molstar 3.0.0-dev.6 → 3.0.0

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 (734) hide show
  1. package/README.md +7 -0
  2. package/build/viewer/index.html +4 -0
  3. package/build/viewer/molstar.js +1 -1
  4. package/lib/apps/viewer/app.d.ts +230 -0
  5. package/lib/apps/viewer/app.js +525 -0
  6. package/lib/apps/viewer/index.d.ts +2 -224
  7. package/lib/apps/viewer/index.html +4 -0
  8. package/lib/apps/viewer/index.js +2 -507
  9. package/lib/commonjs/apps/viewer/app.d.ts +230 -0
  10. package/lib/commonjs/apps/viewer/app.js +531 -0
  11. package/lib/commonjs/apps/viewer/index.d.ts +2 -224
  12. package/lib/commonjs/apps/viewer/index.js +2 -510
  13. package/lib/commonjs/examples/alpha-orbitals/index.js +1 -1
  14. package/lib/commonjs/examples/basic-wrapper/index.js +7 -3
  15. package/lib/commonjs/examples/proteopedia-wrapper/index.js +7 -1
  16. package/lib/commonjs/extensions/anvil/behavior.d.ts +4 -0
  17. package/lib/commonjs/extensions/anvil/representation.d.ts +50 -0
  18. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  19. package/lib/commonjs/extensions/cellpack/representation.d.ts +10 -0
  20. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +30 -0
  21. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +4 -4
  22. package/lib/commonjs/extensions/model-export/export.d.ts +9 -0
  23. package/lib/commonjs/extensions/model-export/export.js +129 -0
  24. package/lib/commonjs/extensions/model-export/index.d.ts +7 -0
  25. package/lib/commonjs/extensions/model-export/index.js +36 -0
  26. package/lib/commonjs/extensions/model-export/ui.d.ts +11 -0
  27. package/lib/commonjs/extensions/model-export/ui.js +77 -0
  28. package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
  29. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -2
  30. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +10 -0
  31. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +2 -2
  32. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +50 -0
  33. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +15 -13
  34. package/lib/commonjs/mol-canvas3d/canvas3d.js +34 -29
  35. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
  36. package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
  37. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
  38. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +4 -0
  39. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  40. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +4 -0
  41. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  42. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  43. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
  44. package/lib/commonjs/mol-canvas3d/passes/draw.js +16 -15
  45. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
  46. package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
  47. package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
  48. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +9 -2
  49. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +14 -12
  50. package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
  51. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +3 -3
  52. package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
  53. package/lib/commonjs/mol-geo/geometry/base.d.ts +18 -0
  54. package/lib/commonjs/mol-geo/geometry/base.js +18 -1
  55. package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
  56. package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
  57. package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
  58. package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
  59. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +10 -0
  60. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
  61. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +15 -38
  62. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +21 -66
  63. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
  64. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
  65. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +10 -0
  66. package/lib/commonjs/mol-geo/geometry/image/image.js +1 -1
  67. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +10 -0
  68. package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
  69. package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
  70. package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
  71. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +10 -0
  72. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
  73. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +10 -0
  74. package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
  75. package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
  76. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +10 -0
  77. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
  78. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +10 -0
  79. package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
  80. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +10 -0
  81. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
  82. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
  83. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
  84. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -9
  85. package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
  86. package/lib/commonjs/mol-gl/render-object.js +10 -10
  87. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +11 -5
  88. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  89. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +15 -14
  90. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  91. package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -4
  92. package/lib/commonjs/mol-gl/renderable/image.js +2 -2
  93. package/lib/commonjs/mol-gl/renderable/lines.d.ts +39 -33
  94. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  95. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +11 -5
  96. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  97. package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -4
  98. package/lib/commonjs/mol-gl/renderable/points.js +2 -2
  99. package/lib/commonjs/mol-gl/renderable/schema.d.ts +10 -11
  100. package/lib/commonjs/mol-gl/renderable/schema.js +4 -10
  101. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +11 -5
  102. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  103. package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -4
  104. package/lib/commonjs/mol-gl/renderable/text.js +2 -2
  105. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +11 -6
  106. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  107. package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
  108. package/lib/commonjs/mol-gl/renderer.d.ts +12 -12
  109. package/lib/commonjs/mol-gl/renderer.js +23 -92
  110. package/lib/commonjs/mol-gl/scene.d.ts +2 -2
  111. package/lib/commonjs/mol-gl/scene.js +7 -5
  112. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +1 -1
  113. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +1 -1
  114. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  115. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  116. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
