molstar 2.3.9 → 3.0.0-dev.10

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 (3701) hide show
  1. package/README.md +18 -0
  2. package/build/viewer/embedded.html +5 -5
  3. package/build/viewer/index.html +29 -17
  4. package/build/viewer/molstar.css +1 -1
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.d.ts +2 -1
  7. package/lib/apps/docking-viewer/index.html +8 -8
  8. package/lib/apps/docking-viewer/index.js +87 -74
  9. package/lib/apps/docking-viewer/viewport.d.ts +2 -2
  10. package/lib/apps/docking-viewer/viewport.js +18 -15
  11. package/lib/apps/viewer/app.d.ts +230 -0
  12. package/lib/apps/viewer/app.js +515 -0
  13. package/lib/apps/viewer/embedded.html +5 -5
  14. package/lib/apps/viewer/index.d.ts +2 -403
  15. package/lib/apps/viewer/index.html +29 -17
  16. package/lib/apps/viewer/index.js +2 -420
  17. package/lib/cli/chem-comp-dict/util.d.ts +4 -4
  18. package/lib/cli/cifschema/index.d.ts +1 -1
  19. package/lib/cli/cifschema/index.js +15 -35
  20. package/lib/cli/cifschema/util/cif-dic.js +1 -0
  21. package/lib/commonjs/apps/docking-viewer/index.d.ts +2 -1
  22. package/lib/commonjs/apps/docking-viewer/index.js +86 -73
  23. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  24. package/lib/commonjs/apps/docking-viewer/viewport.js +18 -15
  25. package/lib/commonjs/apps/viewer/app.d.ts +230 -0
  26. package/lib/commonjs/apps/viewer/app.js +521 -0
  27. package/lib/commonjs/apps/viewer/index.d.ts +2 -403
  28. package/lib/commonjs/apps/viewer/index.js +2 -423
  29. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +4 -4
  30. package/lib/commonjs/cli/cifschema/index.d.ts +1 -1
  31. package/lib/commonjs/cli/cifschema/index.js +15 -35
  32. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
  33. package/lib/commonjs/examples/alpha-orbitals/index.js +3 -4
  34. package/lib/commonjs/examples/basic-wrapper/index.js +30 -14
  35. package/lib/commonjs/examples/lighting/index.d.ts +1 -1
  36. package/lib/commonjs/examples/lighting/index.js +58 -41
  37. package/lib/commonjs/examples/proteopedia-wrapper/index.js +33 -15
  38. package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +0 -1
  39. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +1 -14
  40. package/lib/commonjs/extensions/anvil/behavior.d.ts +13 -2
  41. package/lib/commonjs/extensions/anvil/representation.d.ts +88 -5
  42. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  43. package/lib/commonjs/extensions/cellpack/model.d.ts +1 -1
  44. package/lib/commonjs/extensions/cellpack/representation.d.ts +19 -2
  45. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  46. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +57 -6
  47. package/lib/commonjs/extensions/geo-export/controls.js +16 -18
  48. package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +5 -3
  49. package/lib/commonjs/extensions/geo-export/glb-exporter.js +49 -27
  50. package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +31 -2
  51. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +91 -19
  52. package/lib/commonjs/extensions/geo-export/obj-exporter.d.ts +1 -0
  53. package/lib/commonjs/extensions/geo-export/obj-exporter.js +24 -15
  54. package/lib/commonjs/extensions/geo-export/ui.js +24 -20
  55. package/lib/commonjs/extensions/geo-export/usdz-exporter.d.ts +3 -5
  56. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +39 -30
  57. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +68 -0
  58. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +236 -0
  59. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +14 -0
  60. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +125 -0
  61. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.d.ts +12 -0
  62. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +111 -0
  63. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.d.ts +28 -0
  64. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +130 -0
  65. package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -0
  66. package/lib/commonjs/extensions/mp4-export/controls.js +10 -8
  67. package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
  68. package/lib/commonjs/extensions/mp4-export/ui.js +7 -6
  69. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
  70. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +17 -6
  71. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
  72. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +1 -1
  73. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +18 -1
  74. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +24 -23
  75. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  76. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +1 -1
  77. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +95 -10
  78. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +39 -27
  79. package/lib/commonjs/mol-canvas3d/canvas3d.js +37 -25
  80. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
  81. package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
