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
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  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
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  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
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  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
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  610. package/lib/mol-plugin-state/manager/animation.d.ts +5 -1
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  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
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  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
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  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
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  714. package/lib/mol-theme/color/molecule-type.d.ts +19 -1
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  724. package/lib/mol-util/clip.d.ts +49 -0
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  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
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  /**
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- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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  *
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- var cellpack_1 = require("../../extensions/cellpack");
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- var dnatco_1 = require("../../extensions/dnatco");
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- var format_1 = require("../../extensions/g3d/format");
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- var geo_export_1 = require("../../extensions/geo-export");
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- var behavior_2 = require("../../extensions/model-archive/quality-assessment/behavior");
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- var prop_1 = require("../../extensions/model-archive/quality-assessment/prop");
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- var mp4_export_1 = require("../../extensions/mp4-export");
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- var pdbe_1 = require("../../extensions/pdbe");
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- var rcsb_1 = require("../../extensions/rcsb");
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- var structure_1 = require("../../mol-plugin-state/actions/structure");
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- var volume_1 = require("../../mol-plugin-state/actions/volume");
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- var representation_preset_1 = require("../../mol-plugin-state/builder/structure/representation-preset");
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- var volume_representation_params_1 = require("../../mol-plugin-state/helpers/volume-representation-params");
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- var transforms_1 = require("../../mol-plugin-state/transforms");
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- var model_1 = require("../../mol-plugin-state/transforms/model");
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- var mol_plugin_ui_1 = require("../../mol-plugin-ui");
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- 'pdbe-structure-quality-report': spec_2.PluginSpec.Behavior(pdbe_1.PDBeStructureQualityReport),
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- [config_1.PluginConfig.Viewport.ShowAnimation, o.viewportShowAnimation],
134
- [config_1.PluginConfig.State.DefaultServer, o.pluginStateServer],
135
- [config_1.PluginConfig.State.CurrentServer, o.pluginStateServer],
136
- [config_1.PluginConfig.VolumeStreaming.DefaultServer, o.volumeStreamingServer],
137
- [config_1.PluginConfig.VolumeStreaming.Enabled, !o.volumeStreamingDisabled],
138
- [config_1.PluginConfig.Download.DefaultPdbProvider, o.pdbProvider],
139
- [config_1.PluginConfig.Download.DefaultEmdbProvider, o.emdbProvider],
140
- [config_1.PluginConfig.Structure.DefaultRepresentationPreset, exports.ViewerAutoPreset.id],
141
- ]
142
- };
143
- element = typeof elementOrId === 'string'
144
- ? document.getElementById(elementOrId)
145
- : elementOrId;
146
- if (!element)
147
- throw new Error("Could not get element with id '".concat(elementOrId, "'"));