  117. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
  118. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
  119. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
  120. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  121. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  122. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
  123. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
  124. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
  125. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
  126. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  127. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  128. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  129. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  130. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  131. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
  132. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
  133. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
  134. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
  135. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
  136. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
  137. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
  138. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
  139. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
  140. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  141. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  142. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  143. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  144. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
  145. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
  146. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
  147. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
  148. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  149. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  150. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
  151. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
  152. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  153. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  154. package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
  155. package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
  156. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  157. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  158. package/lib/commonjs/mol-gl/shader-code.d.ts +3 -1
  159. package/lib/commonjs/mol-gl/shader-code.js +43 -14
  160. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
  161. package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
  162. package/lib/commonjs/mol-gl/webgl/resources.js +8 -1
  163. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  164. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
  165. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  166. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
  167. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +2 -2
  168. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
  169. package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
  170. package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
  171. package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
  172. package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
  173. package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
  174. package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
  175. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +6 -0
  176. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +9 -0
  177. package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +3 -1
  178. package/lib/commonjs/mol-io/reader/sdf/parser.js +11 -2
  179. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +9 -2
  180. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
  181. package/lib/commonjs/mol-math/geometry/symmetry-operator.d.ts +1 -1
  182. package/lib/commonjs/mol-math/geometry/symmetry-operator.js +10 -4
  183. package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
  184. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
  185. package/lib/commonjs/mol-model/structure/export/mmcif.d.ts +1 -1
  186. package/lib/commonjs/mol-model/structure/export/mmcif.js +8 -5
  187. package/lib/commonjs/mol-model/structure/model/properties/common.d.ts +1 -1
  188. package/lib/commonjs/mol-model/structure/structure/element/stats.js +8 -0
  189. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -0
  190. package/lib/commonjs/mol-model/structure/structure/properties.js +2 -1
  191. package/lib/commonjs/mol-model/structure/structure/symmetry.js +1 -3
  192. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
  193. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +11 -2
  194. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
  195. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +20 -10
  196. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  197. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +21 -11
  198. package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
  199. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +20 -0
  200. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +2 -2
  201. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +6 -6
  202. package/lib/commonjs/mol-model-formats/structure/basic/coarse.d.ts +1 -1
  203. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  204. package/lib/commonjs/mol-model-formats/structure/basic/entities.d.ts +2 -1
  205. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +28 -24
  206. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +17 -8
  207. package/lib/commonjs/mol-model-formats/structure/basic/properties.d.ts +6 -1
  208. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +12 -22
  209. package/lib/commonjs/mol-model-formats/structure/mol.d.ts +2 -1
  210. package/lib/commonjs/mol-model-formats/structure/mol.js +19 -5
  211. package/lib/commonjs/mol-model-formats/structure/mol2.d.ts +1 -1
  212. package/lib/commonjs/mol-model-formats/structure/mol2.js +37 -7
  213. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  214. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
  215. package/lib/commonjs/mol-model-props/common/custom-property.d.ts +1 -1
  216. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
  217. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
  218. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
  219. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +30 -0
  220. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
  221. package/lib/commonjs/mol-model-props/sequence/best-database-mapping.js +15 -15
  222. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -0
  223. package/lib/commonjs/mol-plugin/animation-loop.js +1 -1
  224. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +4 -6
  225. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
  226. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
  227. package/lib/commonjs/mol-plugin/commands.d.ts +7 -6