  82. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
  83. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +14 -3
  84. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  85. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +12 -1
  86. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  87. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +8 -0
  88. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
  89. package/lib/commonjs/mol-canvas3d/passes/draw.js +19 -26
  90. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +7 -2
  91. package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
  92. package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
  93. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +10 -2
  94. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +18 -14
  95. package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
  96. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +1 -0
  97. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +6 -4
  98. package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
  99. package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
  100. package/lib/commonjs/mol-geo/geometry/base.d.ts +46 -6
  101. package/lib/commonjs/mol-geo/geometry/base.js +69 -7
  102. package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
  103. package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
  104. package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
  105. package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
  106. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +18 -1
  107. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +7 -3
  108. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +21 -39
  109. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +24 -68
  110. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
  111. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
  112. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +16 -1
  113. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -1
  114. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +17 -1
  115. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -1
  116. package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
  117. package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
  118. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +18 -8
  119. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +10 -2
  120. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +188 -35
  121. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +18 -1
  122. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +7 -3
  123. package/lib/commonjs/mol-geo/geometry/overpaint-data.d.ts +7 -2
  124. package/lib/commonjs/mol-geo/geometry/overpaint-data.js +10 -1
  125. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +18 -3
  126. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -1
  127. package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
  128. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +18 -2
  129. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +7 -3
  130. package/lib/commonjs/mol-geo/geometry/substance-data.d.ts +23 -0
  131. package/lib/commonjs/mol-geo/geometry/substance-data.js +68 -0
  132. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +16 -1
  133. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -1
  134. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +8 -3
  135. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +194 -27
  136. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +21 -2
  137. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +8 -3
  138. package/lib/commonjs/mol-geo/geometry/transparency-data.d.ts +7 -2
  139. package/lib/commonjs/mol-geo/geometry/transparency-data.js +10 -1
  140. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
  141. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
  142. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +13 -12
  143. package/lib/commonjs/mol-gl/compute/util.d.ts +25 -6
  144. package/lib/commonjs/mol-gl/compute/util.js +76 -21
  145. package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
  146. package/lib/commonjs/mol-gl/render-object.js +10 -10
  147. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +51 -24
  148. package/lib/commonjs/mol-gl/renderable/cylinders.js +4 -4
  149. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +34 -14
  150. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  151. package/lib/commonjs/mol-gl/renderable/image.d.ts +29 -4
  152. package/lib/commonjs/mol-gl/renderable/image.js +2 -2
  153. package/lib/commonjs/mol-gl/renderable/lines.d.ts +48 -23
  154. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  155. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +48 -21
  156. package/lib/commonjs/mol-gl/renderable/mesh.js +4 -4
  157. package/lib/commonjs/mol-gl/renderable/points.d.ts +29 -4
  158. package/lib/commonjs/mol-gl/renderable/points.js +3 -4
