams = _a.newParams;
1083
+ return true;
1084
+ },
1085
+ apply: function (_a, plugin) {
1086
+ var _this = this;
1087
+ var a = _a.a, params = _a.params;
1088
+ return mol_task_1.Task.create('Structure Angle', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1089
+ var data, repr;
1090
+ var _a;
1091
+ return (0, tslib_1.__generator)(this, function (_b) {
1092
+ switch (_b.label) {
1093
+ case 0:
1094
+ data = (0, helpers_2.getAngleDataFromStructureSelections)(a.data);
1095
+ repr = (0, angle_1.AngleRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return angle_1.AngleParams; });
1096
+ return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
1097
+ case 1:
1098
+ _b.sent();
1099
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Angle" })];
1100
+ }
1101
+ });
1102
+ }); });
1103
+ },
1104
+ update: function (_a, plugin) {
1105
+ var _this = this;
1106
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
1107
+ return mol_task_1.Task.create('Structure Angle', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1108
+ var props, data;
1109
+ return (0, tslib_1.__generator)(this, function (_a) {
1110
+ switch (_a.label) {
1111
+ case 0:
1112
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
1113
+ data = (0, helpers_2.getAngleDataFromStructureSelections)(a.data);
1114
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
1115
+ case 1:
1116
+ _a.sent();
1117
+ b.data.sourceData = data;
1118
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
1119
+ }
1120
+ });
1121
+ }); });
1122
+ },
1123
+ });
1124
+ exports.StructureSelectionsAngle3D = StructureSelectionsAngle3D;
1125
+ var StructureSelectionsDihedral3D = objects_1.PluginStateTransform.BuiltIn({
1126
+ name: 'structure-selections-dihedral-3d',
1127
+ display: '3D Dihedral',
1128
+ from: objects_1.PluginStateObject.Molecule.Structure.Selections,
1129
+ to: objects_1.PluginStateObject.Shape.Representation3D,
1130
+ params: function () { return ((0, tslib_1.__assign)({}, dihedral_1.DihedralParams)); }
1131
+ })({
1132
+ canAutoUpdate: function (_a) {
1133
+ var oldParams = _a.oldParams, newParams = _a.newParams;
1134
+ return true;
1135
+ },
1136
+ apply: function (_a, plugin) {
1137
+ var _this = this;
1138
+ var a = _a.a, params = _a.params;
1139
+ return mol_task_1.Task.create('Structure Dihedral', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1140
+ var data, repr;
1141
+ var _a;
1142
+ return (0, tslib_1.__generator)(this, function (_b) {
1143
+ switch (_b.label) {
1144
+ case 0:
1145
+ data = (0, helpers_2.getDihedralDataFromStructureSelections)(a.data);
1146
+ repr = (0, dihedral_1.DihedralRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return dihedral_1.DihedralParams; });
1147
+ return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
1148
+ case 1:
1149
+ _b.sent();
1150
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Dihedral" })];
1151
+ }
1152
+ });
1153
+ }); });
1154
+ },
1155
+ update: function (_a, plugin) {
1156
+ var _this = this;
1157
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
1158
+ return mol_task_1.Task.create('Structure Dihedral', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1159
+ var props, data;
1160
+ return (0, tslib_1.__generator)(this, function (_a) {
1161
+ switch (_a.label) {
1162
+ case 0:
1163
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
1164
+ data = (0, helpers_2.getDihedralDataFromStructureSelections)(a.data);
1165
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
1166
+ case 1:
1167
+ _a.sent();
1168
+ b.data.sourceData = data;
1169
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
1170
+ }
1171
+ });
1172
+ }); });
1173
+ },
1174
+ });
1175
+ exports.StructureSelectionsDihedral3D = StructureSelectionsDihedral3D;
1176
+ var StructureSelectionsLabel3D = objects_1.PluginStateTransform.BuiltIn({
1177
+ name: 'structure-selections-label-3d',
1178
+ display: '3D Label',
1179
+ from: objects_1.PluginStateObject.Molecule.Structure.Selections,
1180
+ to: objects_1.PluginStateObject.Shape.Representation3D,
1181
+ params: function () { return ((0, tslib_1.__assign)({}, label_1.LabelParams)); }
1182
+ })({
1183
+ canAutoUpdate: function (_a) {
1184
+ var oldParams = _a.oldParams, newParams = _a.newParams;
1185
+ return true;
1186
+ },
1187
+ apply: function (_a, plugin) {
1188
+ var _this = this;
1189
+ var a = _a.a, params = _a.params;
1190
+ return mol_task_1.Task.create('Structure Label', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1191
+ var data, repr;
1192
+ var _a;
1193
+ return (0, tslib_1.__generator)(this, function (_b) {
1194
+ switch (_b.label) {
1195
+ case 0:
1196
+ data = (0, helpers_2.getLabelDataFromStructureSelections)(a.data);
1197
+ repr = (0, label_1.LabelRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return label_1.LabelParams; });
1198
+ return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
1199
+ case 1:
1200
+ _b.sent();
1201
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Label" })];
1202
+ }
1203
+ });
1204
+ }); });
1205
+ },
1206
+ update: function (_a, plugin) {
1207
+ var _this = this;