  228. package/lib/commonjs/mol-plugin/config.d.ts +1 -2
  229. package/lib/commonjs/mol-plugin/config.js +4 -25
  230. package/lib/commonjs/mol-plugin/features.d.ts +9 -0
  231. package/lib/commonjs/mol-plugin/features.js +38 -0
  232. package/lib/commonjs/mol-plugin/spec.d.ts +1 -1
  233. package/lib/commonjs/mol-plugin/spec.js +4 -1
  234. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +12 -0
  235. package/lib/commonjs/mol-plugin-state/actions/file.d.ts +3 -2
  236. package/lib/commonjs/mol-plugin-state/actions/file.js +67 -31
  237. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -0
  238. package/lib/commonjs/mol-plugin-state/actions/structure.js +41 -8
  239. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  240. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +62 -0
  241. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  242. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
  243. package/lib/commonjs/mol-plugin-state/animation/model.d.ts +4 -0
  244. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
  245. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
  246. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
  247. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +74 -2
  248. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
  249. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +1 -1
  250. package/lib/commonjs/mol-plugin-state/manager/animation.d.ts +5 -1
  251. package/lib/commonjs/mol-plugin-state/manager/animation.js +5 -5
  252. package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +13 -1
  253. package/lib/commonjs/mol-plugin-state/manager/structure/component.js +13 -8
  254. package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -1
  255. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +32 -0
  256. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  257. package/lib/commonjs/mol-plugin-ui/structure/superposition.js +2 -2
  258. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
  259. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -14
  260. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +10 -0
  261. package/lib/commonjs/mol-repr/shape/loci/common.d.ts +10 -0
  262. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +10 -0
  263. package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +10 -0
  264. package/lib/commonjs/mol-repr/shape/loci/label.d.ts +10 -0
  265. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +10 -0
  266. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +10 -0
  267. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +10 -0
  268. package/lib/commonjs/mol-repr/structure/complex-representation.js +1 -1
  269. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +61 -19
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  554. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +21 -11
  555. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  556. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +22 -12
  557. package/lib/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
  558. package/lib/mol-model-formats/shape/ply.d.ts +20 -0
  559. package/lib/mol-model-formats/structure/basic/atomic.d.ts +2 -2
  560. package/lib/mol-model-formats/structure/basic/atomic.js +6 -6
  561. package/lib/mol-model-formats/structure/basic/coarse.d.ts +1 -1
  562. package/lib/mol-model-formats/structure/basic/coarse.js +3 -3
  563. package/lib/mol-model-formats/structure/basic/entities.d.ts +2 -1
  564. package/lib/mol-model-formats/structure/basic/entities.js +25 -22
  565. package/lib/mol-model-formats/structure/basic/parser.js +19 -10
  566. package/lib/mol-model-formats/structure/basic/properties.d.ts +6 -1
  567. package/lib/mol-model-formats/structure/basic/properties.js +12 -25
  568. package/lib/mol-model-formats/structure/mol.d.ts +2 -1
  569. package/lib/mol-model-formats/structure/mol.js +17 -3
  570. package/lib/mol-model-formats/structure/mol2.d.ts +1 -1
  571. package/lib/mol-model-formats/structure/mol2.js +37 -7
  572. package/lib/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  573. package/lib/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
  574. package/lib/mol-model-props/common/custom-property.d.ts +1 -1
  575. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
  576. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
  577. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
  578. package/lib/mol-model-props/computed/representations/interactions.d.ts +30 -0
  579. package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
  580. package/lib/mol-model-props/sequence/best-database-mapping.js +15 -15
  581. package/lib/mol-plugin/animation-loop.d.ts +2 -0
  582. package/lib/mol-plugin/animation-loop.js +1 -1
  583. package/lib/mol-plugin/behavior/dynamic/representation.js +4 -6
  584. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
  585. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
  586. package/lib/mol-plugin/commands.d.ts +7 -6
  587. package/lib/mol-plugin/config.d.ts +1 -2
  588. package/lib/mol-plugin/config.js +3 -23
  589. package/lib/mol-plugin/features.d.ts +9 -0
  590. package/lib/mol-plugin/features.js +35 -0
  591. package/lib/mol-plugin/spec.d.ts +1 -1
  592. package/lib/mol-plugin/spec.js +4 -1
  593. package/lib/mol-plugin/util/viewport-screenshot.d.ts +12 -0
  594. package/lib/mol-plugin/version.js +2 -2
  595. package/lib/mol-plugin-state/actions/file.d.ts +3 -2
  596. package/lib/mol-plugin-state/actions/file.js +67 -31
  597. package/lib/mol-plugin-state/actions/structure.d.ts +1 -0
  598. package/lib/mol-plugin-state/actions/structure.js +41 -8
  599. package/lib/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  600. package/lib/mol-plugin-state/animation/built-in/camera-rock.js +59 -0
  601. package/lib/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  602. package/lib/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
  603. package/lib/mol-plugin-state/animation/model.d.ts +4 -0
  604. package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
  605. package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
  606. package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
  607. package/lib/mol-plugin-state/builder/structure/representation-preset.js +74 -2
  608. package/lib/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
  609. package/lib/mol-plugin-state/helpers/structure-clipping.js +1 -1
  610. package/lib/mol-plugin-state/manager/animation.d.ts +5 -1
  611. package/lib/mol-plugin-state/manager/animation.js +5 -5
  612. package/lib/mol-plugin-state/manager/structure/component.d.ts +13 -1
  613. package/lib/mol-plugin-state/manager/structure/component.js +13 -8
  614. package/lib/mol-plugin-state/manager/structure/selection.js +3 -1
  615. package/lib/mol-plugin-state/transforms/representation.d.ts +32 -0
  616. package/lib/mol-plugin-state/transforms/representation.js +2 -2
  617. package/lib/mol-plugin-ui/structure/superposition.js +2 -2
  618. package/lib/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
  619. package/lib/mol-plugin-ui/viewport/simple-settings.js +6 -14
  620. package/lib/mol-repr/shape/loci/angle.d.ts +10 -0