  159. package/lib/commonjs/mol-gl/renderable/schema.d.ts +51 -16
  160. package/lib/commonjs/mol-gl/renderable/schema.js +26 -20
  161. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +51 -24
  162. package/lib/commonjs/mol-gl/renderable/spheres.js +4 -4
  163. package/lib/commonjs/mol-gl/renderable/text.d.ts +29 -4
  164. package/lib/commonjs/mol-gl/renderable/text.js +2 -2
  165. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +46 -19
  166. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  167. package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
  168. package/lib/commonjs/mol-gl/renderer.d.ts +20 -26
  169. package/lib/commonjs/mol-gl/renderer.js +76 -150
  170. package/lib/commonjs/mol-gl/scene.d.ts +2 -2
  171. package/lib/commonjs/mol-gl/scene.js +7 -5
  172. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +3 -3
  173. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +3 -3
  174. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  175. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  176. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
  177. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
  178. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
  179. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
  180. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  181. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  182. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
  183. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
  184. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
  185. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
  186. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  187. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  188. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  189. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  190. package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.d.ts +1 -1
  191. package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +1 -1
  192. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  193. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
  194. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
  195. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
  196. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
  197. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
  198. package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.d.ts +3 -3
  199. package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +3 -3
  200. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
  201. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
  202. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.d.ts +1 -1
  203. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +1 -1
  204. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
  205. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
  206. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.d.ts +1 -1
  207. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +1 -1
  208. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  209. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  210. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  211. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  212. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
  213. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
  214. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
  215. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
  216. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  217. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  218. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
  219. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
  220. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  221. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  222. package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
  223. package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
  224. package/lib/commonjs/mol-gl/shader/postprocessing.frag.d.ts +1 -1
  225. package/lib/commonjs/mol-gl/shader/postprocessing.frag.js +1 -1
  226. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  227. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  228. package/lib/commonjs/mol-gl/shader-code.d.ts +3 -2
  229. package/lib/commonjs/mol-gl/shader-code.js +70 -23
  230. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  231. package/lib/commonjs/mol-gl/webgl/extensions.js +3 -9
  232. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
  233. package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
  234. package/lib/commonjs/mol-gl/webgl/resources.js +9 -2
  235. package/lib/commonjs/mol-gl/webgl/vertex-array.d.ts +3 -2
  236. package/lib/commonjs/mol-gl/webgl/vertex-array.js +9 -2
  237. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +2 -2
  238. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
  239. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +3 -3
