molstar 4.3.0 → 4.4.0

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 (1384) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +197 -197
  3. package/build/viewer/embedded.html +52 -52
  4. package/build/viewer/index.html +129 -129
  5. package/build/viewer/molstar.css +1 -1
  6. package/build/viewer/molstar.js +1 -1
  7. package/build/viewer/molstar.js.LICENSE.txt +0 -9
  8. package/lib/apps/docking-viewer/index.html +36 -36
  9. package/lib/apps/docking-viewer/viewport.d.ts +1 -1
  10. package/lib/apps/docking-viewer/viewport.js +2 -1
  11. package/lib/apps/mesoscale-explorer/app.d.ts +3 -1
  12. package/lib/apps/mesoscale-explorer/app.js +12 -1
  13. package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
  14. package/lib/apps/mesoscale-explorer/behavior/camera.js +32 -6
  15. package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
  16. package/lib/apps/mesoscale-explorer/behavior/select.js +58 -9
  17. package/lib/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
  18. package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +8 -5
  19. package/lib/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
  20. package/lib/apps/mesoscale-explorer/data/generic/model.js +2 -1
  21. package/lib/apps/mesoscale-explorer/data/generic/preset.js +7 -6
  22. package/lib/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
  23. package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +6 -3
  24. package/lib/apps/mesoscale-explorer/data/petworld/model.js +3 -1
  25. package/lib/apps/mesoscale-explorer/data/petworld/preset.js +6 -3
  26. package/lib/apps/mesoscale-explorer/data/state.d.ts +48 -10
  27. package/lib/apps/mesoscale-explorer/data/state.js +83 -8
  28. package/lib/apps/mesoscale-explorer/index.html +106 -101
  29. package/lib/apps/mesoscale-explorer/style.scss +66 -33
  30. package/lib/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
  31. package/lib/apps/mesoscale-explorer/ui/entities.js +301 -32
  32. package/lib/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
  33. package/lib/apps/mesoscale-explorer/ui/panels.js +42 -5
  34. package/lib/apps/mesoscale-explorer/ui/states.d.ts +60 -2
  35. package/lib/apps/mesoscale-explorer/ui/states.js +471 -11
  36. package/lib/apps/viewer/app.d.ts +10 -4
  37. package/lib/apps/viewer/app.js +28 -0
  38. package/lib/apps/viewer/embedded.html +52 -52
  39. package/lib/apps/viewer/index.html +129 -129
  40. package/lib/cli/chem-comp-dict/create-ions.js +9 -9
  41. package/lib/cli/chem-comp-dict/create-saccharides.js +9 -9
  42. package/lib/cli/cifschema/util/generate.js +12 -12
  43. package/lib/cli/lipid-params/index.js +9 -9
  44. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +1 -1
  45. package/lib/commonjs/apps/docking-viewer/viewport.js +2 -1
  46. package/lib/commonjs/apps/mesoscale-explorer/app.d.ts +3 -1
  47. package/lib/commonjs/apps/mesoscale-explorer/app.js +12 -1
  48. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
  49. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.js +34 -8
  50. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
  51. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.js +58 -9
  52. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
  53. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +8 -6
  54. package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
  55. package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.js +2 -1
  56. package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +9 -9
  57. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
  58. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +6 -4
  59. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/model.js +3 -1
  60. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +6 -4
  61. package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +48 -10
  62. package/lib/commonjs/apps/mesoscale-explorer/data/state.js +107 -28
  63. package/lib/commonjs/apps/mesoscale-explorer/data/util.js +2 -3
  64. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
  65. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +302 -30
  66. package/lib/commonjs/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
  67. package/lib/commonjs/apps/mesoscale-explorer/ui/panels.js +39 -2
  68. package/lib/commonjs/apps/mesoscale-explorer/ui/states.d.ts +60 -2
  69. package/lib/commonjs/apps/mesoscale-explorer/ui/states.js +477 -13
  70. package/lib/commonjs/apps/viewer/app.d.ts +10 -4
  71. package/lib/commonjs/apps/viewer/app.js +28 -0
  72. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +9 -9
  73. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +9 -9
  74. package/lib/commonjs/cli/chem-comp-dict/util.js +7 -7
  75. package/lib/commonjs/cli/cif2bcif/converter.js +1 -2
  76. package/lib/commonjs/cli/cifschema/util/cif-dic.js +2 -3
  77. package/lib/commonjs/cli/cifschema/util/generate.js +13 -14
  78. package/lib/commonjs/cli/cifschema/util/helper.js +1 -2
  79. package/lib/commonjs/cli/cifschema/util/schema.js +9 -10
  80. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  81. package/lib/commonjs/cli/state-docs/pd-to-md.js +1 -2
  82. package/lib/commonjs/cli/structure-info/helpers.js +2 -3
  83. package/lib/commonjs/cli/structure-info/model.js +11 -12
  84. package/lib/commonjs/examples/alpha-orbitals/controls.js +1 -2
  85. package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
  86. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +2 -2
  87. package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
  88. package/lib/commonjs/examples/domain-annotation-server/mapping.js +1 -2
  89. package/lib/commonjs/examples/lighting/index.d.ts +1 -1
  90. package/lib/commonjs/examples/lighting/index.js +2 -1
  91. package/lib/commonjs/examples/proteopedia-wrapper/coloring.d.ts +5 -20
  92. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +1 -2
  93. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +1 -2
  94. package/lib/commonjs/examples/task.js +6 -6
  95. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +1 -2
  96. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +4 -5
  97. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
  98. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
  99. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
  100. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
  101. package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +2 -2