  621. package/lib/mol-repr/shape/loci/common.d.ts +10 -0
  622. package/lib/mol-repr/shape/loci/dihedral.d.ts +10 -0
  623. package/lib/mol-repr/shape/loci/distance.d.ts +10 -0
  624. package/lib/mol-repr/shape/loci/label.d.ts +10 -0
  625. package/lib/mol-repr/shape/loci/orientation.d.ts +10 -0
  626. package/lib/mol-repr/shape/loci/plane.d.ts +10 -0
  627. package/lib/mol-repr/shape/model/unitcell.d.ts +10 -0
  628. package/lib/mol-repr/structure/complex-representation.js +1 -1
  629. package/lib/mol-repr/structure/complex-visual.d.ts +61 -19
  630. package/lib/mol-repr/structure/params.d.ts +81 -19
  631. package/lib/mol-repr/structure/registry.d.ts +141 -19
  632. package/lib/mol-repr/structure/representation/backbone.d.ts +30 -0
  633. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +30 -0
  634. package/lib/mol-repr/structure/representation/carbohydrate.d.ts +30 -0
  635. package/lib/mol-repr/structure/representation/cartoon.d.ts +30 -0
  636. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +30 -0
  637. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +30 -0
  638. package/lib/mol-repr/structure/representation/gaussian-surface.js +1 -1
  639. package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +34 -58
  640. package/lib/mol-repr/structure/representation/gaussian-volume.js +2 -7
  641. package/lib/mol-repr/structure/representation/label.d.ts +30 -0
  642. package/lib/mol-repr/structure/representation/label.js +1 -1
  643. package/lib/mol-repr/structure/representation/line.d.ts +30 -0
  644. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +30 -0
  645. package/lib/mol-repr/structure/representation/molecular-surface.js +1 -1
  646. package/lib/mol-repr/structure/representation/orientation.d.ts +30 -0
  647. package/lib/mol-repr/structure/representation/point.d.ts +30 -0
  648. package/lib/mol-repr/structure/representation/putty.d.ts +30 -0
  649. package/lib/mol-repr/structure/representation/spacefill.d.ts +30 -0
  650. package/lib/mol-repr/structure/units-representation.js +1 -1
  651. package/lib/mol-repr/structure/units-visual.d.ts +81 -19
  652. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +20 -0
  653. package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +10 -0
  654. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +20 -0
  655. package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +10 -0
  656. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +11 -1
  657. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +8 -4
  658. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +11 -1
  659. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +10 -6
  660. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +11 -1
  661. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +8 -4
  662. package/lib/mol-repr/structure/visual/element-cross.d.ts +10 -0
  663. package/lib/mol-repr/structure/visual/element-point.d.ts +10 -0
  664. package/lib/mol-repr/structure/visual/element-sphere.d.ts +20 -0
  665. package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +10 -0
  666. package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +22 -38
  667. package/lib/mol-repr/structure/visual/gaussian-density-volume.js +8 -6
  668. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +40 -0
  669. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +11 -8
  670. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +10 -0
  671. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +1 -1
  672. package/lib/mol-repr/structure/visual/label-text.d.ts +10 -0
  673. package/lib/mol-repr/structure/visual/label-text.js +1 -2
  674. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +10 -0
  675. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +1 -1
  676. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +10 -0
  677. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +1 -1
  678. package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +10 -0
  679. package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +10 -0
  680. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +10 -0
  681. package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +20 -0
  682. package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +20 -0
  683. package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +10 -0
  684. package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +10 -0
  685. package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +10 -0
  686. package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +10 -0
  687. package/lib/mol-repr/structure/visual/util/common.d.ts +3 -2
  688. package/lib/mol-repr/structure/visual/util/common.js +2 -5
  689. package/lib/mol-repr/structure/visual/util/gaussian.d.ts +7 -6
  690. package/lib/mol-repr/structure/visual/util/gaussian.js +12 -12
  691. package/lib/mol-repr/structure/visual/util/molecular-surface.d.ts +2 -1
  692. package/lib/mol-repr/structure/visual/util/molecular-surface.js +4 -4
  693. package/lib/mol-repr/visual.d.ts +1 -1
  694. package/lib/mol-repr/visual.js +13 -8
  695. package/lib/mol-repr/volume/direct-volume.d.ts +33 -57
  696. package/lib/mol-repr/volume/direct-volume.js +8 -12
  697. package/lib/mol-repr/volume/isosurface.d.ts +60 -0
  698. package/lib/mol-repr/volume/isosurface.js +11 -2
  699. package/lib/mol-repr/volume/registry.d.ts +31 -19
  700. package/lib/mol-repr/volume/representation.d.ts +10 -0
  701. package/lib/mol-repr/volume/slice.d.ts +30 -0
  702. package/lib/mol-repr/volume/slice.js +2 -2
  703. package/lib/mol-repr/volume/util.js +2 -2
  704. package/lib/mol-state/tree/immutable.d.ts +18 -0
  705. package/lib/mol-state/tree/transient.d.ts +3 -4
  706. package/lib/mol-theme/clipping.d.ts +7 -15
  707. package/lib/mol-theme/clipping.js +5 -12
  708. package/lib/mol-theme/color/element-symbol.d.ts +243 -1
  709. package/lib/mol-theme/color/element-symbol.js +10 -5
  710. package/lib/mol-theme/color/entity-id.d.ts +1 -1
  711. package/lib/mol-theme/color/entity-id.js +26 -5
  712. package/lib/mol-theme/color/illustrative.d.ts +100 -29
  713. package/lib/mol-theme/color/illustrative.js +26 -7
  714. package/lib/mol-theme/color/molecule-type.d.ts +19 -1
  715. package/lib/mol-theme/color/molecule-type.js +10 -5
  716. package/lib/mol-theme/color/residue-name.d.ts +77 -1
  717. package/lib/mol-theme/color/residue-name.js +10 -5
  718. package/lib/mol-theme/color/secondary-structure.d.ts +27 -1
  719. package/lib/mol-theme/color/secondary-structure.js +10 -5
  720. package/lib/mol-theme/color/volume-value.d.ts +17 -0
  721. package/lib/mol-theme/color/volume-value.js +52 -0
  722. package/lib/mol-theme/color.d.ts +233 -14
  723. package/lib/mol-theme/color.js +2 -0
  724. package/lib/mol-util/clip.d.ts +49 -0
  725. package/lib/mol-util/clip.js +93 -0
  726. package/lib/mol-util/color/color.d.ts +1 -1
  727. package/lib/mol-util/color/color.js +1 -1
  728. package/lib/mol-util/color/params.d.ts +10 -0
  729. package/lib/mol-util/color/params.js +15 -0
  730. package/lib/mol-util/number-packing.d.ts +11 -0
  731. package/lib/mol-util/{float-packing.js → number-packing.js} +7 -14
  732. package/package.json +36 -35