  240. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
  241. package/lib/commonjs/mol-io/reader/cif/schema/cif-core.d.ts +8 -5
  242. package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js +15 -5
  243. package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +3 -3
  244. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
  245. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +341 -16
  246. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +326 -1
  247. package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
  248. package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
  249. package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
  250. package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
  251. package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
  252. package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
  253. package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
  254. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +15 -0
  255. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +100 -0
  256. package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +4 -2
  257. package/lib/commonjs/mol-io/reader/sdf/parser.js +23 -6
  258. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
  259. package/lib/commonjs/mol-math/geometry/symmetry-operator.js +3 -2
  260. package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
  261. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
  262. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.d.ts +6 -0
  263. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +9 -0
  264. package/lib/commonjs/mol-model/loci.d.ts +30 -30
  265. package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
  266. package/lib/commonjs/mol-model/structure/model/model.d.ts +1 -0
  267. package/lib/commonjs/mol-model/structure/model/model.js +15 -5
  268. package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.d.ts +6 -1
  269. package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.js +1 -1
  270. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.d.ts +1 -1
  271. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js +4 -1
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  3701. package/lib/tsconfig.commonjs.tsbuildinfo +0 -1
@@ -0,0 +1,515 @@
1
+ /**
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author David Sehnal <david.sehnal@gmail.com>
5
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
+ */
7
+ import { __assign, __awaiter, __generator, __spreadArray } from "tslib";
8
+ import { ANVILMembraneOrientation } from '../../extensions/anvil/behavior';
9
+ import { CellPack } from '../../extensions/cellpack';
10
+ import { DnatcoConfalPyramids } from '../../extensions/dnatco';
11
+ import { G3DFormat, G3dProvider } from '../../extensions/g3d/format';
12
+ import { GeometryExport } from '../../extensions/geo-export';
13
+ import { MAQualityAssessment } from '../../extensions/model-archive/quality-assessment/behavior';
14
+ import { QualityAssessmentPLDDTPreset, QualityAssessmentQmeanPreset } from '../../extensions/model-archive/quality-assessment/behavior';
15
+ import { QualityAssessment } from '../../extensions/model-archive/quality-assessment/prop';
16
+ import { Mp4Export } from '../../extensions/mp4-export';
17
+ import { PDBeStructureQualityReport } from '../../extensions/pdbe';
18
+ import { RCSBAssemblySymmetry, RCSBValidationReport } from '../../extensions/rcsb';
19
+ import { DownloadStructure, PdbDownloadProvider } from '../../mol-plugin-state/actions/structure';
20
+ import { DownloadDensity } from '../../mol-plugin-state/actions/volume';
21
+ import { PresetStructureRepresentations, StructureRepresentationPresetProvider } from '../../mol-plugin-state/builder/structure/representation-preset';
22
+ import { createVolumeRepresentationParams } from '../../mol-plugin-state/helpers/volume-representation-params';
23
+ import { StateTransforms } from '../../mol-plugin-state/transforms';
24
+ import { TrajectoryFromModelAndCoordinates } from '../../mol-plugin-state/transforms/model';
25
+ import { createPluginUI } from '../../mol-plugin-ui';
26
+ import { DefaultPluginUISpec } from '../../mol-plugin-ui/spec';
27
+ import { PluginCommands } from '../../mol-plugin/commands';
28
+ import { PluginConfig } from '../../mol-plugin/config';
29
+ import { PluginSpec } from '../../mol-plugin/spec';
30
+ import { StateObjectRef } from '../../mol-state';
31
+ import { Asset } from '../../mol-util/assets';
32
+ import '../../mol-util/polyfill';
33
+ import { ObjectKeys } from '../../mol-util/type-helpers';
34
+ export { PLUGIN_VERSION as version } from '../../mol-plugin/version';
35
+ export { setDebugMode, setProductionMode } from '../../mol-util/debug';
36
+ var CustomFormats = [
37
+ ['g3d', G3dProvider]
38
+ ];
39
+ var Extensions = {
40
+ 'cellpack': PluginSpec.Behavior(CellPack),
41
+ 'dnatco-confal-pyramids': PluginSpec.Behavior(DnatcoConfalPyramids),
42
+ 'pdbe-structure-quality-report': PluginSpec.Behavior(PDBeStructureQualityReport),