  102. package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +3 -3
  103. package/lib/commonjs/extensions/anvil/algorithm.js +5 -5
  104. package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
  105. package/lib/commonjs/extensions/anvil/behavior.js +2 -2
  106. package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
  107. package/lib/commonjs/extensions/anvil/representation.js +3 -3
  108. package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +1 -0
  109. package/lib/commonjs/extensions/assembly-symmetry/behavior.js +3 -3
  110. package/lib/commonjs/extensions/assembly-symmetry/color.d.ts +2 -2
  111. package/lib/commonjs/extensions/assembly-symmetry/color.js +3 -3
  112. package/lib/commonjs/extensions/assembly-symmetry/prop.js +27 -27
  113. package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
  114. package/lib/commonjs/extensions/assembly-symmetry/representation.js +2 -2
  115. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  116. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +3 -3
  117. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  118. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +3 -3
  119. package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +7 -7
  120. package/lib/commonjs/extensions/dnatco/ntc-tube/color.js +3 -3
  121. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
  122. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.js +3 -3
  123. package/lib/commonjs/extensions/g3d/data.js +2 -3
  124. package/lib/commonjs/extensions/g3d/format.d.ts +3 -3
  125. package/lib/commonjs/extensions/g3d/model.js +5 -5
  126. package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +2 -2
  127. package/lib/commonjs/extensions/geo-export/ui.d.ts +0 -1
  128. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
  129. package/lib/commonjs/extensions/meshes/examples.js +9 -9
  130. package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +3 -6
  131. package/lib/commonjs/extensions/meshes/mesh-extension.js +2 -2
  132. package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +3 -3
  133. package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +3 -3
  134. package/lib/commonjs/extensions/meshes/mesh-utils.js +9 -9
  135. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +1 -1
  136. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +11 -8
  137. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +3 -3
  138. package/lib/commonjs/extensions/model-export/export.js +2 -2
  139. package/lib/commonjs/extensions/model-export/ui.d.ts +0 -1
  140. package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -1
  141. package/lib/commonjs/extensions/mp4-export/encoder.js +1 -2
  142. package/lib/commonjs/extensions/mp4-export/ui.d.ts +0 -1
  143. package/lib/commonjs/extensions/mvs/camera.js +4 -5
  144. package/lib/commonjs/extensions/mvs/components/annotation-color-theme.js +2 -2
  145. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +32 -32
  146. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.js +2 -2
  147. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +16 -16
  148. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.js +2 -2
  149. package/lib/commonjs/extensions/mvs/components/annotation-prop.js +2 -2
  150. package/lib/commonjs/extensions/mvs/components/annotation-structure-component.js +4 -4
  151. package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +32 -32
  152. package/lib/commonjs/extensions/mvs/components/custom-label/representation.js +2 -2
  153. package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +16 -16
  154. package/lib/commonjs/extensions/mvs/components/custom-label/visual.js +2 -2
  155. package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -6
  156. package/lib/commonjs/extensions/mvs/components/formats.js +2 -2
  157. package/lib/commonjs/extensions/mvs/components/is-mvs-model-prop.js +3 -3
  158. package/lib/commonjs/extensions/mvs/components/multilayer-color-theme.js +3 -3
  159. package/lib/commonjs/extensions/mvs/components/selector.js +3 -3
  160. package/lib/commonjs/extensions/mvs/helpers/indexing.d.ts +2 -2
  161. package/lib/commonjs/extensions/mvs/helpers/label-text.js +1 -2
  162. package/lib/commonjs/extensions/mvs/helpers/param-definition.js +2 -3
  163. package/lib/commonjs/extensions/mvs/helpers/schemas.d.ts +1 -1
  164. package/lib/commonjs/extensions/mvs/helpers/schemas.js +2 -2
  165. package/lib/commonjs/extensions/mvs/helpers/selections.js +6 -7
  166. package/lib/commonjs/extensions/mvs/helpers/utils.d.ts +1 -1
  167. package/lib/commonjs/extensions/mvs/helpers/utils.js +7 -7
  168. package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
  169. package/lib/commonjs/extensions/mvs/load-helpers.js +17 -17
  170. package/lib/commonjs/extensions/mvs/load.js +1 -2
  171. package/lib/commonjs/extensions/mvs/tree/generic/params-schema.js +8 -8
  172. package/lib/commonjs/extensions/mvs/tree/generic/tree-schema.js +8 -9
  173. package/lib/commonjs/extensions/mvs/tree/generic/tree-utils.js +10 -11
  174. package/lib/commonjs/extensions/mvs/tree/molstar/conversion.js +4 -4
  175. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +0 -8
  176. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.js +3 -3
  177. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +2 -2
  178. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +2 -2
  179. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +3 -3
  180. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +2 -2
  181. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  182. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +5 -5
  183. package/lib/commonjs/extensions/sb-ncbr/partial-charges/color.js +3 -3
  184. package/lib/commonjs/extensions/sb-ncbr/partial-charges/labels.js +1 -2
  185. package/lib/commonjs/extensions/sb-ncbr/partial-charges/property.js +2 -2
  186. package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.js +2 -3
  187. package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.js +2 -2
  188. package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.d.ts +6 -6
  189. package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.js +3 -3
  190. package/lib/commonjs/extensions/sb-ncbr/tunnels/props.js +2 -2
  191. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +3 -3
  192. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.js +3 -3
  193. package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +3 -3