  733. package/lib/commonjs/mol-util/float-packing.d.ts +0 -15
  734. package/lib/mol-util/float-packing.d.ts +0 -15
@@ -0,0 +1,525 @@
1
+ /**
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+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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+ *
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+ * @author David Sehnal <david.sehnal@gmail.com>
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+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
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+ */
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+ import { __assign, __awaiter, __generator, __spreadArray } from "tslib";
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+ import { ANVILMembraneOrientation } from '../../extensions/anvil/behavior';
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+ import { CellPack } from '../../extensions/cellpack';
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+ import { DnatcoConfalPyramids } from '../../extensions/dnatco';
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+ import { G3DFormat, G3dProvider } from '../../extensions/g3d/format';
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+ import { GeometryExport } from '../../extensions/geo-export';
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+ import { MAQualityAssessment } from '../../extensions/model-archive/quality-assessment/behavior';
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+ import { QualityAssessmentPLDDTPreset, QualityAssessmentQmeanPreset } from '../../extensions/model-archive/quality-assessment/behavior';
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+ import { QualityAssessment } from '../../extensions/model-archive/quality-assessment/prop';
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+ import { ModelExport } from '../../extensions/model-export';
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+ import { Mp4Export } from '../../extensions/mp4-export';
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+ import { PDBeStructureQualityReport } from '../../extensions/pdbe';
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+ import { RCSBAssemblySymmetry, RCSBValidationReport } from '../../extensions/rcsb';
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+ import { DownloadStructure, PdbDownloadProvider } from '../../mol-plugin-state/actions/structure';
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+ import { DownloadDensity } from '../../mol-plugin-state/actions/volume';
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+ import { PresetStructureRepresentations, StructureRepresentationPresetProvider } from '../../mol-plugin-state/builder/structure/representation-preset';
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+ import { createVolumeRepresentationParams } from '../../mol-plugin-state/helpers/volume-representation-params';
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+ import { StateTransforms } from '../../mol-plugin-state/transforms';
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+ import { TrajectoryFromModelAndCoordinates } from '../../mol-plugin-state/transforms/model';
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+ import { createPluginUI } from '../../mol-plugin-ui';
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+ import { DefaultPluginUISpec } from '../../mol-plugin-ui/spec';
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+ import { PluginCommands } from '../../mol-plugin/commands';
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+ import { PluginConfig } from '../../mol-plugin/config';
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+ import { PluginSpec } from '../../mol-plugin/spec';
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+ import { StateObjectRef } from '../../mol-state';
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+ import { Asset } from '../../mol-util/assets';
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+ import '../../mol-util/polyfill';
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+ import { ObjectKeys } from '../../mol-util/type-helpers';
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+ export { PLUGIN_VERSION as version } from '../../mol-plugin/version';
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+ export { setDebugMode, setProductionMode } from '../../mol-util/debug';
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+ var CustomFormats = [
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+ ['g3d', G3dProvider]
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+ ];
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+ var Extensions = {
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+ 'cellpack': PluginSpec.Behavior(CellPack),
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+ 'dnatco-confal-pyramids': PluginSpec.Behavior(DnatcoConfalPyramids),
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+ 'pdbe-structure-quality-report': PluginSpec.Behavior(PDBeStructureQualityReport),
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+ 'rcsb-assembly-symmetry': PluginSpec.Behavior(RCSBAssemblySymmetry),
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+ 'rcsb-validation-report': PluginSpec.Behavior(RCSBValidationReport),
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+ 'anvil-membrane-orientation': PluginSpec.Behavior(ANVILMembraneOrientation),
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+ 'g3d': PluginSpec.Behavior(G3DFormat),
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+ 'model-export': PluginSpec.Behavior(ModelExport),
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+ 'mp4-export': PluginSpec.Behavior(Mp4Export),
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+ 'geo-export': PluginSpec.Behavior(GeometryExport),
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+ 'ma-quality-assessment': PluginSpec.Behavior(MAQualityAssessment),
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+ };
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+ var DefaultViewerOptions = {
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+ customFormats: CustomFormats,
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+ extensions: ObjectKeys(Extensions),
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+ layoutIsExpanded: true,
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+ layoutShowControls: true,
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+ layoutShowRemoteState: true,
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+ layoutControlsDisplay: 'reactive',
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+ layoutShowSequence: true,
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+ layoutShowLog: true,
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+ layoutShowLeftPanel: true,
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+ collapseLeftPanel: false,
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+ collapseRightPanel: false,
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+ disableAntialiasing: PluginConfig.General.DisableAntialiasing.defaultValue,
