molstar 4.2.0 → 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 (1216) hide show
  1. package/build/viewer/molstar.css +1 -1
  2. package/build/viewer/molstar.js +1 -1
  3. package/lib/apps/docking-viewer/viewport.d.ts +1 -1
  4. package/lib/apps/docking-viewer/viewport.js +2 -1
  5. package/lib/apps/mesoscale-explorer/app.d.ts +3 -1
  6. package/lib/apps/mesoscale-explorer/app.js +12 -1
  7. package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
  8. package/lib/apps/mesoscale-explorer/behavior/camera.js +32 -6
  9. package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
  10. package/lib/apps/mesoscale-explorer/behavior/select.js +58 -9
  11. package/lib/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
  12. package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +8 -5
  13. package/lib/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
  14. package/lib/apps/mesoscale-explorer/data/generic/model.js +2 -1
  15. package/lib/apps/mesoscale-explorer/data/generic/preset.js +7 -6
  16. package/lib/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
  17. package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +6 -3
  18. package/lib/apps/mesoscale-explorer/data/petworld/model.js +3 -1
  19. package/lib/apps/mesoscale-explorer/data/petworld/preset.js +6 -3
  20. package/lib/apps/mesoscale-explorer/data/state.d.ts +48 -10
  21. package/lib/apps/mesoscale-explorer/data/state.js +83 -8
  22. package/lib/apps/mesoscale-explorer/index.html +6 -1
  23. package/lib/apps/mesoscale-explorer/style.scss +33 -0
  24. package/lib/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
  25. package/lib/apps/mesoscale-explorer/ui/entities.js +301 -32
  26. package/lib/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
  27. package/lib/apps/mesoscale-explorer/ui/panels.js +42 -5
  28. package/lib/apps/mesoscale-explorer/ui/states.d.ts +60 -2
  29. package/lib/apps/mesoscale-explorer/ui/states.js +471 -11
  30. package/lib/apps/viewer/app.d.ts +12 -5
  31. package/lib/apps/viewer/app.js +30 -1
  32. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +1 -1
  33. package/lib/commonjs/apps/docking-viewer/viewport.js +2 -1
  34. package/lib/commonjs/apps/mesoscale-explorer/app.d.ts +3 -1
  35. package/lib/commonjs/apps/mesoscale-explorer/app.js +12 -1
  36. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
  37. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.js +34 -8
  38. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
  39. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.js +58 -9
  40. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
  41. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +8 -6
  42. package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
  43. package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.js +2 -1
  44. package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +9 -9
  45. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
  46. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +6 -4
  47. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/model.js +3 -1
  48. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +6 -4
  49. package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +48 -10
  50. package/lib/commonjs/apps/mesoscale-explorer/data/state.js +107 -28
  51. package/lib/commonjs/apps/mesoscale-explorer/data/util.js +2 -3
  52. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
  53. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +302 -30
  54. package/lib/commonjs/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
  55. package/lib/commonjs/apps/mesoscale-explorer/ui/panels.js +39 -2
  56. package/lib/commonjs/apps/mesoscale-explorer/ui/states.d.ts +60 -2
  57. package/lib/commonjs/apps/mesoscale-explorer/ui/states.js +477 -13
  58. package/lib/commonjs/apps/viewer/app.d.ts +12 -5
  59. package/lib/commonjs/apps/viewer/app.js +29 -0
  60. package/lib/commonjs/cli/chem-comp-dict/util.js +7 -7
  61. package/lib/commonjs/cli/cif2bcif/converter.js +1 -2
  62. package/lib/commonjs/cli/cifschema/util/cif-dic.js +2 -3
  63. package/lib/commonjs/cli/cifschema/util/generate.js +1 -2
  64. package/lib/commonjs/cli/cifschema/util/helper.js +1 -2
  65. package/lib/commonjs/cli/cifschema/util/schema.js +9 -10
  66. package/lib/commonjs/cli/state-docs/pd-to-md.js +1 -2
  67. package/lib/commonjs/cli/structure-info/helpers.js +2 -3
  68. package/lib/commonjs/cli/structure-info/model.js +11 -12
  69. package/lib/commonjs/examples/alpha-orbitals/controls.js +1 -2
  70. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +2 -2
  71. package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
  72. package/lib/commonjs/examples/domain-annotation-server/mapping.js +1 -2
  73. package/lib/commonjs/examples/lighting/index.d.ts +1 -1
  74. package/lib/commonjs/examples/lighting/index.js +2 -1
  75. package/lib/commonjs/examples/proteopedia-wrapper/coloring.d.ts +5 -20
  76. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +1 -2
  77. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +1 -2
  78. package/lib/commonjs/examples/task.js +6 -6
  79. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +1 -2
  80. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +4 -5
  81. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
  82. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
  83. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
  84. package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +2 -2
  85. package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +3 -3
  86. package/lib/commonjs/extensions/anvil/algorithm.js +5 -5
  87. package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
  88. package/lib/commonjs/extensions/anvil/behavior.js +2 -2
  89. package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
  90. package/lib/commonjs/extensions/anvil/representation.js +3 -3
  91. package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +1 -0
  92. package/lib/commonjs/extensions/assembly-symmetry/behavior.js +3 -3
  93. package/lib/commonjs/extensions/assembly-symmetry/color.d.ts +2 -2
  94. package/lib/commonjs/extensions/assembly-symmetry/color.js +3 -3
  95. package/lib/commonjs/extensions/assembly-symmetry/prop.js +3 -3
  96. package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
  97. package/lib/commonjs/extensions/assembly-symmetry/representation.js +2 -2
  98. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +2 -2
  99. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +3 -3
  100. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  101. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +3 -3
  102. package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +2 -2
  103. package/lib/commonjs/extensions/dnatco/ntc-tube/color.js +3 -3
  104. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
  105. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.js +3 -3
  106. package/lib/commonjs/extensions/g3d/data.js +2 -3
  107. package/lib/commonjs/extensions/g3d/format.d.ts +3 -3
  108. package/lib/commonjs/extensions/g3d/model.js +5 -5
  109. package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +2 -2
  110. package/lib/commonjs/extensions/geo-export/ui.d.ts +0 -1
  111. package/lib/commonjs/extensions/meshes/examples.js +9 -9
  112. package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +3 -5
  113. package/lib/commonjs/extensions/meshes/mesh-extension.js +2 -2
  114. package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +3 -3
  115. package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +3 -3
  116. package/lib/commonjs/extensions/meshes/mesh-utils.js +9 -9
  117. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +1 -1
  118. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +11 -8
  119. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +3 -3
  120. package/lib/commonjs/extensions/model-export/export.js +2 -2