  194. package/lib/commonjs/extensions/volumes-and-segmentations/external-api.js +2 -3
  195. package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +3 -3
  196. package/lib/commonjs/extensions/volumes-and-segmentations/helpers.js +6 -6
  197. package/lib/commonjs/extensions/volumes-and-segmentations/ui.d.ts +0 -1
  198. package/lib/commonjs/extensions/zenodo/ui.d.ts +0 -1
  199. package/lib/commonjs/mol-canvas3d/camera/transition.d.ts +1 -1
  200. package/lib/commonjs/mol-canvas3d/camera/transition.js +23 -6
  201. package/lib/commonjs/mol-canvas3d/camera/util.js +3 -4
  202. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +9 -1
  203. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.d.ts +1 -6
  204. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  205. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  206. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  207. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  208. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -0
  209. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +2 -1
  210. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +4 -3
  211. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +1 -0
  212. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +7 -2
  213. package/lib/commonjs/mol-canvas3d/util.js +3 -4
  214. package/lib/commonjs/mol-data/db/column-helpers.js +6 -7
  215. package/lib/commonjs/mol-data/db/column.d.ts +1 -1
  216. package/lib/commonjs/mol-data/generic/hash-set.js +1 -2
  217. package/lib/commonjs/mol-data/generic/linked-list.js +1 -2
  218. package/lib/commonjs/mol-data/int/impl/interval.js +15 -15
  219. package/lib/commonjs/mol-data/int/impl/ordered-set.js +25 -25
  220. package/lib/commonjs/mol-data/int/impl/segmentation.js +7 -7
  221. package/lib/commonjs/mol-data/int/impl/sorted-array.js +31 -31
  222. package/lib/commonjs/mol-data/int/linked-index.js +1 -2
  223. package/lib/commonjs/mol-data/util/array.js +5 -6
  224. package/lib/commonjs/mol-data/util/buckets.js +1 -2
  225. package/lib/commonjs/mol-data/util/combination.js +2 -2
  226. package/lib/commonjs/mol-data/util/equivalence-classes.js +2 -2
  227. package/lib/commonjs/mol-data/util/grouping.js +2 -3
  228. package/lib/commonjs/mol-data/util/hash-functions.js +9 -10
  229. package/lib/commonjs/mol-data/util/sort.js +5 -6
  230. package/lib/commonjs/mol-geo/geometry/base.d.ts +1 -1
  231. package/lib/commonjs/mol-geo/geometry/base.js +3 -3
  232. package/lib/commonjs/mol-geo/geometry/clipping-data.js +4 -5
  233. package/lib/commonjs/mol-geo/geometry/color-data.js +4 -5
  234. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -0
  235. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -0
  236. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -0
  237. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -0
  238. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +3 -4
  239. package/lib/commonjs/mol-geo/geometry/emissive-data.js +5 -6
  240. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +1 -1
  241. package/lib/commonjs/mol-geo/geometry/marker-data.js +3 -4
  242. package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +1 -2
  243. package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +2 -3
  244. package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +4 -5
  245. package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +1 -2
  246. package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +1 -2
  247. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +1 -2
  248. package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +2 -3
  249. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +1 -2
  250. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +7 -8
  251. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -0
  252. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -0
  253. package/lib/commonjs/mol-geo/geometry/overpaint-data.js +4 -5
  254. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  255. package/lib/commonjs/mol-geo/geometry/size-data.js +9 -9
  256. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
  257. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -0
  258. package/lib/commonjs/mol-geo/geometry/substance-data.js +4 -5
  259. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +3 -3
  260. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +7 -7
  261. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -0
  262. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -0
  263. package/lib/commonjs/mol-geo/geometry/transform-data.js +4 -5
  264. package/lib/commonjs/mol-geo/geometry/transparency-data.js +5 -6
  265. package/lib/commonjs/mol-geo/primitive/box.js +3 -4
  266. package/lib/commonjs/mol-geo/primitive/cage.js +3 -4
  267. package/lib/commonjs/mol-geo/primitive/circle.js +2 -2
  268. package/lib/commonjs/mol-geo/primitive/cylinder.js +2 -2
  269. package/lib/commonjs/mol-geo/primitive/dodecahedron.js +3 -3
  270. package/lib/commonjs/mol-geo/primitive/icosahedron.js +2 -3
  271. package/lib/commonjs/mol-geo/primitive/octahedron.js +4 -4
  272. package/lib/commonjs/mol-geo/primitive/plane.js +2 -3
  273. package/lib/commonjs/mol-geo/primitive/polygon.js +1 -2
  274. package/lib/commonjs/mol-geo/primitive/polyhedron.js +2 -2
  275. package/lib/commonjs/mol-geo/primitive/primitive.js +4 -5
  276. package/lib/commonjs/mol-geo/primitive/prism.js +11 -11
  277. package/lib/commonjs/mol-geo/primitive/pyramid.js +6 -7
  278. package/lib/commonjs/mol-geo/primitive/sphere.js +2 -3
  279. package/lib/commonjs/mol-geo/primitive/spiked-ball.js +1 -2
  280. package/lib/commonjs/mol-geo/primitive/star.js +2 -2
  281. package/lib/commonjs/mol-geo/primitive/tetrahedron.js +3 -3
  282. package/lib/commonjs/mol-geo/primitive/torus.js +2 -2
  283. package/lib/commonjs/mol-geo/primitive/wedge.js +3 -4
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  1383. package/lib/servers/volume/config.js +5 -5
  1384. package/package.json +197 -196
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
6
6
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -86,6 +86,7 @@ class ViewportScreenshotHelper extends component_1.PluginComponent {
86
86
  ...c.props.multiSample,
87
87
  mode: multisample ? 'on' : 'off',
88
88
  sampleLevel: colorBufferFloat && textureFloat ? 4 : 2,
89
+ reuseOcclusion: false,
89
90
  },
90
91
  postprocessing: {
91
92