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+ pixelScale: PluginConfig.General.PixelScale.defaultValue,
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+ pickScale: PluginConfig.General.PickScale.defaultValue,
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+ pickPadding: PluginConfig.General.PickPadding.defaultValue,
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+ enableWboit: PluginConfig.General.EnableWboit.defaultValue,
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+ preferWebgl1: PluginConfig.General.PreferWebGl1.defaultValue,
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+ viewportShowExpand: PluginConfig.Viewport.ShowExpand.defaultValue,
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+ viewportShowControls: PluginConfig.Viewport.ShowControls.defaultValue,
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+ viewportShowSettings: PluginConfig.Viewport.ShowSettings.defaultValue,
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+ viewportShowSelectionMode: PluginConfig.Viewport.ShowSelectionMode.defaultValue,
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+ viewportShowAnimation: PluginConfig.Viewport.ShowAnimation.defaultValue,
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+ pluginStateServer: PluginConfig.State.DefaultServer.defaultValue,
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+ volumeStreamingServer: PluginConfig.VolumeStreaming.DefaultServer.defaultValue,
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+ volumeStreamingDisabled: !PluginConfig.VolumeStreaming.Enabled.defaultValue,
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+ pdbProvider: PluginConfig.Download.DefaultPdbProvider.defaultValue,
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+ emdbProvider: PluginConfig.Download.DefaultEmdbProvider.defaultValue,
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+ };
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+ var Viewer = /** @class */ (function () {
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+ function Viewer(plugin) {
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+ this.plugin = plugin;
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+ }
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+ Viewer.create = function (elementOrId, options) {
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+ var _a;
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+ if (options === void 0) { options = {}; }
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+ return __awaiter(this, void 0, void 0, function () {
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+ var definedOptions, _i, _b, p, o, defaultSpec, spec, element, plugin;
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+ return __generator(this, function (_c) {
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+ switch (_c.label) {
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+ case 0:
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+ definedOptions = {};
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+ // filter for defined properies only so the default values
96
+ // are property applied
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+ for (_i = 0, _b = Object.keys(options); _i < _b.length; _i++) {
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+ p = _b[_i];
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+ if (options[p] !== void 0)
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+ definedOptions[p] = options[p];
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+ }
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+ o = __assign(__assign({}, DefaultViewerOptions), definedOptions);
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+ defaultSpec = DefaultPluginUISpec();
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+ spec = {
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+ actions: defaultSpec.actions,
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+ behaviors: __spreadArray(__spreadArray([], defaultSpec.behaviors, true), o.extensions.map(function (e) { return Extensions[e]; }), true),
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+ animations: __spreadArray([], defaultSpec.animations || [], true),
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+ customParamEditors: defaultSpec.customParamEditors,
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+ customFormats: o === null || o === void 0 ? void 0 : o.customFormats,
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+ layout: {
111
+ initial: {
112
+ isExpanded: o.layoutIsExpanded,
113
+ showControls: o.layoutShowControls,
114
+ controlsDisplay: o.layoutControlsDisplay,
115
+ regionState: {
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+ bottom: 'full',
117
+ left: o.collapseLeftPanel ? 'collapsed' : 'full',
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+ right: o.collapseRightPanel ? 'hidden' : 'full',
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+ top: 'full',
120
+ }
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+ },
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+ },
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+ components: __assign(__assign({}, defaultSpec.components), { controls: __assign(__assign({}, (_a = defaultSpec.components) === null || _a === void 0 ? void 0 : _a.controls), { top: o.layoutShowSequence ? undefined : 'none', bottom: o.layoutShowLog ? undefined : 'none', left: o.layoutShowLeftPanel ? undefined : 'none' }), remoteState: o.layoutShowRemoteState ? 'default' : 'none' }),
124
+ config: [
125
+ [PluginConfig.General.DisableAntialiasing, o.disableAntialiasing],
126
+ [PluginConfig.General.PixelScale, o.pixelScale],
127
+ [PluginConfig.General.PickScale, o.pickScale],
128
+ [PluginConfig.General.PickPadding, o.pickPadding],
129
+ [PluginConfig.General.EnableWboit, o.enableWboit],
130
+ [PluginConfig.General.PreferWebGl1, o.preferWebgl1],
131
+ [PluginConfig.Viewport.ShowExpand, o.viewportShowExpand],
132
+ [PluginConfig.Viewport.ShowControls, o.viewportShowControls],
133
+ [PluginConfig.Viewport.ShowSettings, o.viewportShowSettings],
134
+ [PluginConfig.Viewport.ShowSelectionMode, o.viewportShowSelectionMode],
135
+ [PluginConfig.Viewport.ShowAnimation, o.viewportShowAnimation],
136
+ [PluginConfig.State.DefaultServer, o.pluginStateServer],
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+ [PluginConfig.State.CurrentServer, o.pluginStateServer],
138
+ [PluginConfig.VolumeStreaming.DefaultServer, o.volumeStreamingServer],
139
+ [PluginConfig.VolumeStreaming.Enabled, !o.volumeStreamingDisabled],
140
+ [PluginConfig.Download.DefaultPdbProvider, o.pdbProvider],
141
+ [PluginConfig.Download.DefaultEmdbProvider, o.emdbProvider],
142
+ [PluginConfig.Structure.DefaultRepresentationPreset, ViewerAutoPreset.id],
143
+ ]
144
+ };
145
+ element = typeof elementOrId === 'string'
146
+ ? document.getElementById(elementOrId)
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+ : elementOrId;
148
+ if (!element)
149
+ throw new Error("Could not get element with id '".concat(elementOrId, "'"));
150
+ return [4 /*yield*/, createPluginUI(element, spec, {
151