  121. package/lib/commonjs/extensions/model-export/ui.d.ts +0 -1
  122. package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -1
  123. package/lib/commonjs/extensions/mp4-export/encoder.js +2 -3
  124. package/lib/commonjs/extensions/mp4-export/ui.d.ts +0 -1
  125. package/lib/commonjs/extensions/mvs/camera.js +4 -5
  126. package/lib/commonjs/extensions/mvs/components/annotation-color-theme.js +2 -2
  127. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +32 -34
  128. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.js +2 -2
  129. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +16 -16
  130. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.js +2 -2
  131. package/lib/commonjs/extensions/mvs/components/annotation-prop.js +2 -2
  132. package/lib/commonjs/extensions/mvs/components/annotation-structure-component.js +4 -4
  133. package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +32 -32
  134. package/lib/commonjs/extensions/mvs/components/custom-label/representation.js +2 -2
  135. package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +16 -16
  136. package/lib/commonjs/extensions/mvs/components/custom-label/visual.js +2 -2
  137. package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -6
  138. package/lib/commonjs/extensions/mvs/components/formats.js +2 -2
  139. package/lib/commonjs/extensions/mvs/components/is-mvs-model-prop.js +3 -3
  140. package/lib/commonjs/extensions/mvs/components/multilayer-color-theme.js +3 -3
  141. package/lib/commonjs/extensions/mvs/components/selector.js +3 -3
  142. package/lib/commonjs/extensions/mvs/helpers/indexing.d.ts +2 -2
  143. package/lib/commonjs/extensions/mvs/helpers/label-text.js +1 -2
  144. package/lib/commonjs/extensions/mvs/helpers/param-definition.js +2 -3
  145. package/lib/commonjs/extensions/mvs/helpers/schemas.d.ts +1 -1
  146. package/lib/commonjs/extensions/mvs/helpers/schemas.js +2 -2
  147. package/lib/commonjs/extensions/mvs/helpers/selections.js +6 -7
  148. package/lib/commonjs/extensions/mvs/helpers/utils.d.ts +1 -1
  149. package/lib/commonjs/extensions/mvs/helpers/utils.js +7 -7
  150. package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
  151. package/lib/commonjs/extensions/mvs/load-helpers.js +17 -17
  152. package/lib/commonjs/extensions/mvs/load.js +1 -2
  153. package/lib/commonjs/extensions/mvs/tree/generic/params-schema.js +8 -8
  154. package/lib/commonjs/extensions/mvs/tree/generic/tree-schema.js +8 -9
  155. package/lib/commonjs/extensions/mvs/tree/generic/tree-utils.js +10 -11
  156. package/lib/commonjs/extensions/mvs/tree/molstar/conversion.js +4 -4
  157. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +0 -2
  158. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.js +3 -3
  159. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +2 -2
  160. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +2 -2
  161. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +3 -3
  162. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +2 -2
  163. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  164. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +5 -5
  165. package/lib/commonjs/extensions/sb-ncbr/index.d.ts +8 -0
  166. package/lib/commonjs/extensions/sb-ncbr/index.js +14 -1
  167. package/lib/commonjs/extensions/sb-ncbr/partial-charges/color.js +3 -3
  168. package/lib/commonjs/extensions/sb-ncbr/partial-charges/labels.js +1 -2
  169. package/lib/commonjs/extensions/sb-ncbr/partial-charges/property.js +2 -2
  170. package/lib/commonjs/extensions/sb-ncbr/tunnels/actions.d.ts +20 -0
  171. package/lib/commonjs/extensions/sb-ncbr/tunnels/actions.js +89 -0
  172. package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.d.ts +26 -0
  173. package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.js +473 -0
  174. package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.d.ts +40 -0
  175. package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.js +96 -0
  176. package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.d.ts +146 -0
  177. package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.js +28 -0
  178. package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.d.ts +12 -0
  179. package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.js +54 -0
  180. package/lib/commonjs/extensions/sb-ncbr/tunnels/props.d.ts +19 -0
  181. package/lib/commonjs/extensions/sb-ncbr/tunnels/props.js +26 -0
  182. package/lib/commonjs/extensions/sb-ncbr/tunnels/representation.d.ts +29 -0
  183. package/lib/commonjs/extensions/sb-ncbr/tunnels/representation.js +99 -0
  184. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +3 -3
  185. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.js +3 -3
  186. package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +3 -3
  187. package/lib/commonjs/extensions/volumes-and-segmentations/external-api.js +2 -3
  188. package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +3 -3
  189. package/lib/commonjs/extensions/volumes-and-segmentations/helpers.js +6 -6
  190. package/lib/commonjs/extensions/volumes-and-segmentations/ui.d.ts +0 -1
  191. package/lib/commonjs/extensions/zenodo/ui.d.ts +0 -1
  192. package/lib/commonjs/mol-canvas3d/camera/transition.d.ts +1 -1
  193. package/lib/commonjs/mol-canvas3d/camera/transition.js +23 -6
  194. package/lib/commonjs/mol-canvas3d/camera/util.js +3 -4
  195. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +26 -1
  196. package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
  197. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.d.ts +1 -6
  198. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  199. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  200. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  201. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  202. package/lib/commonjs/mol-canvas3d/passes/dof.d.ts +34 -0
  203. package/lib/commonjs/mol-canvas3d/passes/dof.js +167 -0
  204. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +2 -0
  205. package/lib/commonjs/mol-canvas3d/passes/draw.js +31 -8
  206. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +10 -0
  207. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +2 -1
  208. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +4 -3
  209. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +9 -0
  210. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -2
  211. package/lib/commonjs/mol-canvas3d/util.js +3 -4
  212. package/lib/commonjs/mol-data/db/column-helpers.js +6 -7
  213. package/lib/commonjs/mol-data/db/column.d.ts +1 -1
  214. package/lib/commonjs/mol-data/generic/hash-set.js +1 -2
  215. package/lib/commonjs/mol-data/generic/linked-list.js +1 -2
  216. package/lib/commonjs/mol-data/int/impl/interval.js +15 -15
  217. package/lib/commonjs/mol-data/int/impl/ordered-set.js +25 -25
  218. package/lib/commonjs/mol-data/int/impl/segmentation.js +7 -7
  219. package/lib/commonjs/mol-data/int/impl/sorted-array.js +31 -31
  220. package/lib/commonjs/mol-data/int/linked-index.js +1 -2
  221. package/lib/commonjs/mol-data/util/array.js +5 -6
  222. package/lib/commonjs/mol-data/util/buckets.js +1 -2
  223. package/lib/commonjs/mol-data/util/combination.js +2 -2
  224. package/lib/commonjs/mol-data/util/equivalence-classes.js +2 -2
  225. package/lib/commonjs/mol-data/util/grouping.js +2 -3
  226. package/lib/commonjs/mol-data/util/hash-functions.js +9 -10
  227. package/lib/commonjs/mol-data/util/sort.js +5 -6
  228. package/lib/commonjs/mol-geo/geometry/base.d.ts +1 -1
  229. package/lib/commonjs/mol-geo/geometry/base.js +3 -3
  230. package/lib/commonjs/mol-geo/geometry/clipping-data.js +4 -5
  231. package/lib/commonjs/mol-geo/geometry/color-data.js +4 -5
  232. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -0
  233. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -0