  ...c.props.postprocessing,
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
6
6
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -25,7 +25,7 @@ const DownloadDensity = mol_state_1.StateAction.build({
25
25
  'pdb-xray': param_definition_1.ParamDefinition.Group({
26
26
  provider: param_definition_1.ParamDefinition.Group({
27
27
  id: param_definition_1.ParamDefinition.Text('1tqn', { label: 'Id' }),
28
- server: param_definition_1.ParamDefinition.Select('rcsb', [['pdbe', 'PDBe'], ['rcsb', 'RCSB PDB']]),
28
+ server: param_definition_1.ParamDefinition.Select('pdbe', [['pdbe', 'PDBe']]),
29
29
  }, { pivot: 'id' }),
30
30
  type: param_definition_1.ParamDefinition.Select('2fofc', [['2fofc', '2Fo-Fc'], ['fofc', 'Fo-Fc']]),
31
31
  }, { isFlat: true }),
@@ -68,18 +68,12 @@ const DownloadDensity = mol_state_1.StateAction.build({
68
68
  downloadParams = src.params;
69
69
  break;
70
70
  case 'pdb-xray':
71
- downloadParams = src.params.provider.server === 'pdbe' ? {
71
+ downloadParams = {
72
72
  url: assets_1.Asset.Url(src.params.type === '2fofc'
73
73
  ? `https://www.ebi.ac.uk/pdbe/coordinates/files/${src.params.provider.id.toLowerCase()}.ccp4`
74
74
  : `https://www.ebi.ac.uk/pdbe/coordinates/files/${src.params.provider.id.toLowerCase()}_diff.ccp4`),
75
75
  isBinary: true,
76
76
  label: `PDBe X-ray map: ${src.params.provider.id}`
77
- } : {
78
- url: assets_1.Asset.Url(src.params.type === '2fofc'
79
- ? `https://edmaps.rcsb.org/maps/${src.params.provider.id.toLowerCase()}_2fofc.dsn6`
80
- : `https://edmaps.rcsb.org/maps/${src.params.provider.id.toLowerCase()}_fofc.dsn6`),
81
- isBinary: true,
82
- label: `RCSB X-ray map: ${src.params.provider.id}`
83
77
  };
84
78
  break;
85
79
  case 'pdb-emd-ds':
@@ -115,9 +109,7 @@ const DownloadDensity = mol_state_1.StateAction.build({
115
109
  break;
116
110
  case 'pdb-xray':
117
111
  entryId = src.params.provider.id;
118
- provider = src.params.provider.server === 'pdbe'
119
- ? plugin.dataFormats.get('ccp4')
120
- : plugin.dataFormats.get('dsn6');
112
+ provider = plugin.dataFormats.get('ccp4');
121
113
  break;
122
114
  case 'pdb-emd-ds':
123
115
  case 'pdb-xray-ds':
@@ -20,6 +20,6 @@ export declare const AnimateModelIndex: PluginStateAnimation<{
20
20
  }>, "computed">;
21
21
  }, {
22
22
  palindromeDirections?: {
23
- [id: string]: 1 | -1 | undefined;
24
- } | undefined;
23
+ [id: string]: -1 | 1 | undefined;
24
+ };
25
25
  }>;
@@ -6,7 +6,11 @@
6
6
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.spinStructure = exports.getSpinStructureAxisAndOrigin = exports.SpinStructureParams = exports.explodeStructure = exports.unwindStructureAssembly = void 0;
9
+ exports.SpinStructureParams = void 0;
10
+ exports.unwindStructureAssembly = unwindStructureAssembly;
11
+ exports.explodeStructure = explodeStructure;
12
+ exports.getSpinStructureAxisAndOrigin = getSpinStructureAxisAndOrigin;
13
+ exports.spinStructure = spinStructure;
10
14
  const param_definition_1 = require("../../mol-util/param-definition");
11
15
  const geometry_1 = require("../../mol-math/geometry");
12
16
  const linear_algebra_1 = require("../../mol-math/linear-algebra");
@@ -19,7 +23,6 @@ function unwindStructureAssembly(structure, unitTransforms, t) {
19
23
  unitTransforms.setTransform(_unwindMatrix, u);
20
24
  }
21
25
  }
22
- exports.unwindStructureAssembly = unwindStructureAssembly;
23
26
  const _centerVec = (0, linear_algebra_1.Vec3)(), _transVec = (0, linear_algebra_1.Vec3)(), _transMat = (0, linear_algebra_1.Mat4)();
24
27
  function explodeStructure(structure, unitTransforms, t, sphere) {
25
28
  const d = sphere.radius * t;
@@ -32,7 +35,6 @@ function explodeStructure(structure, unitTransforms, t, sphere) {
32
35
  unitTransforms.setTransform(_transMat, u);
33
36
  }
34
37
  }
35
- exports.explodeStructure = explodeStructure;
36
38
  //
37
39
  exports.SpinStructureParams = {
38
40
  axis: param_definition_1.ParamDefinition.MappedStatic('custom', {
@@ -68,7 +70,6 @@ function getSpinStructureAxisAndOrigin(structure, props) {
68
70
  }
69
71
  return { axis, origin };
70
72
  }
71
- exports.getSpinStructureAxisAndOrigin = getSpinStructureAxisAndOrigin;
72
73
  const _rotMat = (0, linear_algebra_1.Mat4)();
73
74
  const _transMat2 = (0, linear_algebra_1.Mat4)();
74
75
  const _t = (0, linear_algebra_1.Mat4)();
@@ -84,4 +85,3 @@ function spinStructure(structure, unitTransforms, t, axis, origin) {
84
85
  unitTransforms.setTransform(_t, u);
85
86
  }
86
87
  }
87
- exports.spinStructure = spinStructure;
@@ -6,7 +6,8 @@
6
6
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.PresetTrajectoryHierarchy = exports.TrajectoryHierarchyPresetProvider = void 0;
9
+ exports.PresetTrajectoryHierarchy = void 0;
10
+ exports.TrajectoryHierarchyPresetProvider = TrajectoryHierarchyPresetProvider;
10
11
  const param_definition_1 = require("../../../mol-util/param-definition");
11
12
  const mol_state_1 = require("../../../mol-state");
12
13
  const transforms_1 = require("../../transforms");
@@ -18,7 +19,6 @@ const util_1 = require("../../../mol-repr/util");
18
19
  const operator_name_1 = require("../../../mol-theme/color/operator-name");
19
20
  const config_1 = require("../../../mol-plugin/config");
20
21
  function TrajectoryHierarchyPresetProvider(preset) { return preset; }
21
- exports.TrajectoryHierarchyPresetProvider = TrajectoryHierarchyPresetProvider;
22
22
  (function (TrajectoryHierarchyPresetProvider) {
23
23
  TrajectoryHierarchyPresetProvider.CommonParams = (a, plugin) => ({
24
24
  modelProperties: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Group(mol_state_1.StateTransformer.getParamDefinition(transforms_1.StateTransforms.Model.CustomModelProperties, void 0, plugin))),
@@ -6,7 +6,10 @@
6
6
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.PresetStructureRepresentations = exports.presetSelectionComponent = exports.presetStaticComponent = exports.StructureRepresentationPresetProvider = void 0;
9
+ exports.PresetStructureRepresentations = void 0;
10
+ exports.StructureRepresentationPresetProvider = StructureRepresentationPresetProvider;
11
+ exports.presetStaticComponent = presetStaticComponent;
12
+ exports.presetSelectionComponent = presetSelectionComponent;
10
13
  const param_definition_1 = require("../../../mol-util/param-definition");
11
14
  const base_1 = require("../../../mol-geo/geometry/base");
12
15
  const structure_1 = require("../../../mol-model/structure");