+ onBeforeUIRender: function (plugin) {
152
+ // the preset needs to be added before the UI renders otherwise
153
+ // "Download Structure" wont be able to pick it up
154
+ plugin.builders.structure.representation.registerPreset(ViewerAutoPreset);
155
+ }
156
+ })];
157
+ case 1:
158
+ plugin = _c.sent();
159
+ return [2 /*return*/, new Viewer(plugin)];
160
+ }
161
+ });
162
+ });
163
+ };
164
+ Viewer.prototype.setRemoteSnapshot = function (id) {
165
+ var url = "".concat(this.plugin.config.get(PluginConfig.State.CurrentServer), "/get/").concat(id);
166
+ return PluginCommands.State.Snapshots.Fetch(this.plugin, { url: url });
167
+ };
168
+ Viewer.prototype.loadSnapshotFromUrl = function (url, type) {
169
+ return PluginCommands.State.Snapshots.OpenUrl(this.plugin, { url: url, type: type });
170
+ };
171
+ Viewer.prototype.loadStructureFromUrl = function (url, format, isBinary, options) {
172
+ if (format === void 0) { format = 'mmcif'; }
173
+ if (isBinary === void 0) { isBinary = false; }
174
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
175
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
176
+ source: {
177
+ name: 'url',
178
+ params: {
179
+ url: Asset.Url(url),
180
+ format: format,
181
+ isBinary: isBinary,
182
+ options: __assign(__assign({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
183
+ }
184
+ }
185
+ }));
186
+ };
187
+ Viewer.prototype.loadAllModelsOrAssemblyFromUrl = function (url, format, isBinary, options) {
188
+ if (format === void 0) { format = 'mmcif'; }
189
+ if (isBinary === void 0) { isBinary = false; }
190
+ return __awaiter(this, void 0, void 0, function () {
191
+ var plugin, data, trajectory;
192
+ return __generator(this, function (_a) {
193
+ switch (_a.label) {
194
+ case 0:
195
+ plugin = this.plugin;
196
+ return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
197
+ case 1:
198
+ data = _a.sent();
199
+ return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, format)];
200
+ case 2:
201
+ trajectory = _a.sent();
202
+ return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'all-models', { useDefaultIfSingleModel: true, representationPresetParams: options === null || options === void 0 ? void 0 : options.representationParams })];
203
+ case 3:
204
+ _a.sent();
205
+ return [2 /*return*/];
206
+ }
207
+ });
208
+ });
209
+ };
210
+ Viewer.prototype.loadStructureFromData = function (data, format, options) {
211
+ return __awaiter(this, void 0, void 0, function () {
212
+ var _data, trajectory;
213
+ return __generator(this, function (_a) {
214
+ switch (_a.label) {
215
+ case 0: return [4 /*yield*/, this.plugin.builders.data.rawData({ data: data, label: options === null || options === void 0 ? void 0 : options.dataLabel })];
216
+ case 1:
217
+ _data = _a.sent();
218
+ return [4 /*yield*/, this.plugin.builders.structure.parseTrajectory(_data, format)];
219
+ case 2:
220
+ trajectory = _a.sent();
221
+ return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'default')];
222
+ case 3:
223
+ _a.sent();
224
+ return [2 /*return*/];
225
+ }
226
+ });
227
+ });
228
+ };
229
+ Viewer.prototype.loadPdb = function (pdb, options) {
230
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
231
+ var provider = this.plugin.config.get(PluginConfig.Download.DefaultPdbProvider);
232
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
233
+ source: {
234
+ name: 'pdb',
235
+ params: {
236
+ provider: {
237
+ id: pdb,
238
+ server: {
239
+ name: provider,
240
+ params: PdbDownloadProvider[provider].defaultValue
241
+ }
242
+ },
243
+ options: __assign(__assign({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
244
+ }
245
+ }
246
+ }));
247
+ };
248
+ Viewer.prototype.loadPdbDev = function (pdbDev) {
249
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
250
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
251
+ source: {
252
+ name: 'pdb-dev',
253
+ params: {
254
+ provider: {
255
+ id: pdbDev,
256
+ encoding: 'bcif',
257
+ },
258
+ options: params.source.params.options,
259
+ }
260
+ }
261
+ }));
262
+ };
263
+ Viewer.prototype.loadEmdb = function (emdb, options) {
264
+ var _a;
265
+ var provider = this.plugin.config.get(PluginConfig.Download.DefaultEmdbProvider);
266
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadDensity, {
267
+ source: {
268
+ name: 'pdb-emd-ds',
269
+ params: {
270
+ provider: {
271
+ id: emdb,
272
+ server: provider,
273
+ },
274
+ detail: (_a = options === null || options === void 0 ? void 0 : options.detail) !== null && _a !== void 0 ? _a : 3,
275
+ }
276
+ }
277
+ }));
278
+ };
279
+ Viewer.prototype.loadAlphaFoldDb = function (afdb) {
280
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
281
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
282
+ source: {
283
+ name: 'alphafolddb',
284
+ params: {
285
+ id: afdb,
286
+ options: __assign(__assign({}, params.source.params.options), { representation: 'preset-structure-representation-ma-quality-assessment-plddt' }),
287
+ }
288
+ }
289
+ }));
290
+ };
291
+ Viewer.prototype.loadModelArchive = function (id) {
292
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
293
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
294
+ source: {
295
+ name: 'modelarchive',
296
+ params: {
297
+ id: id,
298
+ options: params.source.params.options,
299
+ }
300
+ }
301
+ }));
302
+ };
303
+ /**
304
+ * @example Load X-ray density from volume server
305
+ viewer.loadVolumeFromUrl({
306
+ url: 'https://www.ebi.ac.uk/pdbe/densities/x-ray/1tqn/cell?detail=3',
307
+ format: 'dscif',
308
+ isBinary: true
309
+ }, [{
310
+ type: 'relative',
311
+ value: 1.5,
312
+ color: 0x3362B2
313
+ }, {
314
+ type: 'relative',
315
+ value: 3,
316
+ color: 0x33BB33,
317
+ volumeIndex: 1
318
+ }, {
319
+ type: 'relative',
320
+ value: -3,
321
+ color: 0xBB3333,
322
+ volumeIndex: 1
323
+ }], {
324
+ entryId: ['2FO-FC', 'FO-FC'],
325
+ isLazy: true
326
+ });
327
+ * *********************
328
+ * @example Load EM density from volume server
329
+ viewer.loadVolumeFromUrl({
330
+ url: 'https://maps.rcsb.org/em/emd-30210/cell?detail=6',
331
+ format: 'dscif',
332
+ isBinary: true
333
+ }, [{
334
+ type: 'relative',
335
+ value: 1,
336
+ color: 0x3377aa
337
+ }], {
338
+ entryId: 'EMD-30210',
339
+ isLazy: true
340
+ });
341
+ */
342
+ Viewer.prototype.loadVolumeFromUrl = function (_a, isovalues, options) {
343
+ var url = _a.url, format = _a.format, isBinary = _a.isBinary;
344
+ return __awaiter(this, void 0, void 0, function () {
345
+ var plugin, update;
346
+ var _this = this;
347
+ return __generator(this, function (_b) {
348
+ plugin = this.plugin;
349
+ if (!plugin.dataFormats.get(format)) {
350
+ throw new Error("Unknown density format: ".concat(format));
351
+ }
352
+ if (options === null || options === void 0 ? void 0 : options.isLazy) {
353
+ update = this.plugin.build();
354
+ update.toRoot().apply(StateTransforms.Data.LazyVolume, {
355
+ url: url,
356
+ format: format,
357
+ entryId: options === null || options === void 0 ? void 0 : options.entryId,
358
+ isBinary: isBinary,
359
+ isovalues: isovalues.map(function (v) { return (__assign({ alpha: 1, volumeIndex: 0 }, v)); })
360
+ });
361
+ return [2 /*return*/, update.commit()];