  234. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -0
  235. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -0
  236. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +3 -4
  237. package/lib/commonjs/mol-geo/geometry/emissive-data.js +5 -6
  238. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +1 -1
  239. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  240. package/lib/commonjs/mol-geo/geometry/marker-data.js +3 -4
  241. package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +1 -2
  242. package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +2 -3
  243. package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +4 -5
  244. package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +1 -2
  245. package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +1 -2
  246. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +1 -2
  247. package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +2 -3
  248. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +1 -2
  249. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +7 -8
  250. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -0
  251. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -0
  252. package/lib/commonjs/mol-geo/geometry/overpaint-data.js +4 -5
  253. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  254. package/lib/commonjs/mol-geo/geometry/size-data.js +9 -9
  255. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
  256. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -0
  257. package/lib/commonjs/mol-geo/geometry/substance-data.js +4 -5
  258. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +3 -3
  259. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +7 -7
  260. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -0
  261. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -0
  262. package/lib/commonjs/mol-geo/geometry/transform-data.js +4 -5
  263. package/lib/commonjs/mol-geo/geometry/transparency-data.js +5 -6
  264. package/lib/commonjs/mol-geo/primitive/box.js +3 -4
  265. package/lib/commonjs/mol-geo/primitive/cage.js +3 -4
  266. package/lib/commonjs/mol-geo/primitive/circle.js +2 -2
  267. package/lib/commonjs/mol-geo/primitive/cylinder.js +2 -2
  268. package/lib/commonjs/mol-geo/primitive/dodecahedron.js +3 -3
  269. package/lib/commonjs/mol-geo/primitive/icosahedron.js +2 -3
  270. package/lib/commonjs/mol-geo/primitive/octahedron.js +4 -4
  271. package/lib/commonjs/mol-geo/primitive/plane.js +2 -3
  272. package/lib/commonjs/mol-geo/primitive/polygon.js +1 -2
  273. package/lib/commonjs/mol-geo/primitive/polyhedron.js +2 -2
  274. package/lib/commonjs/mol-geo/primitive/primitive.js +4 -5
  275. package/lib/commonjs/mol-geo/primitive/prism.js +11 -11
  276. package/lib/commonjs/mol-geo/primitive/pyramid.js +6 -7
  277. package/lib/commonjs/mol-geo/primitive/sphere.js +2 -3
  278. package/lib/commonjs/mol-geo/primitive/spiked-ball.js +1 -2
  279. package/lib/commonjs/mol-geo/primitive/star.js +2 -2
  280. package/lib/commonjs/mol-geo/primitive/tetrahedron.js +3 -3
  281. package/lib/commonjs/mol-geo/primitive/torus.js +2 -2
  282. package/lib/commonjs/mol-geo/primitive/wedge.js +3 -4
  283. package/lib/commonjs/mol-geo/util/location-iterator.js +3 -4
  284. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +2 -3
  285. package/lib/commonjs/mol-geo/util/marching-cubes/builder.js +2 -3
  286. package/lib/commonjs/mol-geo/util/marching-cubes/tables.js +3 -3
  287. package/lib/commonjs/mol-geo/util.js +7 -8
  288. package/lib/commonjs/mol-gl/compute/grid3d.js +2 -3
  289. package/lib/commonjs/mol-gl/compute/hi-z.js +1 -2
  290. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +1 -2
  291. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +1 -2
  292. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +1 -2
  293. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +2 -3
  294. package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +2 -3
  295. package/lib/commonjs/mol-gl/compute/util.js +5 -5
  296. package/lib/commonjs/mol-gl/render-object.js +3 -3
  297. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +1 -0
  298. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -2
  299. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +1 -0
  300. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -2
  301. package/lib/commonjs/mol-gl/renderable/image.js +2 -2
  302. package/lib/commonjs/mol-gl/renderable/lines.js +2 -2
  303. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +1 -0
  304. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -2
  305. package/lib/commonjs/mol-gl/renderable/points.js +2 -2
  306. package/lib/commonjs/mol-gl/renderable/schema.d.ts +1 -0
  307. package/lib/commonjs/mol-gl/renderable/schema.js +10 -9
  308. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +1 -0
  309. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -2
  310. package/lib/commonjs/mol-gl/renderable/text.js +2 -2
  311. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +1 -0
  312. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -2
  313. package/lib/commonjs/mol-gl/renderable/util.js +7 -8
  314. package/lib/commonjs/mol-gl/renderable.js +2 -3
  315. package/lib/commonjs/mol-gl/renderer.d.ts +1 -0
  316. package/lib/commonjs/mol-gl/renderer.js +6 -0
  317. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -1
  318. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +57 -24
  319. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  320. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -0
  321. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
  322. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +6 -0
  323. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +2 -1
  324. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +11 -2
  325. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  326. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -0
  327. package/lib/commonjs/mol-gl/shader/dof.frag.d.ts +7 -0
  328. package/lib/commonjs/mol-gl/shader/dof.frag.js +122 -0
  329. package/lib/commonjs/mol-gl/shader/ssao-blur.frag.d.ts +1 -1
  330. package/lib/commonjs/mol-gl/shader/ssao-blur.frag.js +9 -6
  331. package/lib/commonjs/mol-gl/shader-code.js +4 -4
  332. package/lib/commonjs/mol-gl/webgl/buffer.js +8 -9
  333. package/lib/commonjs/mol-gl/webgl/compat.js +32 -33
  334. package/lib/commonjs/mol-gl/webgl/context.js +7 -7
  335. package/lib/commonjs/mol-gl/webgl/extensions.js +1 -2
  336. package/lib/commonjs/mol-gl/webgl/framebuffer.js +3 -4
  337. package/lib/commonjs/mol-gl/webgl/program.js +2 -3
  338. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +2 -2
  339. package/lib/commonjs/mol-gl/webgl/render-item.js +5 -5
  340. package/lib/commonjs/mol-gl/webgl/render-target.js +2 -3
  341. package/lib/commonjs/mol-gl/webgl/renderbuffer.js +3 -4
  342. package/lib/commonjs/mol-gl/webgl/resources.js +1 -2
  343. package/lib/commonjs/mol-gl/webgl/shader.js +2 -3
  344. package/lib/commonjs/mol-gl/webgl/state.js +1 -2
  345. package/lib/commonjs/mol-gl/webgl/texture.js +13 -14
  346. package/lib/commonjs/mol-gl/webgl/timer.d.ts +1 -1
  347. package/lib/commonjs/mol-gl/webgl/timer.js +10 -4
  348. package/lib/commonjs/mol-gl/webgl/uniform.js +6 -7
  349. package/lib/commonjs/mol-gl/webgl/vertex-array.js +1 -2
  350. package/lib/commonjs/mol-io/common/ascii.js +1 -2
  351. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +2 -3
  352. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +1 -2
  353. package/lib/commonjs/mol-io/common/binary.js +3 -3
  354. package/lib/commonjs/mol-io/common/msgpack/decode.js +1 -2
  355. package/lib/commonjs/mol-io/common/msgpack/encode.js +1 -2
  356. package/lib/commonjs/mol-io/common/simple-buffer.d.ts +0 -1
  357. package/lib/commonjs/mol-io/common/typed-array.js +6 -6
  358. package/lib/commonjs/mol-io/common/utf8.js +3 -4
  359. package/lib/commonjs/mol-io/reader/ccp4/parser.js +6 -7