@@ -22,7 +25,6 @@ const struct_conn_1 = require("../../../mol-model-formats/structure/property/bon
22
25
  const type_helpers_1 = require("../../../mol-util/type-helpers");
23
26
  const vec3_1 = require("../../../mol-math/linear-algebra/3d/vec3");
24
27
  function StructureRepresentationPresetProvider(repr) { return repr; }
25
- exports.StructureRepresentationPresetProvider = StructureRepresentationPresetProvider;
26
28
  (function (StructureRepresentationPresetProvider) {
27
29
  StructureRepresentationPresetProvider.CommonParams = {
28
30
  ignoreHydrogens: param_definition_1.ParamDefinition.Optional(param_definition_1.ParamDefinition.Boolean(false)),
@@ -417,11 +419,9 @@ const autoLod = StructureRepresentationPresetProvider({
417
419
  function presetStaticComponent(plugin, structure, type, params) {
418
420
  return plugin.builders.structure.tryCreateComponentStatic(structure, type, params);
419
421
  }
420
- exports.presetStaticComponent = presetStaticComponent;
421
422
  function presetSelectionComponent(plugin, structure, query, params) {
422
423
  return plugin.builders.structure.tryCreateComponentFromSelection(structure, structure_selection_query_1.StructureSelectionQueries[query], `selection-${query}`, params);
423
424
  }
424
- exports.presetSelectionComponent = presetSelectionComponent;
425
425
  exports.PresetStructureRepresentations = {
426
426
  empty,
427
427
  auto,
@@ -6,10 +6,10 @@
6
6
  * @author David Sehnal <david.sehnal@gmail.com>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.guessCifVariant = exports.DataFormatProvider = void 0;
9
+ exports.DataFormatProvider = DataFormatProvider;
10
+ exports.guessCifVariant = guessCifVariant;
10
11
  const decode_1 = require("../../mol-io/common/msgpack/decode");
11
12
  function DataFormatProvider(provider) { return provider; }
12
- exports.DataFormatProvider = DataFormatProvider;
13
13
  function guessCifVariant(info, data) {
14
14
  if (info.ext === 'bcif') {
15
15
  try {
@@ -37,4 +37,3 @@ function guessCifVariant(info, data) {
37
37
  }
38
38
  return -1;
39
39
  }
40
- exports.guessCifVariant = guessCifVariant;
@@ -25,6 +25,6 @@ export declare class DataFormatRegistry {
25
25
  get(name: string): DataFormatProvider | undefined;
26
26
  get list(): {
27
27
  name: string;
28
- provider: DataFormatProvider<any, any, any>;
28
+ provider: DataFormatProvider;
29
29
  }[];
30
30
  }
@@ -28,39 +28,39 @@ export declare const MolProvider: TrajectoryFormatProvider;
28
28
  export declare const SdfProvider: TrajectoryFormatProvider;
29
29
  export declare const Mol2Provider: TrajectoryFormatProvider;
30
30
  export declare const BuiltInTrajectoryFormats: readonly [readonly ["mmcif", TrajectoryFormatProvider<{
31
- trajectoryTags?: string | string[] | undefined;
31
+ trajectoryTags?: string | string[];
32
32
  }, {
33
33
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
34
34
  }>], readonly ["cifCore", TrajectoryFormatProvider<{
35
- trajectoryTags?: string | string[] | undefined;
35
+ trajectoryTags?: string | string[];
36
36
  }, {
37
37
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
38
38
  }>], readonly ["pdb", TrajectoryFormatProvider<{
39
- trajectoryTags?: string | string[] | undefined;
39
+ trajectoryTags?: string | string[];
40
40
  }, {
41
41
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
42
42
  }>], readonly ["pdbqt", TrajectoryFormatProvider<{
43
- trajectoryTags?: string | string[] | undefined;
43
+ trajectoryTags?: string | string[];
44
44
  }, {
45
45
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
46
46
  }>], readonly ["gro", TrajectoryFormatProvider<{
47
- trajectoryTags?: string | string[] | undefined;
47
+ trajectoryTags?: string | string[];
48
48
  }, {
49
49
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
50
50
  }>], readonly ["xyz", TrajectoryFormatProvider<{
51
- trajectoryTags?: string | string[] | undefined;
51
+ trajectoryTags?: string | string[];
52
52
  }, {
53
53
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
54
54
  }>], readonly ["mol", TrajectoryFormatProvider<{
55
- trajectoryTags?: string | string[] | undefined;
55
+ trajectoryTags?: string | string[];
56
56
  }, {
57
57
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
58
58
  }>], readonly ["sdf", TrajectoryFormatProvider<{
59
- trajectoryTags?: string | string[] | undefined;
59
+ trajectoryTags?: string | string[];
60
60
  }, {
61
61
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
62
62
  }>], readonly ["mol2", TrajectoryFormatProvider<{
63
- trajectoryTags?: string | string[] | undefined;
63
+ trajectoryTags?: string | string[];
64
64
  }, {
65
65
  trajectory: StateObjectRef<PluginStateObject.Molecule.Trajectory>;
66
66
  }>]];
@@ -8,7 +8,6 @@
8
8
  import { PluginContext } from '../../mol-plugin/context';
9
9
  import { StateObjectSelector } from '../../mol-state';
10
10
  import { PluginStateObject } from '../objects';
11
- import { Volume } from '../../mol-model/volume';
12
11
  export declare const VolumeFormatCategory = "Volume";
13
12
  type Params = {
14
13
  entryId?: string;
@@ -6,7 +6,7 @@
6
6
  * @author David Sehnal <david.sehnal@gmail.com>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.setStructureClipping = void 0;
9
+ exports.setStructureClipping = setStructureClipping;
10
10
  const structure_1 = require("../../mol-model/structure");
11
11
  const transforms_1 = require("../../mol-plugin-state/transforms");
12
12
  const mol_state_1 = require("../../mol-state");
@@ -39,7 +39,6 @@ async function setStructureClipping(plugin, components, groups, lociGetter, type
39
39
  }
40
40
  });
41
41
  }
42
- exports.setStructureClipping = setStructureClipping;
43
42
  async function eachRepr(plugin, components, callback) {
44
43
  const state = plugin.state.data;
45
44
  const update = state.build();
@@ -5,7 +5,9 @@
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
- exports.updateStructureComponent = exports.createStructureComponent = exports.StructureComponentParams = exports.StaticStructureComponentTypes = void 0;
8
+ exports.StructureComponentParams = exports.StaticStructureComponentTypes = void 0;
9
+ exports.createStructureComponent = createStructureComponent;
10
+ exports.updateStructureComponent = updateStructureComponent;
9
11
  const param_definition_1 = require("../../mol-util/param-definition");
10
12
  const builder_1 = require("../../mol-script/language/builder");
11
13