43
+ 'rcsb-assembly-symmetry': PluginSpec.Behavior(RCSBAssemblySymmetry),
44
+ 'rcsb-validation-report': PluginSpec.Behavior(RCSBValidationReport),
45
+ 'anvil-membrane-orientation': PluginSpec.Behavior(ANVILMembraneOrientation),
46
+ 'g3d': PluginSpec.Behavior(G3DFormat),
47
+ 'mp4-export': PluginSpec.Behavior(Mp4Export),
48
+ 'geo-export': PluginSpec.Behavior(GeometryExport),
49
+ 'ma-quality-assessment': PluginSpec.Behavior(MAQualityAssessment),
50
+ };
51
+ var DefaultViewerOptions = {
52
+ customFormats: CustomFormats,
53
+ extensions: ObjectKeys(Extensions),
54
+ layoutIsExpanded: true,
55
+ layoutShowControls: true,
56
+ layoutShowRemoteState: true,
57
+ layoutControlsDisplay: 'reactive',
58
+ layoutShowSequence: true,
59
+ layoutShowLog: true,
60
+ layoutShowLeftPanel: true,
61
+ collapseLeftPanel: false,
62
+ collapseRightPanel: false,
63
+ disableAntialiasing: PluginConfig.General.DisableAntialiasing.defaultValue,
64
+ pixelScale: PluginConfig.General.PixelScale.defaultValue,
65
+ pickScale: PluginConfig.General.PickScale.defaultValue,
66
+ pickPadding: PluginConfig.General.PickPadding.defaultValue,
67
+ enableWboit: PluginConfig.General.EnableWboit.defaultValue,
68
+ preferWebgl1: PluginConfig.General.PreferWebGl1.defaultValue,
69
+ viewportShowExpand: PluginConfig.Viewport.ShowExpand.defaultValue,
70
+ viewportShowControls: PluginConfig.Viewport.ShowControls.defaultValue,
71
+ viewportShowSettings: PluginConfig.Viewport.ShowSettings.defaultValue,
72
+ viewportShowSelectionMode: PluginConfig.Viewport.ShowSelectionMode.defaultValue,
73
+ viewportShowAnimation: PluginConfig.Viewport.ShowAnimation.defaultValue,
74
+ pluginStateServer: PluginConfig.State.DefaultServer.defaultValue,
75
+ volumeStreamingServer: PluginConfig.VolumeStreaming.DefaultServer.defaultValue,
76
+ volumeStreamingDisabled: !PluginConfig.VolumeStreaming.Enabled.defaultValue,
77
+ pdbProvider: PluginConfig.Download.DefaultPdbProvider.defaultValue,
78
+ emdbProvider: PluginConfig.Download.DefaultEmdbProvider.defaultValue,
79
+ };
80
+ var Viewer = /** @class */ (function () {
81
+ function Viewer(plugin) {
82
+ this.plugin = plugin;
83
+ }
84
+ Viewer.create = function (elementOrId, options) {
85
+ var _a;
86
+ if (options === void 0) { options = {}; }
87
+ return __awaiter(this, void 0, void 0, function () {
88
+ var o, defaultSpec, spec, element, plugin;
89
+ return __generator(this, function (_b) {
90
+ switch (_b.label) {
91
+ case 0:
92
+ o = __assign(__assign({}, DefaultViewerOptions), options);
93
+ defaultSpec = DefaultPluginUISpec();
94
+ spec = {
95
+ actions: defaultSpec.actions,
96
+ behaviors: __spreadArray(__spreadArray([], defaultSpec.behaviors, true), o.extensions.map(function (e) { return Extensions[e]; }), true),
97
+ animations: __spreadArray([], defaultSpec.animations || [], true),
98
+ customParamEditors: defaultSpec.customParamEditors,
99
+ customFormats: o === null || o === void 0 ? void 0 : o.customFormats,
100
+ layout: {
101
+ initial: {
102
+ isExpanded: o.layoutIsExpanded,
103
+ showControls: o.layoutShowControls,
104
+ controlsDisplay: o.layoutControlsDisplay,
105
+ regionState: {
106
+ bottom: 'full',
107
+ left: o.collapseLeftPanel ? 'collapsed' : 'full',
108
+ right: o.collapseRightPanel ? 'hidden' : 'full',
109
+ top: 'full',
110
+ }
111
+ },
112
+ },
113
+ 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' }),
114
+ config: [
115
+ [PluginConfig.General.DisableAntialiasing, o.disableAntialiasing],
116
+ [PluginConfig.General.PixelScale, o.pixelScale],
117
+ [PluginConfig.General.PickScale, o.pickScale],
118
+ [PluginConfig.General.PickPadding, o.pickPadding],
119
+ [PluginConfig.General.EnableWboit, o.enableWboit],
120
+ [PluginConfig.General.PreferWebGl1, o.preferWebgl1],
121
+ [PluginConfig.Viewport.ShowExpand, o.viewportShowExpand],
122
+ [PluginConfig.Viewport.ShowControls, o.viewportShowControls],
123
+ [PluginConfig.Viewport.ShowSettings, o.viewportShowSettings],
124
+ [PluginConfig.Viewport.ShowSelectionMode, o.viewportShowSelectionMode],
125
+ [PluginConfig.Viewport.ShowAnimation, o.viewportShowAnimation],
126
+ [PluginConfig.State.DefaultServer, o.pluginStateServer],
127
+ [PluginConfig.State.CurrentServer, o.pluginStateServer],
128
+ [PluginConfig.VolumeStreaming.DefaultServer, o.volumeStreamingServer],
129
+ [PluginConfig.VolumeStreaming.Enabled, !o.volumeStreamingDisabled],
130
+ [PluginConfig.Download.DefaultPdbProvider, o.pdbProvider],
131
+ [PluginConfig.Download.DefaultEmdbProvider, o.emdbProvider],
132
+ [PluginConfig.Structure.DefaultRepresentationPreset, ViewerAutoPreset.id],
133
+ ]
134
+ };
135
+ element = typeof elementOrId === 'string'
136
+ ? document.getElementById(elementOrId)
137
+ : elementOrId;
138
+ if (!element)
139
+ throw new Error("Could not get element with id '".concat(elementOrId, "'"));
140
+ return [4 /*yield*/, createPluginUI(element, spec, {
141
+ onBeforeUIRender: function (plugin) {
142
+ // the preset needs to be added before the UI renders otherwise