  360. package/lib/commonjs/mol-io/reader/cif/binary/field.js +1 -2
  361. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -2
  362. package/lib/commonjs/mol-io/reader/cif/data-model.js +8 -8
  363. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  364. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
  365. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  366. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
  367. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +9 -1
  368. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +9 -1
  369. package/lib/commonjs/mol-io/reader/cif/schema.js +4 -4
  370. package/lib/commonjs/mol-io/reader/cif/text/parser.js +1 -2
  371. package/lib/commonjs/mol-io/reader/common/text/column/fixed.d.ts +1 -1
  372. package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +2 -3
  373. package/lib/commonjs/mol-io/reader/common/text/column/token.d.ts +1 -1
  374. package/lib/commonjs/mol-io/reader/common/text/column/token.js +4 -5
  375. package/lib/commonjs/mol-io/reader/common/text/number-parser.js +6 -6
  376. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +3 -3
  377. package/lib/commonjs/mol-io/reader/csv/data-model.js +3 -3
  378. package/lib/commonjs/mol-io/reader/csv/parser.js +1 -2
  379. package/lib/commonjs/mol-io/reader/cube/parser.js +1 -2
  380. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -3
  381. package/lib/commonjs/mol-io/reader/dsn6/parser.js +6 -6
  382. package/lib/commonjs/mol-io/reader/dx/parser.js +1 -2
  383. package/lib/commonjs/mol-io/reader/gro/parser.js +1 -2
  384. package/lib/commonjs/mol-io/reader/mol/parser.js +6 -7
  385. package/lib/commonjs/mol-io/reader/mol2/parser.js +1 -2
  386. package/lib/commonjs/mol-io/reader/nctraj/parser.js +1 -2
  387. package/lib/commonjs/mol-io/reader/obj/parser.js +1 -2
  388. package/lib/commonjs/mol-io/reader/pdb/parser.js +1 -2
  389. package/lib/commonjs/mol-io/reader/ply/parser.js +1 -2
  390. package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
  391. package/lib/commonjs/mol-io/reader/ply/schema.js +3 -3
  392. package/lib/commonjs/mol-io/reader/prmtop/parser.js +1 -2
  393. package/lib/commonjs/mol-io/reader/psf/parser.js +1 -2
  394. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +4 -5
  395. package/lib/commonjs/mol-io/reader/sdf/parser.js +1 -2
  396. package/lib/commonjs/mol-io/reader/top/parser.js +1 -2
  397. package/lib/commonjs/mol-io/reader/trr/parser.js +1 -2
  398. package/lib/commonjs/mol-io/reader/xtc/parser.js +1 -2
  399. package/lib/commonjs/mol-io/reader/xyz/parser.js +1 -2
  400. package/lib/commonjs/mol-io/writer/cif/encoder/util.js +3 -4
  401. package/lib/commonjs/mol-math/approx.js +24 -25
  402. package/lib/commonjs/mol-math/easing.js +18 -19
  403. package/lib/commonjs/mol-math/geometry/boundary.js +2 -3
  404. package/lib/commonjs/mol-math/geometry/common.js +2 -3
  405. package/lib/commonjs/mol-math/geometry/distance-transform.js +1 -2
  406. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +1 -2
  407. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +4 -5
  408. package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
  409. package/lib/commonjs/mol-math/geometry/instance-grid.js +2 -3
  410. package/lib/commonjs/mol-math/geometry/lookup3d/grid.js +1 -2
  411. package/lib/commonjs/mol-math/geometry/molecular-surface.js +2 -2
  412. package/lib/commonjs/mol-math/geometry/polygon.js +1 -2
  413. package/lib/commonjs/mol-math/geometry/primitives/axes3d.js +1 -2
  414. package/lib/commonjs/mol-math/geometry/primitives/box3d.js +1 -2
  415. package/lib/commonjs/mol-math/geometry/primitives/frustum3d.js +1 -2
  416. package/lib/commonjs/mol-math/geometry/primitives/plane3d.js +1 -2
  417. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +1 -2
  418. package/lib/commonjs/mol-math/geometry/spacegroup/cell.js +1 -2
  419. package/lib/commonjs/mol-math/geometry/spacegroup/tables.js +4 -4
  420. package/lib/commonjs/mol-math/histogram.js +1 -2
  421. package/lib/commonjs/mol-math/interpolate.js +12 -13
  422. package/lib/commonjs/mol-math/linear-algebra/3d/common.js +2 -2
  423. package/lib/commonjs/mol-math/linear-algebra/3d/euler.js +1 -2
  424. package/lib/commonjs/mol-math/linear-algebra/3d/mat3.js +1 -2
  425. package/lib/commonjs/mol-math/linear-algebra/3d/mat4.js +1 -2
  426. package/lib/commonjs/mol-math/linear-algebra/3d/minimize-rmsd.js +2 -1
  427. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +1 -2
  428. package/lib/commonjs/mol-math/linear-algebra/3d/vec2.js +1 -2
  429. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +1 -2
  430. package/lib/commonjs/mol-math/linear-algebra/3d/vec4.js +1 -2
  431. package/lib/commonjs/mol-math/linear-algebra/matrix/svd.js +4 -5
  432. package/lib/commonjs/mol-math/misc.js +7 -7
  433. package/lib/commonjs/mol-model/custom-property.js +2 -2
  434. package/lib/commonjs/mol-model/location.js +4 -4
  435. package/lib/commonjs/mol-model/loci.d.ts +1 -1
  436. package/lib/commonjs/mol-model/loci.js +7 -7
  437. package/lib/commonjs/mol-model/sequence/alignment/alignment.d.ts +2 -1
  438. package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -2
  439. package/lib/commonjs/mol-model/sequence/alignment/sequence.js +3 -3
  440. package/lib/commonjs/mol-model/sequence/constants.js +3 -4
  441. package/lib/commonjs/mol-model/structure/coordinates/coordinates.js +2 -2
  442. package/lib/commonjs/mol-model/structure/export/categories/atom_site.js +5 -5
  443. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +2 -2
  444. package/lib/commonjs/mol-model/structure/export/categories/utils.js +6 -7
  445. package/lib/commonjs/mol-model/structure/export/mmcif.js +3 -3
  446. package/lib/commonjs/mol-model/structure/model/properties/atomic/bonds.js +2 -3
  447. package/lib/commonjs/mol-model/structure/model/properties/atomic/measures.js +4 -4
  448. package/lib/commonjs/mol-model/structure/model/properties/atomic/types.js +14 -14
  449. package/lib/commonjs/mol-model/structure/model/properties/secondary-structure.js +1 -2
  450. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js +1 -2
  451. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js +1 -2
  452. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -2
  453. package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-keys.js +1 -2
  454. package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-ranges.js +1 -2
  455. package/lib/commonjs/mol-model/structure/model/types/saccharides.js +1 -1
  456. package/lib/commonjs/mol-model/structure/model/types.d.ts +3 -3
  457. package/lib/commonjs/mol-model/structure/model/types.js +12 -12
  458. package/lib/commonjs/mol-model/structure/model/util.js +2 -3
  459. package/lib/commonjs/mol-model/structure/query/queries/atom-set.js +3 -4
  460. package/lib/commonjs/mol-model/structure/query/queries/combinators.js +2 -3
  461. package/lib/commonjs/mol-model/structure/query/queries/filters.js +7 -8
  462. package/lib/commonjs/mol-model/structure/query/queries/generators.js +9 -9
  463. package/lib/commonjs/mol-model/structure/query/queries/internal.js +7 -8
  464. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +9 -10
  465. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +2 -3
  466. package/lib/commonjs/mol-model/structure/query/utils/structure-set.js +5 -6
  467. package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -2
  468. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +4 -4
  469. package/lib/commonjs/mol-model/structure/structure/element/loci.js +1 -2
  470. package/lib/commonjs/mol-model/structure/structure/element/util.js +6 -7
  471. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -0
  472. package/lib/commonjs/mol-model/structure/structure/properties.js +1 -0
  473. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +6 -6
  474. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +1 -2