148
- return [4 /*yield*/, (0, mol_plugin_ui_1.createPluginUI)(element, spec, {
149
- onBeforeUIRender: function (plugin) {
150
- // the preset needs to be added before the UI renders otherwise
151
- // "Download Structure" wont be able to pick it up
152
- plugin.builders.structure.representation.registerPreset(exports.ViewerAutoPreset);
153
- }
154
- })];
155
- case 1:
156
- plugin = _b.sent();
157
- return [2 /*return*/, new Viewer(plugin)];
158
- }
159
- });
160
- });
161
- };
162
- Viewer.prototype.setRemoteSnapshot = function (id) {
163
- var url = "".concat(this.plugin.config.get(config_1.PluginConfig.State.CurrentServer), "/get/").concat(id);
164
- return commands_1.PluginCommands.State.Snapshots.Fetch(this.plugin, { url: url });
165
- };
166
- Viewer.prototype.loadSnapshotFromUrl = function (url, type) {
167
- return commands_1.PluginCommands.State.Snapshots.OpenUrl(this.plugin, { url: url, type: type });
168
- };
169
- Viewer.prototype.loadStructureFromUrl = function (url, format, isBinary, options) {
170
- if (format === void 0) { format = 'mmcif'; }
171
- if (isBinary === void 0) { isBinary = false; }
172
- var params = structure_1.DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
173
- return this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.DownloadStructure, {
174
- source: {
175
- name: 'url',
176
- params: {
177
- url: assets_1.Asset.Url(url),
178
- format: format,
179
- isBinary: isBinary,
180
- options: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
181
- }
182
- }
183
- }));
184
- };
185
- Viewer.prototype.loadAllModelsOrAssemblyFromUrl = function (url, format, isBinary, options) {
186
- if (format === void 0) { format = 'mmcif'; }
187
- if (isBinary === void 0) { isBinary = false; }
188
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
189
- var plugin, data, trajectory;
190
- return (0, tslib_1.__generator)(this, function (_a) {
191
- switch (_a.label) {
192
- case 0:
193
- plugin = this.plugin;
194
- return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
195
- case 1:
196
- data = _a.sent();
197
- return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, format)];
198
- case 2:
199
- trajectory = _a.sent();
200
- return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'all-models', { useDefaultIfSingleModel: true, representationPresetParams: options === null || options === void 0 ? void 0 : options.representationParams })];
201
- case 3:
202
- _a.sent();
203
- return [2 /*return*/];
204
- }
205
- });
206
- });
207
- };
208
- Viewer.prototype.loadStructureFromData = function (data, format, options) {
209
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
210
- var _data, trajectory;
211
- return (0, tslib_1.__generator)(this, function (_a) {
212
- switch (_a.label) {
213
- case 0: return [4 /*yield*/, this.plugin.builders.data.rawData({ data: data, label: options === null || options === void 0 ? void 0 : options.dataLabel })];
214
- case 1:
215
- _data = _a.sent();
216
- return [4 /*yield*/, this.plugin.builders.structure.parseTrajectory(_data, format)];
217
- case 2:
218
- trajectory = _a.sent();
219
- return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'default')];
220
- case 3:
221
- _a.sent();
222
- return [2 /*return*/];
223
- }
224
- });
225
- });
226
- };
227
- Viewer.prototype.loadPdb = function (pdb, options) {
228
- var params = structure_1.DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
229
- var provider = this.plugin.config.get(config_1.PluginConfig.Download.DefaultPdbProvider);
230
- return this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.DownloadStructure, {
231
- source: {
232
- name: 'pdb',
233
- params: {
234
- provider: {
235
- id: pdb,
236
- server: {
237
- name: provider,
238
- params: structure_1.PdbDownloadProvider[provider].defaultValue
239
- }
240
- },
241
- options: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
242
- }
243
- }
244
- }));
245
- };
246
- Viewer.prototype.loadPdbDev = function (pdbDev) {
247
- var params = structure_1.DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
248
- return this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.DownloadStructure, {
249
- source: {
250
- name: 'pdb-dev',
251
- params: {
252
- provider: {
253
- id: pdbDev,
254
- encoding: 'bcif',
255
- },
256
- options: params.source.params.options,
257
- }
258
- }
259
- }));
260
- };
261