143
+ // "Download Structure" wont be able to pick it up
144
+ plugin.builders.structure.representation.registerPreset(ViewerAutoPreset);
145
+ }
146
+ })];
147
+ case 1:
148
+ plugin = _b.sent();
149
+ return [2 /*return*/, new Viewer(plugin)];
150
+ }
151
+ });
152
+ });
153
+ };
154
+ Viewer.prototype.setRemoteSnapshot = function (id) {
155
+ var url = "".concat(this.plugin.config.get(PluginConfig.State.CurrentServer), "/get/").concat(id);
156
+ return PluginCommands.State.Snapshots.Fetch(this.plugin, { url: url });
157
+ };
158
+ Viewer.prototype.loadSnapshotFromUrl = function (url, type) {
159
+ return PluginCommands.State.Snapshots.OpenUrl(this.plugin, { url: url, type: type });
160
+ };
161
+ Viewer.prototype.loadStructureFromUrl = function (url, format, isBinary, options) {
162
+ if (format === void 0) { format = 'mmcif'; }
163
+ if (isBinary === void 0) { isBinary = false; }
164
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
165
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
166
+ source: {
167
+ name: 'url',
168
+ params: {
169
+ url: Asset.Url(url),
170
+ format: format,
171
+ isBinary: isBinary,
172
+ options: __assign(__assign({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
173
+ }
174
+ }
175
+ }));
176
+ };
177
+ Viewer.prototype.loadAllModelsOrAssemblyFromUrl = function (url, format, isBinary, options) {
178
+ if (format === void 0) { format = 'mmcif'; }
179
+ if (isBinary === void 0) { isBinary = false; }
180
+ return __awaiter(this, void 0, void 0, function () {
181
+ var plugin, data, trajectory;
182
+ return __generator(this, function (_a) {
183
+ switch (_a.label) {
184
+ case 0:
185
+ plugin = this.plugin;
186
+ return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
187
+ case 1:
188
+ data = _a.sent();
189
+ return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, format)];
190
+ case 2:
191
+ trajectory = _a.sent();
192
+ return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'all-models', { useDefaultIfSingleModel: true, representationPresetParams: options === null || options === void 0 ? void 0 : options.representationParams })];
193
+ case 3:
194
+ _a.sent();
195
+ return [2 /*return*/];
196
+ }
197
+ });
198
+ });
199
+ };
200
+ Viewer.prototype.loadStructureFromData = function (data, format, options) {
201
+ return __awaiter(this, void 0, void 0, function () {
202
+ var _data, trajectory;
203
+ return __generator(this, function (_a) {
204
+ switch (_a.label) {
205
+ case 0: return [4 /*yield*/, this.plugin.builders.data.rawData({ data: data, label: options === null || options === void 0 ? void 0 : options.dataLabel })];
206
+ case 1:
207
+ _data = _a.sent();
208
+ return [4 /*yield*/, this.plugin.builders.structure.parseTrajectory(_data, format)];
209
+ case 2:
210
+ trajectory = _a.sent();
211
+ return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'default')];
212
+ case 3:
213
+ _a.sent();
214
+ return [2 /*return*/];
215
+ }
216
+ });
217
+ });
218
+ };
219
+ Viewer.prototype.loadPdb = function (pdb, options) {
220
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
221
+ var provider = this.plugin.config.get(PluginConfig.Download.DefaultPdbProvider);
222
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
223
+ source: {
224
+ name: 'pdb',
225
+ params: {
226
+ provider: {
227
+ id: pdb,
228
+ server: {
229
+ name: provider,
230
+ params: PdbDownloadProvider[provider].defaultValue
231
+ }
232
+ },
233
+ options: __assign(__assign({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
234
+ }
235
+ }
236
+ }));
237
+ };
238
+ Viewer.prototype.loadPdbDev = function (pdbDev) {
239
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
240
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
241
+ source: {
242
+ name: 'pdb-dev',
243
+ params: {
244
+ provider: {
245
+ id: pdbDev,
246
+ encoding: 'bcif',
247
+ },
248
+ options: params.source.params.options,
249
+ }
250
+ }
251
+ }));
252
+ };
253
+ Viewer.prototype.loadEmdb = function (emdb, options) {
254
+ var _a;
255
+ var provider = this.plugin.config.get(PluginConfig.Download.DefaultEmdbProvider);
256
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadDensity, {
257
+ source: {
258
+ name: 'pdb-emd-ds',
259
+ params: {
260
+ provider: {
261
+ id: emdb,
262
+ server: provider,
263
+ },
264
+ detail: (_a = options === null || options === void 0 ? void 0 : options.detail) !== null && _a !== void 0 ? _a : 3,
265
+ }
266
+ }
267
+ }));
268
+ };
269
+ Viewer.prototype.loadAlphaFoldDb = function (afdb) {
270
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
271
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
272
+ source: {
273
+ name: 'alphafolddb',
274
+ params: {
275
+ id: afdb,
276
+ options: __assign(__assign({}, params.source.params.options), { representation: 'preset-structure-representation-ma-quality-assessment-plddt' }),
277
+ }
278
+ }
279
+ }));
280
+ };
281
+ Viewer.prototype.loadModelArchive = function (id) {
282
+ var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