  475. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -2
  476. package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +1 -2
  477. package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +3 -4
  478. package/lib/commonjs/mol-model/structure/structure/util/boundary.js +1 -2
  479. package/lib/commonjs/mol-model/structure/structure/util/lookup3d.js +2 -2
  480. package/lib/commonjs/mol-model/structure/structure/util/polymer.js +6 -7
  481. package/lib/commonjs/mol-model/structure/structure/util/principal-axes.js +2 -3
  482. package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -2
  483. package/lib/commonjs/mol-model/structure/structure/util/superposition.js +3 -4
  484. package/lib/commonjs/mol-model/structure/util.js +5 -6
  485. package/lib/commonjs/mol-model/volume/volume.d.ts +6 -6
  486. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +2 -0
  487. package/lib/commonjs/mol-model-formats/shape/ply.js +2 -2
  488. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +1 -2
  489. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +2 -2
  490. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +2 -3
  491. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +1 -2
  492. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +4 -5
  493. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +1 -0
  494. package/lib/commonjs/mol-model-formats/structure/basic/schema.js +2 -2
  495. package/lib/commonjs/mol-model-formats/structure/basic/sequence.js +1 -2
  496. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +1 -2
  497. package/lib/commonjs/mol-model-formats/structure/basic/util.js +2 -3
  498. package/lib/commonjs/mol-model-formats/structure/cif-core.js +2 -2
  499. package/lib/commonjs/mol-model-formats/structure/common/entity.d.ts +1 -0
  500. package/lib/commonjs/mol-model-formats/structure/cube.js +1 -2
  501. package/lib/commonjs/mol-model-formats/structure/dcd.js +1 -2
  502. package/lib/commonjs/mol-model-formats/structure/gro.js +2 -2
  503. package/lib/commonjs/mol-model-formats/structure/mmcif.js +3 -3
  504. package/lib/commonjs/mol-model-formats/structure/mol.js +3 -3
  505. package/lib/commonjs/mol-model-formats/structure/mol2.js +2 -2
  506. package/lib/commonjs/mol-model-formats/structure/nctraj.js +1 -2
  507. package/lib/commonjs/mol-model-formats/structure/pdb/anisotropic.js +3 -4
  508. package/lib/commonjs/mol-model-formats/structure/pdb/assembly.js +3 -4
  509. package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js +3 -4
  510. package/lib/commonjs/mol-model-formats/structure/pdb/conect.js +1 -2
  511. package/lib/commonjs/mol-model-formats/structure/pdb/entity.js +2 -3
  512. package/lib/commonjs/mol-model-formats/structure/pdb/header.js +1 -2
  513. package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js +2 -3
  514. package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +1 -2
  515. package/lib/commonjs/mol-model-formats/structure/pdb.js +2 -2
  516. package/lib/commonjs/mol-model-formats/structure/prmtop.js +2 -2
  517. package/lib/commonjs/mol-model-formats/structure/property/assembly.js +3 -4
  518. package/lib/commonjs/mol-model-formats/structure/psf.js +2 -2
  519. package/lib/commonjs/mol-model-formats/structure/sdf.js +2 -2
  520. package/lib/commonjs/mol-model-formats/structure/top.js +2 -2
  521. package/lib/commonjs/mol-model-formats/structure/trr.js +1 -2
  522. package/lib/commonjs/mol-model-formats/structure/util.js +2 -3
  523. package/lib/commonjs/mol-model-formats/structure/xtc.js +1 -2
  524. package/lib/commonjs/mol-model-formats/structure/xyz.js +2 -2
  525. package/lib/commonjs/mol-model-formats/volume/ccp4.js +3 -3
  526. package/lib/commonjs/mol-model-formats/volume/cube.js +2 -2
  527. package/lib/commonjs/mol-model-formats/volume/density-server.js +2 -2
  528. package/lib/commonjs/mol-model-formats/volume/dsn6.js +2 -2
  529. package/lib/commonjs/mol-model-formats/volume/dx.js +2 -2
  530. package/lib/commonjs/mol-model-formats/volume/segmentation.js +2 -2
  531. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +1 -2
  532. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +1 -2
  533. package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +16 -17
  534. package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +5 -5
  535. package/lib/commonjs/mol-model-props/computed/chemistry/util.js +16 -17
  536. package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +4 -4
  537. package/lib/commonjs/mol-model-props/computed/helix-orientation/helix-orientation.js +1 -2
  538. package/lib/commonjs/mol-model-props/computed/interactions/common.js +4 -4
  539. package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +3 -3
  540. package/lib/commonjs/mol-model-props/computed/interactions/interactions.js +2 -2
  541. package/lib/commonjs/mol-model-props/computed/interactions/refine.js +1 -2
  542. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
  543. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  544. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
  545. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  546. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -0
  547. package/lib/commonjs/mol-model-props/computed/representations/interactions.js +3 -3
  548. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/backbone-hbonds.js +1 -2
  549. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -2
  550. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +1 -2
  551. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/dihedral-angles.js +1 -2
  552. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +1 -2
  553. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +1 -2
  554. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/protein-info.js +1 -2
  555. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +1 -2
  556. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/trace-lookup.js +1 -2
  557. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +1 -2
  558. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +2 -2
  559. package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +3 -3
  560. package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +3 -3
  561. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +3 -3
  562. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
  563. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.js +4 -4
  564. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.d.ts +2 -2
  565. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +3 -3
  566. package/lib/commonjs/mol-plugin/animation-loop.d.ts +1 -0
  567. package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +9 -9
  568. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +9 -9
  569. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +3 -3
  570. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +3 -3
  571. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +8 -9
  572. package/lib/commonjs/mol-plugin/behavior/static/camera.js +6 -7
  573. package/lib/commonjs/mol-plugin/behavior/static/misc.js +2 -3
  574. package/lib/commonjs/mol-plugin/behavior/static/representation.js +4 -5
  575. package/lib/commonjs/mol-plugin/behavior/static/state.js +12 -13
  576. package/lib/commonjs/mol-plugin/command.js +2 -2
  577. package/lib/commonjs/mol-plugin/commands.d.ts +23 -87
  578. package/lib/commonjs/mol-plugin/context.d.ts +3 -2
  579. package/lib/commonjs/mol-plugin/context.js +4 -2
  580. package/lib/commonjs/mol-plugin/state.d.ts +7 -7
  581. package/lib/commonjs/mol-plugin/util/headless-screenshot.d.ts +1 -1
  582. package/lib/commonjs/mol-plugin/util/headless-screenshot.js +7 -5
  583. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +1 -1
  584. package/lib/commonjs/mol-plugin/util/viewport-screenshot.js +2 -1
  585. package/lib/commonjs/mol-plugin-state/actions/volume.d.ts +1 -1