362
+ }
363
+ return [2 /*return*/, plugin.dataTransaction(function () { return __awaiter(_this, void 0, void 0, function () {
364
+ var data, parsed, firstVolume, repr, _i, isovalues_1, iso;
365
+ var _a, _b, _c, _d;
366
+ return __generator(this, function (_e) {
367
+ switch (_e.label) {
368
+ case 0: return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
369
+ case 1:
370
+ data = _e.sent();
371
+ return [4 /*yield*/, plugin.dataFormats.get(format).parse(plugin, data, { entryId: options === null || options === void 0 ? void 0 : options.entryId })];
372
+ case 2:
373
+ parsed = _e.sent();
374
+ firstVolume = (parsed.volume || parsed.volumes[0]);
375
+ if (!(firstVolume === null || firstVolume === void 0 ? void 0 : firstVolume.isOk))
376
+ throw new Error('Failed to parse any volume.');
377
+ repr = plugin.build();
378
+ for (_i = 0, isovalues_1 = isovalues; _i < isovalues_1.length; _i++) {
379
+ iso = isovalues_1[_i];
380
+ repr
381
+ .to((_c = (_a = parsed.volumes) === null || _a === void 0 ? void 0 : _a[(_b = iso.volumeIndex) !== null && _b !== void 0 ? _b : 0]) !== null && _c !== void 0 ? _c : parsed.volume)
382
+ .apply(StateTransforms.Representation.VolumeRepresentation3D, createVolumeRepresentationParams(this.plugin, firstVolume.data, {
383
+ type: 'isosurface',
384
+ typeParams: { alpha: (_d = iso.alpha) !== null && _d !== void 0 ? _d : 1, isoValue: iso.type === 'absolute' ? { kind: 'absolute', absoluteValue: iso.value } : { kind: 'relative', relativeValue: iso.value } },
385
+ color: 'uniform',
386
+ colorParams: { value: iso.color }
387
+ }));
388
+ }
389
+ return [4 /*yield*/, repr.commit()];
390
+ case 3:
391
+ _e.sent();
392
+ return [2 /*return*/];
393
+ }
394
+ });
395
+ }); })];
396
+ });
397
+ });
398
+ };
399
+ /**
400
+ * @example
401
+ * viewer.loadTrajectory({
402
+ * model: { kind: 'model-url', url: 'villin.gro', format: 'gro' },
403
+ * coordinates: { kind: 'coordinates-url', url: 'villin.xtc', format: 'xtc', isBinary: true },
404
+ * preset: 'all-models' // or 'default'
405
+ * });
406
+ */
407
+ Viewer.prototype.loadTrajectory = function (params) {
408
+ var _a, _b;
409
+ return __awaiter(this, void 0, void 0, function () {
410
+ var plugin, model, coords, data, _c, trajectory_1, data, _d, provider, data, _e, provider, trajectory, preset;
411
+ return __generator(this, function (_f) {
412
+ switch (_f.label) {
413
+ case 0:
414
+ plugin = this.plugin;
415
+ if (!(params.model.kind === 'model-data' || params.model.kind === 'model-url')) return [3 /*break*/, 7];
416
+ if (!(params.model.kind === 'model-data')) return [3 /*break*/, 2];
417
+ return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
418
+ case 1:
419
+ _c = _f.sent();
420
+ return [3 /*break*/, 4];
421
+ case 2: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
422
+ case 3:
423
+ _c = _f.sent();
424
+ _f.label = 4;
425
+ case 4:
426
+ data = _c;
427
+ return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, (_a = params.model.format) !== null && _a !== void 0 ? _a : 'mmcif')];
428
+ case 5:
429
+ trajectory_1 = _f.sent();
430
+ return [4 /*yield*/, plugin.builders.structure.createModel(trajectory_1)];
431
+ case 6:
432
+ model = _f.sent();
433
+ return [3 /*break*/, 13];
434
+ case 7:
435
+ if (!(params.model.kind === 'topology-data')) return [3 /*break*/, 9];
436
+ return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
437
+ case 8:
438
+ _d = _f.sent();
439
+ return [3 /*break*/, 11];
440
+ case 9: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
441
+ case 10:
442
+ _d = _f.sent();
443
+ _f.label = 11;
444
+ case 11:
445
+ data = _d;
446
+ provider = plugin.dataFormats.get(params.model.format);
447
+ return [4 /*yield*/, provider.parse(plugin, data)];
448
+ case 12:
449
+ model = _f.sent();
450
+ _f.label = 13;
451
+ case 13:
452
+ if (!(params.coordinates.kind === 'coordinates-data')) return [3 /*break*/, 15];
453
+ return [4 /*yield*/, plugin.builders.data.rawData({ data: params.coordinates.data, label: params.coordinatesLabel })];
454
+ case 14:
455
+ _e = _f.sent();
456
+ return [3 /*break*/, 17];
457
+ case 15: return [4 /*yield*/, plugin.builders.data.download({ url: params.coordinates.url, isBinary: params.coordinates.isBinary, label: params.coordinatesLabel })];
458
+ case 16:
459
+ _e = _f.sent();
460
+ _f.label = 17;
461
+ case 17:
462
+ data = _e;
463
+ provider = plugin.dataFormats.get(params.coordinates.format);
464
+ return [4 /*yield*/, provider.parse(plugin, data)];
465
+ case 18:
466
+ coords = _f.sent();
467
+ return [4 /*yield*/, plugin.build().toRoot()
468
+ .apply(TrajectoryFromModelAndCoordinates, {
469
+ modelRef: model.ref,
470
+ coordinatesRef: coords.ref
471
+ }, { dependsOn: [model.ref, coords.ref] })
472
+ .commit()];
473
+ case 19:
474
+ trajectory = _f.sent();
475
+ return [4 /*yield*/, plugin.builders.structure.hierarchy.applyPreset(trajectory, (_b = params.preset) !== null && _b !== void 0 ? _b : 'default')];
476
+ case 20:
477
+ preset = _f.sent();
478
+ return [2 /*return*/, { model: model, coords: coords, preset: preset }];
479
+ }
480
+ });
481
+ });
482
+ };
483
+ Viewer.prototype.handleResize = function () {
484
+ this.plugin.layout.events.updated.next(void 0);
485
+ };
486
+ return Viewer;
487
+ }());
488
+ export { Viewer };
489
+ export var ViewerAutoPreset = StructureRepresentationPresetProvider({
490
+ id: 'preset-structure-representation-viewer-auto',
491
+ display: {
492
+ name: 'Automatic (w/ Annotation)', group: 'Annotation',
493
+ description: 'Show standard automatic representation but colored by quality assessment (if available in the model).'
494
+ },
495
+ isApplicable: function (a) {
496
+ return (!!a.data.models.some(function (m) { return QualityAssessment.isApplicable(m, 'pLDDT'); }) ||
497
+ !!a.data.models.some(function (m) { return QualityAssessment.isApplicable(m, 'qmean'); }));
498
+ },
499
+ params: function () { return StructureRepresentationPresetProvider.CommonParams; },
500
+ apply: function (ref, params, plugin) {
501
+ var _a;
502
+ return __awaiter(this, void 0, void 0, function () {
503
+ var structureCell, structure;
504
+ return __generator(this, function (_b) {
505
+ switch (_b.label) {
506
+ case 0:
507
+ structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
508
+ structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
509
+ if (!structureCell || !structure)
510
+ return [2 /*return*/, {}];
511
+ if (!!!structure.models.some(function (m) { return QualityAssessment.isApplicable(m, 'pLDDT'); })) return [3 /*break*/, 2];
512
+ return [4 /*yield*/, QualityAssessmentPLDDTPreset.apply(ref, params, plugin)];
513
+ case 1: return [2 /*return*/, _b.sent()];
514
+ case 2:
515
+ if (!!!structure.models.some(function (m) { return QualityAssessment.isApplicable(m, 'qmean'); })) return [3 /*break*/, 4];
516
+ return [4 /*yield*/, QualityAssessmentQmeanPreset.apply(ref, params, plugin)];
517
+ case 3: return [2 /*return*/, _b.sent()];
518
+ case 4: return [4 /*yield*/, PresetStructureRepresentations.auto.apply(ref, params, plugin)];
519
+ case 5: return [2 /*return*/, _b.sent()];
520
+ }
521
+ });
522
+ });
523
+ }
524
+ });
525
+ //# sourceMappingURL=app.js.map