283
+ return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
284
+ source: {
285
+ name: 'modelarchive',
286
+ params: {
287
+ id: id,
288
+ options: params.source.params.options,
289
+ }
290
+ }
291
+ }));
292
+ };
293
+ /**
294
+ * @example Load X-ray density from volume server
295
+ viewer.loadVolumeFromUrl({
296
+ url: 'https://www.ebi.ac.uk/pdbe/densities/x-ray/1tqn/cell?detail=3',
297
+ format: 'dscif',
298
+ isBinary: true
299
+ }, [{
300
+ type: 'relative',
301
+ value: 1.5,
302
+ color: 0x3362B2
303
+ }, {
304
+ type: 'relative',
305
+ value: 3,
306
+ color: 0x33BB33,
307
+ volumeIndex: 1
308
+ }, {
309
+ type: 'relative',
310
+ value: -3,
311
+ color: 0xBB3333,
312
+ volumeIndex: 1
313
+ }], {
314
+ entryId: ['2FO-FC', 'FO-FC'],
315
+ isLazy: true
316
+ });
317
+ * *********************
318
+ * @example Load EM density from volume server
319
+ viewer.loadVolumeFromUrl({
320
+ url: 'https://maps.rcsb.org/em/emd-30210/cell?detail=6',
321
+ format: 'dscif',
322
+ isBinary: true
323
+ }, [{
324
+ type: 'relative',
325
+ value: 1,
326
+ color: 0x3377aa
327
+ }], {
328
+ entryId: 'EMD-30210',
329
+ isLazy: true
330
+ });
331
+ */
332
+ Viewer.prototype.loadVolumeFromUrl = function (_a, isovalues, options) {
333
+ var url = _a.url, format = _a.format, isBinary = _a.isBinary;
334
+ return __awaiter(this, void 0, void 0, function () {
335
+ var plugin, update;
336
+ var _this = this;
337
+ return __generator(this, function (_b) {
338
+ plugin = this.plugin;
339
+ if (!plugin.dataFormats.get(format)) {
340
+ throw new Error("Unknown density format: ".concat(format));
341
+ }
342
+ if (options === null || options === void 0 ? void 0 : options.isLazy) {
343
+ update = this.plugin.build();
344
+ update.toRoot().apply(StateTransforms.Data.LazyVolume, {
345
+ url: url,
346
+ format: format,
347
+ entryId: options === null || options === void 0 ? void 0 : options.entryId,
348
+ isBinary: isBinary,
349
+ isovalues: isovalues.map(function (v) { return (__assign({ alpha: 1, volumeIndex: 0 }, v)); })
350
+ });
351
+ return [2 /*return*/, update.commit()];
352
+ }
353
+ return [2 /*return*/, plugin.dataTransaction(function () { return __awaiter(_this, void 0, void 0, function () {
354
+ var data, parsed, firstVolume, repr, _i, isovalues_1, iso;
355
+ var _a, _b, _c, _d;
356
+ return __generator(this, function (_e) {
357
+ switch (_e.label) {
358
+ case 0: return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
359
+ case 1:
360
+ data = _e.sent();
361
+ return [4 /*yield*/, plugin.dataFormats.get(format).parse(plugin, data, { entryId: options === null || options === void 0 ? void 0 : options.entryId })];
362
+ case 2:
363
+ parsed = _e.sent();
364
+ firstVolume = (parsed.volume || parsed.volumes[0]);
365
+ if (!(firstVolume === null || firstVolume === void 0 ? void 0 : firstVolume.isOk))
366
+ throw new Error('Failed to parse any volume.');
367
+ repr = plugin.build();
368
+ for (_i = 0, isovalues_1 = isovalues; _i < isovalues_1.length; _i++) {
369
+ iso = isovalues_1[_i];
370
+ repr
371
+ .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)
372
+ .apply(StateTransforms.Representation.VolumeRepresentation3D, createVolumeRepresentationParams(this.plugin, firstVolume.data, {
373
+ type: 'isosurface',
374
+ 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 } },
375
+ color: 'uniform',
376
+ colorParams: { value: iso.color }
377
+ }));
378
+ }
379
+ return [4 /*yield*/, repr.commit()];
380
+ case 3:
381
+ _e.sent();
382
+ return [2 /*return*/];
383
+ }
384
+ });
385
+ }); })];
386
+ });
387
+ });
388
+ };
389
+ /**
390
+ * @example
391
+ * viewer.loadTrajectory({
392
+ * model: { kind: 'model-url', url: 'villin.gro', format: 'gro' },
393
+ * coordinates: { kind: 'coordinates-url', url: 'villin.xtc', format: 'xtc', isBinary: true },
394
+ * preset: 'all-models' // or 'default'
395
+ * });
396
+ */
397
+ Viewer.prototype.loadTrajectory = function (params) {
398
+ var _a, _b;
399
+ return __awaiter(this, void 0, void 0, function () {
400
+ var plugin, model, coords, data, _c, trajectory_1, data, _d, provider, data, _e, provider, trajectory, preset;
401
+ return __generator(this, function (_f) {
402
+ switch (_f.label) {
403
+ case 0:
404
+ plugin = this.plugin;
405
+ if (!(params.model.kind === 'model-data' || params.model.kind === 'model-url')) return [3 /*break*/, 7];
406
+ if (!(params.model.kind === 'model-data')) return [3 /*break*/, 2];
407
+ return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
408
+ case 1:
409
+ _c = _f.sent();
410
+ return [3 /*break*/, 4];
411
+ case 2: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
412
+ case 3:
413
+ _c = _f.sent();
414
+ _f.label = 4;
415
+ case 4:
416
+ data = _c;
417
+ return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, (_a = params.model.format) !== null && _a !== void 0 ? _a : 'mmcif')];
418
+ case 5:
419
+ trajectory_1 = _f.sent();
420
+ return [4 /*yield*/, plugin.builders.structure.createModel(trajectory_1)];
421
+ case 6:
422