  586. package/lib/commonjs/mol-plugin-state/actions/volume.js +4 -12
  587. package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
  588. package/lib/commonjs/mol-plugin-state/animation/built-in/state-snapshots.js +7 -3
  589. package/lib/commonjs/mol-plugin-state/animation/helpers.js +5 -5
  590. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.js +2 -2
  591. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +4 -4
  592. package/lib/commonjs/mol-plugin-state/formats/provider.js +2 -3
  593. package/lib/commonjs/mol-plugin-state/formats/registry.d.ts +1 -1
  594. package/lib/commonjs/mol-plugin-state/formats/trajectory.d.ts +9 -9
  595. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +0 -1
  596. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +1 -2
  597. package/lib/commonjs/mol-plugin-state/helpers/structure-component.js +3 -3
  598. package/lib/commonjs/mol-plugin-state/helpers/structure-emissive.js +2 -3
  599. package/lib/commonjs/mol-plugin-state/helpers/structure-overpaint.js +2 -3
  600. package/lib/commonjs/mol-plugin-state/helpers/structure-representation-params.js +4 -5
  601. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +9 -9
  602. package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +2 -3
  603. package/lib/commonjs/mol-plugin-state/helpers/structure-transparency.js +2 -3
  604. package/lib/commonjs/mol-plugin-state/helpers/volume-representation-params.js +4 -5
  605. package/lib/commonjs/mol-plugin-state/manager/focus-camera/focus-first-residue.js +2 -3
  606. package/lib/commonjs/mol-plugin-state/manager/focus-camera/orient-axes.js +4 -4
  607. package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy-state.js +2 -3
  608. package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy.d.ts +3 -3
  609. package/lib/commonjs/mol-plugin-state/manager/structure/measurement.d.ts +4 -0
  610. package/lib/commonjs/mol-plugin-state/manager/volume/hierarchy-state.js +2 -3
  611. package/lib/commonjs/mol-plugin-state/objects.d.ts +97 -97
  612. package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +10 -1
  613. package/lib/commonjs/mol-plugin-state/transforms/data.js +31 -2
  614. package/lib/commonjs/mol-plugin-state/transforms/helpers.js +6 -7
  615. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +6 -0
  616. package/lib/commonjs/mol-plugin-state/transforms/shape.js +2 -2
  617. package/lib/commonjs/mol-plugin-ui/base.js +2 -1
  618. package/lib/commonjs/mol-plugin-ui/controls/color.js +3 -3
  619. package/lib/commonjs/mol-plugin-ui/controls/common.js +5 -5
  620. package/lib/commonjs/mol-plugin-ui/controls/icons.d.ts +5 -0
  621. package/lib/commonjs/mol-plugin-ui/controls/icons.js +87 -73
  622. package/lib/commonjs/mol-plugin-ui/controls/legend.js +2 -2
  623. package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +3 -3
  624. package/lib/commonjs/mol-plugin-ui/controls/parameters.js +2 -2
  625. package/lib/commonjs/mol-plugin-ui/controls.js +3 -3
  626. package/lib/commonjs/mol-plugin-ui/hooks/use-behavior.js +1 -2
  627. package/lib/commonjs/mol-plugin-ui/index.js +1 -2
  628. package/lib/commonjs/mol-plugin-ui/left-panel.d.ts +0 -1
  629. package/lib/commonjs/mol-plugin-ui/plugin.js +5 -4
  630. package/lib/commonjs/mol-plugin-ui/react18.js +1 -2
  631. package/lib/commonjs/mol-plugin-ui/sequence.js +8 -8
  632. package/lib/commonjs/mol-plugin-ui/spec.d.ts +10 -10
  633. package/lib/commonjs/mol-plugin-ui/spec.js +1 -1
  634. package/lib/commonjs/mol-plugin-ui/state/apply-action.d.ts +1 -1
  635. package/lib/commonjs/mol-plugin-ui/state/update-transform.d.ts +1 -1
  636. package/lib/commonjs/mol-plugin-ui/structure/quick-styles.d.ts +2 -1
  637. package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +5 -2
  638. package/lib/commonjs/mol-plugin-ui/structure/selection.d.ts +2 -2
  639. package/lib/commonjs/mol-plugin-ui/task.js +2 -3
  640. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +3 -0
  641. package/lib/commonjs/mol-repr/representation.d.ts +3 -3
  642. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +1 -0
  643. package/lib/commonjs/mol-repr/shape/loci/angle.js +2 -2
  644. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +1 -0
  645. package/lib/commonjs/mol-repr/shape/loci/dihedral.js +2 -2
  646. package/lib/commonjs/mol-repr/shape/loci/distance.js +2 -2
  647. package/lib/commonjs/mol-repr/shape/loci/label.js +2 -2
  648. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -0
  649. package/lib/commonjs/mol-repr/shape/loci/orientation.js +2 -2
  650. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -0
  651. package/lib/commonjs/mol-repr/shape/loci/plane.js +2 -2
  652. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -0
  653. package/lib/commonjs/mol-repr/shape/model/unitcell.js +3 -3
  654. package/lib/commonjs/mol-repr/shape/representation.js +1 -2
  655. package/lib/commonjs/mol-repr/structure/complex-representation.js +1 -2
  656. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +5 -0
  657. package/lib/commonjs/mol-repr/structure/complex-visual.js +9 -9
  658. package/lib/commonjs/mol-repr/structure/params.d.ts +5 -0
  659. package/lib/commonjs/mol-repr/structure/params.js +2 -2
  660. package/lib/commonjs/mol-repr/structure/registry.d.ts +11 -0
  661. package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -0
  662. package/lib/commonjs/mol-repr/structure/representation/backbone.js +3 -3
  663. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  664. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.js +3 -3
  665. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
  666. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.js +3 -3
  667. package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -0
  668. package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -3
  669. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  670. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.js +3 -3
  671. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
  672. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +3 -3
  673. package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +3 -0
  674. package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +3 -3
  675. package/lib/commonjs/mol-repr/structure/representation/label.js +3 -3
  676. package/lib/commonjs/mol-repr/structure/representation/line.js +3 -3
  677. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
  678. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +3 -3
  679. package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -0
  680. package/lib/commonjs/mol-repr/structure/representation/orientation.js +3 -3
  681. package/lib/commonjs/mol-repr/structure/representation/point.js +3 -3
  682. package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -0
  683. package/lib/commonjs/mol-repr/structure/representation/putty.js +3 -3
  684. package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -0
  685. package/lib/commonjs/mol-repr/structure/representation/spacefill.js +3 -3
  686. package/lib/commonjs/mol-repr/structure/representation.js +2 -2
  687. package/lib/commonjs/mol-repr/structure/units-representation.js +1 -2
  688. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +5 -0
  689. package/lib/commonjs/mol-repr/structure/units-visual.js +10 -10
  690. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  691. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +4 -4
  692. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +2 -2
  693. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  694. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +4 -4
  695. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +2 -2
  696. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
  697. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js +2 -2
  698. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
  699. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +2 -2