1208
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
1209
+ return mol_task_1.Task.create('Structure Label', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1210
+ var props, data;
1211
+ return (0, tslib_1.__generator)(this, function (_a) {
1212
+ switch (_a.label) {
1213
+ case 0:
1214
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
1215
+ data = (0, helpers_2.getLabelDataFromStructureSelections)(a.data);
1216
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
1217
+ case 1:
1218
+ _a.sent();
1219
+ b.data.sourceData = data;
1220
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
1221
+ }
1222
+ });
1223
+ }); });
1224
+ },
1225
+ });
1226
+ exports.StructureSelectionsLabel3D = StructureSelectionsLabel3D;
1227
+ var StructureSelectionsOrientation3D = objects_1.PluginStateTransform.BuiltIn({
1228
+ name: 'structure-selections-orientation-3d',
1229
+ display: '3D Orientation',
1230
+ from: objects_1.PluginStateObject.Molecule.Structure.Selections,
1231
+ to: objects_1.PluginStateObject.Shape.Representation3D,
1232
+ params: function () { return ((0, tslib_1.__assign)({}, orientation_1.OrientationParams)); }
1233
+ })({
1234
+ canAutoUpdate: function (_a) {
1235
+ var oldParams = _a.oldParams, newParams = _a.newParams;
1236
+ return true;
1237
+ },
1238
+ apply: function (_a, plugin) {
1239
+ var _this = this;
1240
+ var a = _a.a, params = _a.params;
1241
+ return mol_task_1.Task.create('Structure Orientation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1242
+ var data, repr;
1243
+ var _a;
1244
+ return (0, tslib_1.__generator)(this, function (_b) {
1245
+ switch (_b.label) {
1246
+ case 0:
1247
+ data = (0, helpers_2.getOrientationDataFromStructureSelections)(a.data);
1248
+ repr = (0, orientation_1.OrientationRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return orientation_1.OrientationParams; });
1249
+ return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
1250
+ case 1:
1251
+ _b.sent();
1252
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Orientation" })];
1253
+ }
1254
+ });
1255
+ }); });
1256
+ },
1257
+ update: function (_a, plugin) {
1258
+ var _this = this;
1259
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
1260
+ return mol_task_1.Task.create('Structure Orientation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1261
+ var props, data;
1262
+ return (0, tslib_1.__generator)(this, function (_a) {
1263
+ switch (_a.label) {
1264
+ case 0:
1265
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
1266
+ data = (0, helpers_2.getOrientationDataFromStructureSelections)(a.data);
1267
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
1268
+ case 1:
1269
+ _a.sent();
1270
+ b.data.sourceData = data;
1271
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
1272
+ }
1273
+ });
1274
+ }); });
1275
+ },
1276
+ });
1277
+ exports.StructureSelectionsOrientation3D = StructureSelectionsOrientation3D;
1278
+ var StructureSelectionsPlane3D = objects_1.PluginStateTransform.BuiltIn({
1279
+ name: 'structure-selections-plane-3d',
1280
+ display: '3D Plane',
1281
+ from: objects_1.PluginStateObject.Molecule.Structure.Selections,
1282
+ to: objects_1.PluginStateObject.Shape.Representation3D,
1283
+ params: function () { return ((0, tslib_1.__assign)({}, plane_1.PlaneParams)); }
1284
+ })({
1285
+ canAutoUpdate: function (_a) {
1286
+ var oldParams = _a.oldParams, newParams = _a.newParams;
1287
+ return true;
1288
+ },
1289
+ apply: function (_a, plugin) {
1290
+ var _this = this;
1291
+ var a = _a.a, params = _a.params;
1292
+ return mol_task_1.Task.create('Structure Plane', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1293
+ var data, repr;
1294
+ var _a;
1295
+ return (0, tslib_1.__generator)(this, function (_b) {
1296
+ switch (_b.label) {
1297
+ case 0:
1298
+ data = (0, helpers_2.getPlaneDataFromStructureSelections)(a.data);
1299
+ repr = (0, plane_1.PlaneRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return plane_1.PlaneParams; });
1300
+ return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
1301
+ case 1:
1302
+ _b.sent();
1303
+ return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Plane" })];
1304
+ }
1305
+ });
1306
+ }); });
1307
+ },
1308
+ update: function (_a, plugin) {
1309
+ var _this = this;
1310
+ var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
1311
+ return mol_task_1.Task.create('Structure Plane', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
1312
+ var props, data;
1313
+ return (0, tslib_1.__generator)(this, function (_a) {
1314
+ switch (_a.label) {
1315
+ case 0:
1316
+ props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
1317
+ data = (0, helpers_2.getPlaneDataFromStructureSelections)(a.data);
1318
+ return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
1319
+ case 1:
1320
+ _a.sent();
1321
+ b.data.sourceData = data;
1322
+ return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
1323
+ }
1324
+ });
1325
+ }); });
1326
+ },
1327
+ });
1328
+ exports.StructureSelectionsPlane3D = StructureSelectionsPlane3D;
1329
+ //# sourceMappingURL=representation.js.map