- Viewer.prototype.loadEmdb = function (emdb, options) {
262
- var _a;
263
- var provider = this.plugin.config.get(config_1.PluginConfig.Download.DefaultEmdbProvider);
264
- return this.plugin.runTask(this.plugin.state.data.applyAction(volume_1.DownloadDensity, {
265
- source: {
266
- name: 'pdb-emd-ds',
267
- params: {
268
- provider: {
269
- id: emdb,
270
- server: provider,
271
- },
272
- detail: (_a = options === null || options === void 0 ? void 0 : options.detail) !== null && _a !== void 0 ? _a : 3,
273
- }
274
- }
275
- }));
276
- };
277
- Viewer.prototype.loadAlphaFoldDb = function (afdb) {
278
- var params = structure_1.DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
279
- return this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.DownloadStructure, {
280
- source: {
281
- name: 'alphafolddb',
282
- params: {
283
- id: afdb,
284
- options: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.source.params.options), { representation: 'preset-structure-representation-ma-quality-assessment-plddt' }),
285
- }
286
- }
287
- }));
288
- };
289
- Viewer.prototype.loadModelArchive = function (id) {
290
- var params = structure_1.DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
291
- return this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.DownloadStructure, {
292
- source: {
293
- name: 'modelarchive',
294
- params: {
295
- id: id,
296
- options: params.source.params.options,
297
- }
298
- }
299
- }));
300
- };
301
- /**
302
- * @example Load X-ray density from volume server
303
- viewer.loadVolumeFromUrl({
304
- url: 'https://www.ebi.ac.uk/pdbe/densities/x-ray/1tqn/cell?detail=3',
305
- format: 'dscif',
306
- isBinary: true
307
- }, [{
308
- type: 'relative',
309
- value: 1.5,
310
- color: 0x3362B2
311
- }, {
312
- type: 'relative',
313
- value: 3,
314
- color: 0x33BB33,
315
- volumeIndex: 1
316
- }, {
317
- type: 'relative',
318
- value: -3,
319
- color: 0xBB3333,
320
- volumeIndex: 1
321
- }], {
322
- entryId: ['2FO-FC', 'FO-FC'],
323
- isLazy: true
324
- });
325
- * *********************
326
- * @example Load EM density from volume server
327
- viewer.loadVolumeFromUrl({
328
- url: 'https://maps.rcsb.org/em/emd-30210/cell?detail=6',
329
- format: 'dscif',
330
- isBinary: true
331
- }, [{
332
- type: 'relative',
333
- value: 1,
334
- color: 0x3377aa
335
- }], {
336
- entryId: 'EMD-30210',
337
- isLazy: true
338
- });
339
- */
340
- Viewer.prototype.loadVolumeFromUrl = function (_a, isovalues, options) {
341
- var url = _a.url, format = _a.format, isBinary = _a.isBinary;
342
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
343
- var plugin, update;
344
- var _this = this;
345
- return (0, tslib_1.__generator)(this, function (_b) {
346
- plugin = this.plugin;
347
- if (!plugin.dataFormats.get(format)) {
348
- throw new Error("Unknown density format: ".concat(format));
349
- }
350
- if (options === null || options === void 0 ? void 0 : options.isLazy) {
351
- update = this.plugin.build();
352
- update.toRoot().apply(transforms_1.StateTransforms.Data.LazyVolume, {
353
- url: url,
354
- format: format,
355
- entryId: options === null || options === void 0 ? void 0 : options.entryId,
356
- isBinary: isBinary,
357
- isovalues: isovalues.map(function (v) { return ((0, tslib_1.__assign)({ alpha: 1, volumeIndex: 0 }, v)); })
358
- });
359
- return [2 /*return*/, update.commit()];
360
- }
361
- return [2 /*return*/, plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
362
- var data, parsed, firstVolume, repr, _i, isovalues_1, iso;
363
- var _a, _b, _c, _d;
364
- return (0, tslib_1.__generator)(this, function (_e) {
365
- switch (_e.label) {
366
- case 0: return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
367
- case 1:
368
- data = _e.sent();
369
- return [4 /*yield*/, plugin.dataFormats.get(format).parse(plugin, data, { entryId: options === null || options === void 0 ? void 0 : options.entryId })];
370
- case 2:
371
- parsed = _e.sent();
372
- firstVolume = (parsed.volume || parsed.volumes[0]);
373
- if (!(firstVolume === null || firstVolume === void 0 ? void 0 : firstVolume.isOk))
374
- throw new Error('Failed to parse any volume.');
375
- repr = plugin.build();
376
- for (_i = 0, isovalues_1 = isovalues; _i < isovalues_1.length; _i++) {
377
- iso = isovalues_1[_i];
378
- repr
379
- .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)
380