  700. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
  701. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +2 -2
  702. package/lib/commonjs/mol-repr/structure/visual/element-cross.js +3 -3
  703. package/lib/commonjs/mol-repr/structure/visual/element-point.js +3 -3
  704. package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +4 -0
  705. package/lib/commonjs/mol-repr/structure/visual/element-sphere.js +7 -7
  706. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
  707. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.js +3 -3
  708. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -0
  709. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +3 -3
  710. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
  711. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +7 -7
  712. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +2 -2
  713. package/lib/commonjs/mol-repr/structure/visual/label-text.js +2 -2
  714. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
  715. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +3 -3
  716. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +2 -2
  717. package/lib/commonjs/mol-repr/structure/visual/nucleotide-atomic-bond.d.ts +2 -0
  718. package/lib/commonjs/mol-repr/structure/visual/nucleotide-atomic-bond.js +4 -4
  719. package/lib/commonjs/mol-repr/structure/visual/nucleotide-atomic-element.d.ts +2 -0
  720. package/lib/commonjs/mol-repr/structure/visual/nucleotide-atomic-element.js +4 -4
  721. package/lib/commonjs/mol-repr/structure/visual/nucleotide-atomic-ring-fill.d.ts +1 -0
  722. package/lib/commonjs/mol-repr/structure/visual/nucleotide-atomic-ring-fill.js +2 -2
  723. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
  724. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.js +2 -2
  725. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
  726. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.js +2 -2
  727. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
  728. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +3 -3
  729. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
  730. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.js +4 -4
  731. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
  732. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.js +4 -4
  733. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
  734. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +2 -2
  735. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
  736. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.js +2 -2
  737. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
  738. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  739. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
  740. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js +2 -2
  741. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +8 -8
  742. package/lib/commonjs/mol-repr/structure/visual/util/common.js +14 -14
  743. package/lib/commonjs/mol-repr/structure/visual/util/element.js +10 -10
  744. package/lib/commonjs/mol-repr/structure/visual/util/gaussian.js +8 -8
  745. package/lib/commonjs/mol-repr/structure/visual/util/link.js +5 -5
  746. package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.js +2 -3
  747. package/lib/commonjs/mol-repr/structure/visual/util/nucleotide.d.ts +60 -60
  748. package/lib/commonjs/mol-repr/structure/visual/util/nucleotide.js +11 -11
  749. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +3 -4
  750. package/lib/commonjs/mol-repr/structure/visual/util/polymer/curve-segment.js +5 -6
  751. package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +2 -2
  752. package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +2 -2
  753. package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +8 -8
  754. package/lib/commonjs/mol-repr/util.js +3 -3
  755. package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +48 -45
  756. package/lib/commonjs/mol-repr/volume/direct-volume.js +9 -9
  757. package/lib/commonjs/mol-repr/volume/isosurface.d.ts +95 -90
  758. package/lib/commonjs/mol-repr/volume/isosurface.js +10 -10
  759. package/lib/commonjs/mol-repr/volume/registry.d.ts +63 -60
  760. package/lib/commonjs/mol-repr/volume/representation.js +4 -4
  761. package/lib/commonjs/mol-repr/volume/segment.d.ts +80 -75
  762. package/lib/commonjs/mol-repr/volume/segment.js +8 -8
  763. package/lib/commonjs/mol-repr/volume/slice.d.ts +45 -45
  764. package/lib/commonjs/mol-repr/volume/slice.js +5 -5
  765. package/lib/commonjs/mol-repr/volume/util.js +5 -6
  766. package/lib/commonjs/mol-script/language/expression-formatter.js +1 -2
  767. package/lib/commonjs/mol-script/language/helpers.js +3 -4
  768. package/lib/commonjs/mol-script/language/parser.js +1 -2
  769. package/lib/commonjs/mol-script/language/symbol-table/core.d.ts +1 -1
  770. package/lib/commonjs/mol-script/language/symbol.js +5 -5
  771. package/lib/commonjs/mol-script/runtime/query/base.js +2 -2
  772. package/lib/commonjs/mol-script/script/mol-script/script-macro.js +4 -5
  773. package/lib/commonjs/mol-script/script/mol-script/symbols.js +3 -3
  774. package/lib/commonjs/mol-script/script.js +1 -2
  775. package/lib/commonjs/mol-script/transpile.js +1 -2
  776. package/lib/commonjs/mol-script/transpilers/helper.js +28 -28
  777. package/lib/commonjs/mol-script/transpilers/jmol/properties.js +2 -2
  778. package/lib/commonjs/mol-script/transpilers/vmd/properties.js +2 -2
  779. package/lib/commonjs/mol-script/util/id-list.js +1 -2
  780. package/lib/commonjs/mol-state/object.d.ts +4 -4
  781. package/lib/commonjs/mol-state/state.d.ts +4 -4
  782. package/lib/commonjs/mol-state/transform.d.ts +1 -1
  783. package/lib/commonjs/mol-state/transformer.d.ts +1 -1
  784. package/lib/commonjs/mol-task/execution/observable.js +4 -5
  785. package/lib/commonjs/mol-task/util/chunked.js +1 -2
  786. package/lib/commonjs/mol-task/util/multistep.js +1 -2
  787. package/lib/commonjs/mol-task/util/scheduler.d.ts +0 -1
  788. package/lib/commonjs/mol-theme/clipping.js +1 -2
  789. package/lib/commonjs/mol-theme/color/atom-id.d.ts +2 -2
  790. package/lib/commonjs/mol-theme/color/atom-id.js +3 -3
  791. package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +3 -3
  792. package/lib/commonjs/mol-theme/color/cartoon.js +3 -3
  793. package/lib/commonjs/mol-theme/color/chain-id.d.ts +2 -2
  794. package/lib/commonjs/mol-theme/color/chain-id.js +3 -3
  795. package/lib/commonjs/mol-theme/color/element-index.d.ts +2 -2
  796. package/lib/commonjs/mol-theme/color/element-index.js +3 -3
  797. package/lib/commonjs/mol-theme/color/element-symbol.js +4 -4
  798. package/lib/commonjs/mol-theme/color/entity-id.d.ts +2 -2
  799. package/lib/commonjs/mol-theme/color/entity-id.js +3 -3
  800. package/lib/commonjs/mol-theme/color/entity-source.d.ts +2 -2
  801. package/lib/commonjs/mol-theme/color/entity-source.js +3 -3
  802. package/lib/commonjs/mol-theme/color/external-volume.d.ts +2 -2
  803. package/lib/commonjs/mol-theme/color/external-volume.js +2 -2
  804. package/lib/commonjs/mol-theme/color/hydrophobicity.js +4 -4
  805. package/lib/commonjs/mol-theme/color/illustrative.js +3 -3
  806. package/lib/commonjs/mol-theme/color/model-index.d.ts +2 -2
  807. package/lib/commonjs/mol-theme/color/model-index.js +3 -3
  808. package/lib/commonjs/mol-theme/color/molecule-type.js +4 -4
  809. package/lib/commonjs/mol-theme/color/occupancy.js +4 -4
  810. package/lib/commonjs/mol-theme/color/operator-hkl.d.ts +2 -2
  811. package/lib/commonjs/mol-theme/color/operator-hkl.js +3 -3
  812. package/lib/commonjs/mol-theme/color/operator-name.d.ts +2 -2
  813. package/lib/commonjs/mol-theme/color/operator-name.js +3 -3
  814. package/lib/commonjs/mol-theme/color/partial-charge.js +3 -3
  815. package/lib/commonjs/mol-theme/color/polymer-id.d.ts +2 -2
  816. package/lib/commonjs/mol-theme/color/polymer-id.js +3 -3