  const structure_1 = require("../../mol-model/structure");
@@ -116,7 +118,6 @@ function createStructureComponent(a, params, cache) {
116
118
  const props = { label: `${params.label || label || 'Component'}`, description: structure_1.Structure.elementDescription(component) };
117
119
  return new objects_1.PluginStateObject.Molecule.Structure(component, props);
118
120
  }
119
- exports.createStructureComponent = createStructureComponent;
120
121
  function updateStructureComponent(a, b, oldParams, newParams, cache) {
121
122
  if (oldParams.type.name !== newParams.type.name)
122
123
  return mol_state_1.StateTransformer.UpdateResult.Recreate;
@@ -181,4 +182,3 @@ function updateStructureComponent(a, b, oldParams, newParams, cache) {
181
182
  }
182
183
  return updated ? mol_state_1.StateTransformer.UpdateResult.Updated : mol_state_1.StateTransformer.UpdateResult.Unchanged;
183
184
  }
184
- exports.updateStructureComponent = updateStructureComponent;
@@ -6,7 +6,8 @@
6
6
  * @author David Sehnal <david.sehnal@gmail.com>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.clearStructureEmissive = exports.setStructureEmissive = void 0;
9
+ exports.setStructureEmissive = setStructureEmissive;
10
+ exports.clearStructureEmissive = clearStructureEmissive;
10
11
  const structure_1 = require("../../mol-model/structure");
11
12
  const transforms_1 = require("../transforms");
12
13
  const mol_state_1 = require("../../mol-state");
@@ -39,7 +40,6 @@ async function setStructureEmissive(plugin, components, value, lociGetter, types
39
40
  }
40
41
  });
41
42
  }
42
- exports.setStructureEmissive = setStructureEmissive;
43
43
  async function clearStructureEmissive(plugin, components, types) {
44
44
  await eachRepr(plugin, components, async (update, repr, emissiveCell) => {
45
45
  if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
@@ -49,7 +49,6 @@ async function clearStructureEmissive(plugin, components, types) {
49
49
  }
50
50
  });
51
51
  }
52
- exports.clearStructureEmissive = clearStructureEmissive;
53
52
  async function eachRepr(plugin, components, callback) {
54
53
  const state = plugin.state.data;
55
54
  const update = state.build();
@@ -6,7 +6,8 @@
6
6
  * @author David Sehnal <david.sehnal@gmail.com>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.clearStructureOverpaint = exports.setStructureOverpaint = void 0;
9
+ exports.setStructureOverpaint = setStructureOverpaint;
10
+ exports.clearStructureOverpaint = clearStructureOverpaint;
10
11
  const structure_1 = require("../../mol-model/structure");
11
12
  const transforms_1 = require("../../mol-plugin-state/transforms");
12
13
  const mol_state_1 = require("../../mol-state");
@@ -41,7 +42,6 @@ async function setStructureOverpaint(plugin, components, color, lociGetter, type
41
42
  }
42
43
  });
43
44
  }
44
- exports.setStructureOverpaint = setStructureOverpaint;
45
45
  async function clearStructureOverpaint(plugin, components, types) {
46
46
  await eachRepr(plugin, components, async (update, repr, overpaintCell) => {
47
47
  if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
@@ -51,7 +51,6 @@ async function clearStructureOverpaint(plugin, components, types) {
51
51
  }
52
52
  });
53
53
  }
54
- exports.clearStructureOverpaint = clearStructureOverpaint;
55
54
  async function eachRepr(plugin, components, callback) {
56
55
  const state = plugin.state.data;
57
56
  const update = state.build();
@@ -5,7 +5,10 @@
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
- exports.createStructureSizeThemeParams = exports.createStructureColorThemeParams = exports.getStructureThemeTypes = exports.createStructureRepresentationParams = void 0;
8
+ exports.createStructureRepresentationParams = createStructureRepresentationParams;
9
+ exports.getStructureThemeTypes = getStructureThemeTypes;
10
+ exports.createStructureColorThemeParams = createStructureColorThemeParams;
11
+ exports.createStructureSizeThemeParams = createStructureSizeThemeParams;
9
12
  const structure_1 = require("../../mol-model/structure");
10
13
  const param_definition_1 = require("../../mol-util/param-definition");
11
14
  function createStructureRepresentationParams(ctx, structure, props = {}) {
@@ -14,14 +17,12 @@ function createStructureRepresentationParams(ctx, structure, props = {}) {
14
17
  return createParamsByName(ctx, structure || structure_1.Structure.Empty, props);
15
18
  return createParamsProvider(ctx, structure || structure_1.Structure.Empty, props);
16
19
  }
17
- exports.createStructureRepresentationParams = createStructureRepresentationParams;
18
20
  function getStructureThemeTypes(ctx, structure) {
19
21
  const { themes: themeCtx } = ctx.representation.structure;
20
22
  if (!structure)
21
23
  return themeCtx.colorThemeRegistry.types;
22
24
  return themeCtx.colorThemeRegistry.getApplicableTypes({ structure });
23
25
  }
24
- exports.getStructureThemeTypes = getStructureThemeTypes;
25
26
  function createStructureColorThemeParams(ctx, structure, typeName, themeName, params) {
26
27
  const { registry, themes } = ctx.representation.structure;
27
28
  const repr = registry.get(typeName || registry.default.name);
@@ -31,7 +32,6 @@ function createStructureColorThemeParams(ctx, structure, typeName, themeName, pa
31
32
  Object.assign(colorDefaultParams, repr.defaultColorTheme.props);
32
33
  return { name: color.name, params: Object.assign(colorDefaultParams, params) };
33
34
  }
34
- exports.createStructureColorThemeParams = createStructureColorThemeParams;
35
35
  function createStructureSizeThemeParams(ctx, structure, typeName, themeName, params) {
36
36
  const { registry, themes } = ctx.representation.structure;
37
37
  const repr = registry.get(typeName || registry.default.name);
@@ -41,7 +41,6 @@ function createStructureSizeThemeParams(ctx, structure, typeName, themeName, par
41
41
  Object.assign(sizeDefaultParams, repr.defaultSizeTheme.props);
42
42
  return { name: size.name, params: Object.assign(sizeDefaultParams, params) };
43
43
  }
44
- exports.createStructureSizeThemeParams = createStructureSizeThemeParams;
45
44
  function createParamsByName(ctx, structure, props) {
46
45
  const typeProvider = (props.type && ctx.representation.structure.registry.get(props.type))
47
46
  || ctx.representation.structure.registry.default.provider;
@@ -6,7 +6,15 @@
6
6