- .apply(transforms_1.StateTransforms.Representation.VolumeRepresentation3D, (0, volume_representation_params_1.createVolumeRepresentationParams)(this.plugin, firstVolume.data, {
381
- type: 'isosurface',
382
- 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 } },
383
- color: 'uniform',
384
- colorParams: { value: iso.color }
385
- }));
386
- }
387
- return [4 /*yield*/, repr.commit()];
388
- case 3:
389
- _e.sent();
390
- return [2 /*return*/];
391
- }
392
- });
393
- }); })];
394
- });
395
- });
396
- };
397
- /**
398
- * @example
399
- * viewer.loadTrajectory({
400
- * model: { kind: 'model-url', url: 'villin.gro', format: 'gro' },
401
- * coordinates: { kind: 'coordinates-url', url: 'villin.xtc', format: 'xtc', isBinary: true },
402
- * preset: 'all-models' // or 'default'
403
- * });
404
- */
405
- Viewer.prototype.loadTrajectory = function (params) {
406
- var _a, _b;
407
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
408
- var plugin, model, coords, data, _c, trajectory_1, data, _d, provider, data, _e, provider, trajectory, preset;
409
- return (0, tslib_1.__generator)(this, function (_f) {
410
- switch (_f.label) {
411
- case 0:
412
- plugin = this.plugin;
413
- if (!(params.model.kind === 'model-data' || params.model.kind === 'model-url')) return [3 /*break*/, 7];
414
- if (!(params.model.kind === 'model-data')) return [3 /*break*/, 2];
415
- return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
416
- case 1:
417
- _c = _f.sent();
418
- return [3 /*break*/, 4];
419
- case 2: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
420
- case 3:
421
- _c = _f.sent();
422
- _f.label = 4;
423
- case 4:
424
- data = _c;
425
- return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, (_a = params.model.format) !== null && _a !== void 0 ? _a : 'mmcif')];
426
- case 5:
427
- trajectory_1 = _f.sent();
428
- return [4 /*yield*/, plugin.builders.structure.createModel(trajectory_1)];
429
- case 6:
430
- model = _f.sent();
431
- return [3 /*break*/, 13];
432
- case 7:
433
- if (!(params.model.kind === 'topology-data')) return [3 /*break*/, 9];
434
- return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
435
- case 8:
436
- _d = _f.sent();
437
- return [3 /*break*/, 11];
438
- case 9: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
439
- case 10:
440
- _d = _f.sent();
441
- _f.label = 11;
442
- case 11:
443
- data = _d;
444
- provider = plugin.dataFormats.get(params.model.format);
445
- return [4 /*yield*/, provider.parse(plugin, data)];
446
- case 12:
447
- model = _f.sent();
448
- _f.label = 13;
449
- case 13:
450
- if (!(params.coordinates.kind === 'coordinates-data')) return [3 /*break*/, 15];
451
- return [4 /*yield*/, plugin.builders.data.rawData({ data: params.coordinates.data, label: params.coordinatesLabel })];
452
- case 14:
453
- _e = _f.sent();
454
- return [3 /*break*/, 17];
455
- case 15: return [4 /*yield*/, plugin.builders.data.download({ url: params.coordinates.url, isBinary: params.coordinates.isBinary, label: params.coordinatesLabel })];
456
- case 16:
457
- _e = _f.sent();
458
- _f.label = 17;
459
- case 17:
460
- data = _e;
461
- provider = plugin.dataFormats.get(params.coordinates.format);
462
- return [4 /*yield*/, provider.parse(plugin, data)];
463
- case 18:
464
- coords = _f.sent();
465
- return [4 /*yield*/, plugin.build().toRoot()
466
- .apply(model_1.TrajectoryFromModelAndCoordinates, {
467
- modelRef: model.ref,
468
- coordinatesRef: coords.ref
469
- }, { dependsOn: [model.ref, coords.ref] })
470
- .commit()];
471
- case 19:
472
- trajectory = _f.sent();
473
- return [4 /*yield*/, plugin.builders.structure.hierarchy.applyPreset(trajectory, (_b = params.preset) !== null && _b !== void 0 ? _b : 'default')];
474
- case 20:
475
- preset = _f.sent();
476
- return [2 /*return*/, { model: model, coords: coords, preset: preset }];
477
- }
478
- });
479
- });
480
- };
481
- Viewer.prototype.handleResize = function () {
482
- this.plugin.layout.events.updated.next(void 0);
483
- };
484
- return Viewer;
485
- }());
486
- exports.Viewer = Viewer;
487
- exports.ViewerAutoPreset = (0, representation_preset_1.StructureRepresentationPresetProvider)({
488
- id: 'preset-structure-representation-viewer-auto',
489
- display: {
490
- name: 'Automatic (w/ Annotation)', group: 'Annotation',
491
- description: 'Show standard automatic representation but colored by quality assessment (if available in the model).'