+ model = _f.sent();
423
+ return [3 /*break*/, 13];
424
+ case 7:
425
+ if (!(params.model.kind === 'topology-data')) return [3 /*break*/, 9];
426
+ return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
427
+ case 8:
428
+ _d = _f.sent();
429
+ return [3 /*break*/, 11];
430
+ case 9: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
431
+ case 10:
432
+ _d = _f.sent();
433
+ _f.label = 11;
434
+ case 11:
435
+ data = _d;
436
+ provider = plugin.dataFormats.get(params.model.format);
437
+ return [4 /*yield*/, provider.parse(plugin, data)];
438
+ case 12:
439
+ model = _f.sent();
440
+ _f.label = 13;
441
+ case 13:
442
+ if (!(params.coordinates.kind === 'coordinates-data')) return [3 /*break*/, 15];
443
+ return [4 /*yield*/, plugin.builders.data.rawData({ data: params.coordinates.data, label: params.coordinatesLabel })];
444
+ case 14:
445
+ _e = _f.sent();
446
+ return [3 /*break*/, 17];
447
+ case 15: return [4 /*yield*/, plugin.builders.data.download({ url: params.coordinates.url, isBinary: params.coordinates.isBinary, label: params.coordinatesLabel })];
448
+ case 16:
449
+ _e = _f.sent();
450
+ _f.label = 17;
451
+ case 17:
452
+ data = _e;
453
+ provider = plugin.dataFormats.get(params.coordinates.format);
454
+ return [4 /*yield*/, provider.parse(plugin, data)];
455
+ case 18:
456
+ coords = _f.sent();
457
+ return [4 /*yield*/, plugin.build().toRoot()
458
+ .apply(TrajectoryFromModelAndCoordinates, {
459
+ modelRef: model.ref,
460
+ coordinatesRef: coords.ref
461
+ }, { dependsOn: [model.ref, coords.ref] })
462
+ .commit()];
463
+ case 19:
464
+ trajectory = _f.sent();
465
+ return [4 /*yield*/, plugin.builders.structure.hierarchy.applyPreset(trajectory, (_b = params.preset) !== null && _b !== void 0 ? _b : 'default')];
466
+ case 20:
467
+ preset = _f.sent();
468
+ return [2 /*return*/, { model: model, coords: coords, preset: preset }];
469
+ }
470
+ });
471
+ });
472
+ };
473
+ Viewer.prototype.handleResize = function () {
474
+ this.plugin.layout.events.updated.next(void 0);
475
+ };
476
+ return Viewer;
477
+ }());
478
+ export { Viewer };
479
+ export var ViewerAutoPreset = StructureRepresentationPresetProvider({
480
+ id: 'preset-structure-representation-viewer-auto',
481
+ display: {
482
+ name: 'Automatic (w/ Annotation)', group: 'Annotation',
483
+ description: 'Show standard automatic representation but colored by quality assessment (if available in the model).'
484
+ },
485
+ isApplicable: function (a) {
486
+ return (!!a.data.models.some(function (m) { return QualityAssessment.isApplicable(m, 'pLDDT'); }) ||
487
+ !!a.data.models.some(function (m) { return QualityAssessment.isApplicable(m, 'qmean'); }));
488
+ },
489
+ params: function () { return StructureRepresentationPresetProvider.CommonParams; },
490
+ apply: function (ref, params, plugin) {
491
+ var _a;
492
+ return __awaiter(this, void 0, void 0, function () {
493
+ var structureCell, structure;
494
+ return __generator(this, function (_b) {
495
+ switch (_b.label) {
496
+ case 0:
497
+ structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
498
+ structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
499
+ if (!structureCell || !structure)
500
+ return [2 /*return*/, {}];
501
+ if (!!!structure.models.some(function (m) { return QualityAssessment.isApplicable(m, 'pLDDT'); })) return [3 /*break*/, 2];
502
+ return [4 /*yield*/, QualityAssessmentPLDDTPreset.apply(ref, params, plugin)];
503
+ case 1: return [2 /*return*/, _b.sent()];
504
+ case 2:
505
+ if (!!!structure.models.some(function (m) { return QualityAssessment.isApplicable(m, 'qmean'); })) return [3 /*break*/, 4];
506
+ return [4 /*yield*/, QualityAssessmentQmeanPreset.apply(ref, params, plugin)];
507
+ case 3: return [2 /*return*/, _b.sent()];
508
+ case 4: return [4 /*yield*/, PresetStructureRepresentations.auto.apply(ref, params, plugin)];
509
+ case 5: return [2 /*return*/, _b.sent()];
510
+ }
511
+ });
512
+ });
513
+ }
514
+ });
515
+ //# sourceMappingURL=app.js.map
@@ -20,7 +20,7 @@
20
20
  <div id="app"></div>
21
21
  <script type="text/javascript" src="./molstar.js"></script>
22
22
  <script type="text/javascript">
23
- var viewer = new molstar.Viewer('app', {
23
+ molstar.Viewer.create('app', {
24
24
  layoutIsExpanded: true,
25
25
  layoutShowControls: false,
26
26
  layoutShowRemoteState: false,
@@ -34,11 +34,11 @@
34
34
 
35
35
  pdbProvider: 'rcsb',
36
36
  emdbProvider: 'rcsb',
37
+ }).then(viewer => {
38
+ viewer.loadPdb('7bv2');
39
+ viewer.loadEmdb('EMD-30210', { detail: 6 });
40
+ // viewer.loadAllModelsOrAssemblyFromUrl('https://cs.litemol.org/5ire/full', 'mmcif', false, { representationParams: { theme: { globalName: 'operator-name' } } })
37
41
  });
38
- viewer.loadPdb('7bv2');
39
- viewer.loadEmdb('EMD-30210', { detail: 6 });
40
-
41
- // viewer.loadAllModelsOrAssemblyFromUrl('https://cs.litemol.org/5ire/full', 'mmcif', false, { representationParams: { theme: { globalName: 'operator-name' } } })
42
42
  </script>
43
43
  </body>
44
44
  </html>