  * @author David Sehnal <david.sehnal@gmail.com>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.StructureSelectionQueryRegistry = exports.StructureSelectionQueries = exports.applyBuiltInSelection = exports.getPolymerAndBranchedEntityQueries = exports.getNonStandardResidueQueries = exports.getElementQueries = exports.EntityDescriptionQuery = exports.ElementSymbolQuery = exports.ResidueQuery = exports.StructureSelectionQuery = exports.StructureSelectionCategory = void 0;
9
+ exports.StructureSelectionQueryRegistry = exports.StructureSelectionQueries = exports.StructureSelectionCategory = void 0;
10
+ exports.StructureSelectionQuery = StructureSelectionQuery;
11
+ exports.ResidueQuery = ResidueQuery;
12
+ exports.ElementSymbolQuery = ElementSymbolQuery;
13
+ exports.EntityDescriptionQuery = EntityDescriptionQuery;
14
+ exports.getElementQueries = getElementQueries;
15
+ exports.getNonStandardResidueQueries = getNonStandardResidueQueries;
16
+ exports.getPolymerAndBranchedEntityQueries = getPolymerAndBranchedEntityQueries;
17
+ exports.applyBuiltInSelection = applyBuiltInSelection;
10
18
  const structure_1 = require("../../mol-model/structure");
11
19
  const types_1 = require("../../mol-model/structure/model/types");
12
20
  const builder_1 = require("../../mol-script/language/builder");
@@ -58,7 +66,6 @@ function StructureSelectionQuery(label, expression, props = {}) {
58
66
  }
59
67
  };
60
68
  }
61
- exports.StructureSelectionQuery = StructureSelectionQuery;
62
69
  const all = StructureSelectionQuery('All', builder_1.MolScriptBuilder.struct.generator.all(), { category: '', priority: 1000 });
63
70
  const current = StructureSelectionQuery('Current Selection', builder_1.MolScriptBuilder.internal.generator.current(), { category: '', referencesCurrent: true });
64
71
  const polymer = StructureSelectionQuery('Polymer', builder_1.MolScriptBuilder.struct.modifier.union([
@@ -560,7 +567,6 @@ function ResidueQuery([names, label], category, priority = 0) {
560
567
  })
561
568
  ]), { category, priority, description });
562
569
  }
563
- exports.ResidueQuery = ResidueQuery;
564
570
  function ElementSymbolQuery([names, label], category, priority) {
565
571
  const description = `${label} (${names.join(', ')})`;
566
572
  return StructureSelectionQuery(description, builder_1.MolScriptBuilder.struct.modifier.union([
@@ -569,7 +575,6 @@ function ElementSymbolQuery([names, label], category, priority) {
569
575
  })
570
576
  ]), { category, priority, description });
571
577
  }
572
- exports.ElementSymbolQuery = ElementSymbolQuery;
573
578
  function EntityDescriptionQuery([names, label], category, priority) {
574
579
  const description = `${label}`;
575
580
  return StructureSelectionQuery(`${label}`, builder_1.MolScriptBuilder.struct.modifier.union([
@@ -578,7 +583,6 @@ function EntityDescriptionQuery([names, label], category, priority) {
578
583
  })
579
584
  ]), { category, priority, description });
580
585
  }
581
- exports.EntityDescriptionQuery = EntityDescriptionQuery;
582
586
  const StandardResidues = set_1.SetUtils.unionMany(types_1.AminoAcidNamesL, types_1.RnaBaseNames, types_1.DnaBaseNames, types_1.WaterNames);
583
587
  function getElementQueries(structures) {
584
588
  const uniqueElements = new Set();
@@ -592,7 +596,6 @@ function getElementQueries(structures) {
592
596
  });
593
597
  return queries;
594
598
  }
595
- exports.getElementQueries = getElementQueries;
596
599
  function getNonStandardResidueQueries(structures) {
597
600
  const residueLabels = new Map();
598
601
  const uniqueResidues = new Set();
@@ -613,7 +616,6 @@ function getNonStandardResidueQueries(structures) {
613
616
  });
614
617
  return queries;
615
618
  }
616
- exports.getNonStandardResidueQueries = getNonStandardResidueQueries;
617
619
  function getPolymerAndBranchedEntityQueries(structures) {
618
620
  const uniqueEntities = new Map();
619
621
  const l = structure_1.StructureElement.Location.create();
@@ -635,11 +637,9 @@ function getPolymerAndBranchedEntityQueries(structures) {
635
637
  });
636
638
  return queries;
637
639
  }
638
- exports.getPolymerAndBranchedEntityQueries = getPolymerAndBranchedEntityQueries;
639
640
  function applyBuiltInSelection(to, query, customTag) {
640
641
  return to.apply(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, { expression: exports.StructureSelectionQueries[query].expression, label: exports.StructureSelectionQueries[query].label }, { tags: customTag ? [query, customTag] : [query] });
641
642
  }
642
- exports.applyBuiltInSelection = applyBuiltInSelection;
643
643
  exports.StructureSelectionQueries = {
644
644
  all,
645
645
  current,
@@ -6,7 +6,8 @@
6
6
  * @author David Sehnal <david.sehnal@gmail.com>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.clearStructureSubstance = exports.setStructureSubstance = void 0;
9
+ exports.setStructureSubstance = setStructureSubstance;
10
+ exports.clearStructureSubstance = clearStructureSubstance;
10
11
  const structure_1 = require("../../mol-model/structure");
11
12
  const transforms_1 = require("../../mol-plugin-state/transforms");
12
13
  const mol_state_1 = require("../../mol-state");
@@ -41,7 +42,6 @@ async function setStructureSubstance(plugin, components, material, lociGetter, t
41
42
  }
42
43
  });
43
44
  }
44
- exports.setStructureSubstance = setStructureSubstance;
45
45
  async function clearStructureSubstance(plugin, components, types) {
46
46
  await eachRepr(plugin, components, async (update, repr, substanceCell) => {
47
47
  if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
@@ -51,7 +51,6 @@ async function clearStructureSubstance(plugin, components, types) {
51
51
  }
52
52
  });
53
53
  }
54
- exports.clearStructureSubstance = clearStructureSubstance;
55
54
  async function eachRepr(plugin, components, callback) {
56
55
  const state = plugin.state.data;
57
56
  const update = state.build();
@@ -6,7 +6,8 @@
6
6
  * @author David Sehnal <david.sehnal@gmail.com>
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.clearStructureTransparency = exports.setStructureTransparency = void 0;
9
+ exports.setStructureTransparency = setStructureTransparency;
10
+ exports.clearStructureTransparency = clearStructureTransparency;
10
11
  const structure_1 = require("../../mol-model/structure");
11
12
  const transforms_1 = require("../../mol-plugin-state/transforms");
12
13
  const mol_state_1 = require("../../mol-state");
@@ -39,7 +40,6 @@ async function setStructureTransparency(plugin, components, value, lociGetter, t