492
- },
493
- isApplicable: function (a) {
494
- return (!!a.data.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'pLDDT'); }) ||
495
- !!a.data.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'qmean'); }));
496
- },
497
- params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
498
- apply: function (ref, params, plugin) {
499
- var _a;
500
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
501
- var structureCell, structure;
502
- return (0, tslib_1.__generator)(this, function (_b) {
503
- switch (_b.label) {
504
- case 0:
505
- structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
506
- structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
507
- if (!structureCell || !structure)
508
- return [2 /*return*/, {}];
509
- if (!!!structure.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'pLDDT'); })) return [3 /*break*/, 2];
510
- return [4 /*yield*/, behavior_3.QualityAssessmentPLDDTPreset.apply(ref, params, plugin)];
511
- case 1: return [2 /*return*/, _b.sent()];
512
- case 2:
513
- if (!!!structure.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'qmean'); })) return [3 /*break*/, 4];
514
- return [4 /*yield*/, behavior_3.QualityAssessmentQmeanPreset.apply(ref, params, plugin)];
515
- case 3: return [2 /*return*/, _b.sent()];
516
- case 4: return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, params, plugin)];
517
- case 5: return [2 /*return*/, _b.sent()];
518
- }
519
- });
520
- });
521
- }
522
- });
14
+ (0, tslib_1.__exportStar)(require("./app"), exports);
523
15
  //# sourceMappingURL=index.js.map
@@ -24,7 +24,7 @@ require('mol-plugin-ui/skin/light.scss');
24
24
  var AlphaOrbitalsExample = /** @class */ (function () {
25
25
  function AlphaOrbitalsExample() {
26
26
  this.params = new rxjs_1.BehaviorSubject({});
27
- this.state = new rxjs_1.BehaviorSubject({ show: { name: 'orbital', params: { index: 32 } }, isoValue: 1, gpuSurface: false });
27
+ this.state = new rxjs_1.BehaviorSubject({ show: { name: 'orbital', params: { index: 32 } }, isoValue: 1, gpuSurface: true });
28
28
  this.selectors = void 0;
29
29
  this.basis = void 0;
30
30
  this.currentParams = (0, tslib_1.__assign)({}, this.state.value);
@@ -244,13 +244,17 @@ var BasicWrapper = /** @class */ (function () {
244
244
  BasicWrapper.prototype.toggleSpin = function () {
245
245
  if (!this.plugin.canvas3d)
246
246
  return;
247
+ var trackball = this.plugin.canvas3d.props.trackball;
247
248
  commands_1.PluginCommands.Canvas3D.SetSettings(this.plugin, {
248
- settings: function (props) {
249
- props.trackball.spin = !props.trackball.spin;
249
+ settings: {
250
+ trackball: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, trackball), { animate: trackball.animate.name === 'spin'
251
+ ? { name: 'off', params: {} }
252
+ : { name: 'spin', params: { speed: 1 } } })
250
253
  }
251
254
  });
252
- if (!this.plugin.canvas3d.props.trackball.spin)
255
+ if (this.plugin.canvas3d.props.trackball.animate.name !== 'spin') {
253
256
  commands_1.PluginCommands.Camera.Reset(this.plugin, {});
257
+ }
254
258
  };
255
259
  BasicWrapper.prototype.animateModelIndexTargetFps = function () {
256
260
  return Math.max(1, this.animate.modelIndex.targetFps | 0);
@@ -479,7 +479,13 @@ var MolStarProteopediaWrapper = /** @class */ (function () {
479
479
  if (!this.plugin.canvas3d)
480
480
  return;
481
481
  var trackball = this.plugin.canvas3d.props.trackball;
482
- commands_1.PluginCommands.Canvas3D.SetSettings(this.plugin, { settings: { trackball: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, trackball), { spin: !trackball.spin }) } });
482
+ commands_1.PluginCommands.Canvas3D.SetSettings(this.plugin, {
483
+ settings: {
484
+ trackball: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, trackball), { animate: trackball.animate.name === 'spin'
485
+ ? { name: 'off', params: {} }
486
+ : { name: 'spin', params: { speed: 1 } } })
487
+ }
488
+ });
483
489
  };
484
490
  MolStarProteopediaWrapper.prototype.animateModelIndexTargetFps = function () {
485
491
  return Math.max(1, this.animate.modelIndex.targetFps | 0);
@@ -32,6 +32,10 @@ declare const MembraneOrientation3D: StateTransformer<PluginStateObject.Molecule
32
32
  roughness: number;
33
33
  bumpiness: number;
34
34
  }>;
35
+ clip: PD.Normalize<{
36
+ variant: any;
37
+ objects: any;
38
+ }>;
35
39
  sectorOpacity: number;
36
40
  doubleSided: boolean;
37
41
  flipSided: boolean;