39
40
  }
40
41
  });
41
42
  }
42
- exports.setStructureTransparency = setStructureTransparency;
43
43
  async function clearStructureTransparency(plugin, components, types) {
44
44
  await eachRepr(plugin, components, async (update, repr, transparencyCell) => {
45
45
  if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
@@ -49,7 +49,6 @@ async function clearStructureTransparency(plugin, components, types) {
49
49
  }
50
50
  });
51
51
  }
52
- exports.clearStructureTransparency = clearStructureTransparency;
53
52
  async function eachRepr(plugin, components, callback) {
54
53
  const state = plugin.state.data;
55
54
  const update = state.build();
@@ -5,7 +5,10 @@
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
- exports.createVolumeSizeThemeParams = exports.createVolumeColorThemeParams = exports.getVolumeThemeTypes = exports.createVolumeRepresentationParams = void 0;
8
+ exports.createVolumeRepresentationParams = createVolumeRepresentationParams;
9
+ exports.getVolumeThemeTypes = getVolumeThemeTypes;
10
+ exports.createVolumeColorThemeParams = createVolumeColorThemeParams;
11
+ exports.createVolumeSizeThemeParams = createVolumeSizeThemeParams;
9
12
  const volume_1 = require("../../mol-model/volume");
10
13
  const param_definition_1 = require("../../mol-util/param-definition");
11
14
  function createVolumeRepresentationParams(ctx, volume, props = {}) {
@@ -14,14 +17,12 @@ function createVolumeRepresentationParams(ctx, volume, props = {}) {
14
17
  return createParamsByName(ctx, volume || volume_1.Volume.One, props);
15
18
  return createParamsProvider(ctx, volume || volume_1.Volume.One, props);
16
19
  }
17
- exports.createVolumeRepresentationParams = createVolumeRepresentationParams;
18
20
  function getVolumeThemeTypes(ctx, volume) {
19
21
  const { themes: themeCtx } = ctx.representation.volume;
20
22
  if (!volume)
21
23
  return themeCtx.colorThemeRegistry.types;
22
24
  return themeCtx.colorThemeRegistry.getApplicableTypes({ volume });
23
25
  }
24
- exports.getVolumeThemeTypes = getVolumeThemeTypes;
25
26
  function createVolumeColorThemeParams(ctx, volume, typeName, themeName, params) {
26
27
  const { registry, themes } = ctx.representation.volume;
27
28
  const repr = registry.get(typeName || registry.default.name);
@@ -31,7 +32,6 @@ function createVolumeColorThemeParams(ctx, volume, typeName, themeName, params)
31
32
  Object.assign(colorDefaultParams, repr.defaultColorTheme.props);
32
33
  return { name: color.name, params: Object.assign(colorDefaultParams, params) };
33
34
  }
34
- exports.createVolumeColorThemeParams = createVolumeColorThemeParams;
35
35
  function createVolumeSizeThemeParams(ctx, volume, typeName, themeName, params) {
36
36
  const { registry, themes } = ctx.representation.volume;
37
37
  const repr = registry.get(typeName || registry.default.name);
@@ -41,7 +41,6 @@ function createVolumeSizeThemeParams(ctx, volume, typeName, themeName, params) {
41
41
  Object.assign(sizeDefaultParams, repr.defaultSizeTheme.props);
42
42
  return { name: size.name, params: Object.assign(sizeDefaultParams, params) };
43
43
  }
44
- exports.createVolumeSizeThemeParams = createVolumeSizeThemeParams;
45
44
  function createParamsByName(ctx, volume, props) {
46
45
  const typeProvider = (props.type && ctx.representation.volume.registry.get(props.type))
47
46
  || ctx.representation.volume.registry.default.provider;
@@ -1,6 +1,7 @@
1
1
  "use strict";
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
- exports.getPcaTransform = exports.pcaFocus = void 0;
3
+ exports.pcaFocus = pcaFocus;
4
+ exports.getPcaTransform = getPcaTransform;
4
5
  const vec3_1 = require("../../..//mol-math/linear-algebra/3d/vec3");
5
6
  const principal_axes_1 = require("../../../mol-math/linear-algebra/matrix/principal-axes");
6
7
  const camera_1 = require("../../../mol-canvas3d/camera");
@@ -97,7 +98,6 @@ function pcaFocus(plugin, radius, options) {
97
98
  }
98
99
  return plugin.canvas3d.camera.getFocus(origin, radius, up, dir, camera_1.Camera.createDefaultSnapshot());
99
100
  }
100
- exports.pcaFocus = pcaFocus;
101
101
  function getPcaTransform(group) {
102
102
  var _a;
103
103
  const structure = (_a = group[0].cell.obj) === null || _a === void 0 ? void 0 : _a.data;
@@ -119,4 +119,3 @@ function getPcaTransform(group) {
119
119
  structure.currentPropertyData._pcaTransformData = pcaTransfromData;
120
120
  return pcaTransfromData;
121
121
  }
122
- exports.getPcaTransform = getPcaTransform;
@@ -5,7 +5,10 @@
5
5
  * @author Adam Midlik <midlik@gmail.com>
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
- exports.changeCameraRotation = exports.layingTransform = exports.structureLayingTransform = exports.ROTATION_MATRICES = void 0;
8
+ exports.ROTATION_MATRICES = void 0;
9
+ exports.structureLayingTransform = structureLayingTransform;
10
+ exports.layingTransform = layingTransform;
11
+ exports.changeCameraRotation = changeCameraRotation;
9
12
  const linear_algebra_1 = require("../../../mol-math/linear-algebra");
10
13
  const principal_axes_1 = require("../../../mol-math/linear-algebra/matrix/principal-axes");
11
14
  const structure_1 = require("../../../mol-model/structure");
@@ -38,7 +41,6 @@ function structureLayingTransform(structures, referenceRotation) {
38
41
  const coords = smartSelectCoords(structures, MIN_ATOMS_FOR_PCA);
39
42
  return layingTransform(coords, referenceRotation);
40
43
  }
41
- exports.structureLayingTransform = structureLayingTransform;
42
44
  /** Return transformation which will align the PCA axes of a sequence
43
45
  * of points to the Cartesian axes x, y, z
44
46
  * (transformed = rotation * (coords - origin)).
@@ -62,7 +64,6 @@ function layingTransform(coords, referenceRotation) {
62
64
  linear_algebra_1.Mat3.mul(R, flip, R);
63
65
  return { rotation: R, origin: normAxes.origin };
64
66
  }
65
- exports.layingTransform = layingTransform;
66
67
  /** Try these selection strategies until having at least `minAtoms` atoms:
67
68
  * 1. only trace atoms (e.g. C-alpha and O3')
68
69
  * 2. all non-hydrogen atoms with exception of water (HOH)
@@ -213,4 +214,3 @@ function changeCameraRotation(old, rotation) {
213
214
  const newPosition = linear_algebra_1.Vec3.add((0, linear_algebra_1.Vec3)(), old.target, relPosition);
214
215
  return { ...old, position: newPosition, up: newUp };
215
216
  }
216
- exports.changeCameraRotation = changeCameraRotation;