  817. package/lib/commonjs/mol-theme/color/polymer-index.d.ts +2 -2
  818. package/lib/commonjs/mol-theme/color/polymer-index.js +3 -3
  819. package/lib/commonjs/mol-theme/color/residue-name.js +4 -4
  820. package/lib/commonjs/mol-theme/color/secondary-structure.js +4 -4
  821. package/lib/commonjs/mol-theme/color/sequence-id.js +3 -3
  822. package/lib/commonjs/mol-theme/color/shape-group.js +3 -3
  823. package/lib/commonjs/mol-theme/color/structure-index.d.ts +2 -2
  824. package/lib/commonjs/mol-theme/color/structure-index.js +3 -3
  825. package/lib/commonjs/mol-theme/color/trajectory-index.d.ts +2 -2
  826. package/lib/commonjs/mol-theme/color/trajectory-index.js +3 -3
  827. package/lib/commonjs/mol-theme/color/uncertainty.js +4 -4
  828. package/lib/commonjs/mol-theme/color/uniform.js +3 -3
  829. package/lib/commonjs/mol-theme/color/unit-index.d.ts +2 -2
  830. package/lib/commonjs/mol-theme/color/unit-index.js +3 -3
  831. package/lib/commonjs/mol-theme/color/volume-segment.d.ts +2 -2
  832. package/lib/commonjs/mol-theme/color/volume-segment.js +3 -3
  833. package/lib/commonjs/mol-theme/color/volume-value.js +3 -3
  834. package/lib/commonjs/mol-theme/color.d.ts +16 -16
  835. package/lib/commonjs/mol-theme/color.js +2 -2
  836. package/lib/commonjs/mol-theme/emissive.js +1 -2
  837. package/lib/commonjs/mol-theme/label.js +11 -11
  838. package/lib/commonjs/mol-theme/overpaint.js +1 -2
  839. package/lib/commonjs/mol-theme/size/physical.js +4 -4
  840. package/lib/commonjs/mol-theme/size/shape-group.js +3 -3
  841. package/lib/commonjs/mol-theme/size/uncertainty.js +4 -4
  842. package/lib/commonjs/mol-theme/size/uniform.js +3 -3
  843. package/lib/commonjs/mol-theme/substance.js +1 -2
  844. package/lib/commonjs/mol-theme/theme.d.ts +3 -3
  845. package/lib/commonjs/mol-theme/transparency.js +1 -2
  846. package/lib/commonjs/mol-util/array.js +22 -23
  847. package/lib/commonjs/mol-util/binding.js +1 -2
  848. package/lib/commonjs/mol-util/clip.js +1 -2
  849. package/lib/commonjs/mol-util/color/color.js +6 -7
  850. package/lib/commonjs/mol-util/color/distinct.js +2 -2
  851. package/lib/commonjs/mol-util/color/lists.js +2 -2
  852. package/lib/commonjs/mol-util/color/palette.d.ts +4 -3
  853. package/lib/commonjs/mol-util/color/palette.js +2 -3
  854. package/lib/commonjs/mol-util/color/params.js +1 -2
  855. package/lib/commonjs/mol-util/color/scale.d.ts +2 -1
  856. package/lib/commonjs/mol-util/color/spaces/hcl.js +1 -2
  857. package/lib/commonjs/mol-util/color/spaces/lab.js +1 -2
  858. package/lib/commonjs/mol-util/data-source.d.ts +0 -1
  859. package/lib/commonjs/mol-util/data-source.js +7 -7
  860. package/lib/commonjs/mol-util/date.js +2 -3
  861. package/lib/commonjs/mol-util/debug.js +7 -7
  862. package/lib/commonjs/mol-util/download.js +1 -2
  863. package/lib/commonjs/mol-util/file-info.js +1 -2
  864. package/lib/commonjs/mol-util/id-factory.js +1 -2
  865. package/lib/commonjs/mol-util/index.js +13 -13
  866. package/lib/commonjs/mol-util/input/event-offset.js +1 -2
  867. package/lib/commonjs/mol-util/input/input-observer.js +4 -4
  868. package/lib/commonjs/mol-util/is-little-endian.js +1 -2
  869. package/lib/commonjs/mol-util/json.js +2 -3
  870. package/lib/commonjs/mol-util/legend.js +2 -3
  871. package/lib/commonjs/mol-util/make-dir.js +1 -2
  872. package/lib/commonjs/mol-util/map.js +1 -2
  873. package/lib/commonjs/mol-util/marker-action.js +6 -6
  874. package/lib/commonjs/mol-util/mask.js +2 -2
  875. package/lib/commonjs/mol-util/material.js +1 -2
  876. package/lib/commonjs/mol-util/memoize.js +2 -3
  877. package/lib/commonjs/mol-util/nodejs-shims.d.ts +1 -1
  878. package/lib/commonjs/mol-util/now.js +2 -2
  879. package/lib/commonjs/mol-util/number-packing.js +3 -4
  880. package/lib/commonjs/mol-util/number.js +7 -8
  881. package/lib/commonjs/mol-util/object.js +14 -15
  882. package/lib/commonjs/mol-util/param-mapping.js +1 -2
  883. package/lib/commonjs/mol-util/read.js +6 -7
  884. package/lib/commonjs/mol-util/reference-cache.js +3 -4
  885. package/lib/commonjs/mol-util/retry-if.js +1 -2
  886. package/lib/commonjs/mol-util/sleep.js +1 -2
  887. package/lib/commonjs/mol-util/string.js +18 -18
  888. package/lib/commonjs/mol-util/type-helpers.js +3 -4
  889. package/lib/commonjs/mol-util/url.js +2 -3
  890. package/lib/commonjs/mol-util/zip/bin.js +9 -10
  891. package/lib/commonjs/mol-util/zip/checksum.js +2 -3
  892. package/lib/commonjs/mol-util/zip/deflate.js +1 -2
  893. package/lib/commonjs/mol-util/zip/huffman.js +1 -2
  894. package/lib/commonjs/mol-util/zip/inflate.js +1 -2
  895. package/lib/commonjs/mol-util/zip/util.js +4 -4
  896. package/lib/commonjs/mol-util/zip/zip.js +8 -9
  897. package/lib/commonjs/servers/common/file-handle.js +1 -2
  898. package/lib/commonjs/servers/common/swagger-ui/index.js +2 -3
  899. package/lib/commonjs/servers/common/util.js +1 -2
  900. package/lib/commonjs/servers/model/config.d.ts +4 -4
  901. package/lib/commonjs/servers/model/config.js +2 -2
  902. package/lib/commonjs/servers/model/preprocess/converter.js +1 -2
  903. package/lib/commonjs/servers/model/preprocess/parallel.js +2 -3
  904. package/lib/commonjs/servers/model/preprocess/preprocess.js +1 -2
  905. package/lib/commonjs/servers/model/preprocess/util.js +2 -3
  906. package/lib/commonjs/servers/model/property-provider.js +2 -3
  907. package/lib/commonjs/servers/model/query/atoms.js +1 -2
  908. package/lib/commonjs/servers/model/server/api-local.js +1 -2
  909. package/lib/commonjs/servers/model/server/api-schema.js +2 -2
  910. package/lib/commonjs/servers/model/server/api-web-multiple.js +1 -2
  911. package/lib/commonjs/servers/model/server/api-web.js +2 -3
  912. package/lib/commonjs/servers/model/server/api.js +4 -4
  913. package/lib/commonjs/servers/model/server/jobs.js +3 -3
  914. package/lib/commonjs/servers/model/server/query.js +2 -3
  915. package/lib/commonjs/servers/model/server/structure-wrapper.js +6 -6
  916. package/lib/commonjs/servers/model/utils/fetch-retry.js +1 -2
  917. package/lib/commonjs/servers/model/utils/tar.d.ts +0 -1
  918. package/lib/commonjs/servers/model/utils/tar.js +2 -2
  919. package/lib/commonjs/servers/plugin-state/api-schema.js +2 -2
  920. package/lib/commonjs/servers/plugin-state/config.js +1 -2
  921. package/lib/commonjs/servers/volume/common/binary-schema.d.ts +0 -1
  922. package/lib/commonjs/servers/volume/common/binary-schema.js +5 -5
  923. package/lib/commonjs/servers/volume/common/data-format.d.ts +0 -1
  924. package/lib/commonjs/servers/volume/common/data-format.js +2 -3
  925. package/lib/commonjs/servers/volume/common/file.js +4 -5
  926. package/lib/commonjs/servers/volume/config.d.ts +1 -5
  927. package/lib/commonjs/servers/volume/config.js +3 -3
  928. package/lib/commonjs/servers/volume/pack/data-model.js +2 -3
  929. package/lib/commonjs/servers/volume/pack/downsampling.js +2 -3
  930. package/lib/commonjs/servers/volume/pack/format/ccp4.js +2 -2
  931. package/lib/commonjs/servers/volume/pack/format/dsn6.js +2 -2
  932. package/lib/commonjs/servers/volume/pack/format.js +4 -5
  933. package/lib/commonjs/servers/volume/pack/main.js +1 -2
  934. package/lib/commonjs/servers/volume/pack/sampling.js +2 -3
  935. package/lib/commonjs/servers/volume/pack/writer.js +1 -2
  936. package/lib/commonjs/servers/volume/server/algebra/box.js +14 -15
  937. package/lib/commonjs/servers/volume/server/algebra/coordinate.js +17 -18
  938. package/lib/commonjs/servers/volume/server/api.js +3 -4
  939. package/lib/commonjs/servers/volume/server/local-api.js +1 -2
  940. package/lib/commonjs/servers/volume/server/query/compose.js +1 -2
  941. package/lib/commonjs/servers/volume/server/query/encode.js +1 -2
  942. package/lib/commonjs/servers/volume/server/query/execute.js +1 -2
  943. package/lib/commonjs/servers/volume/server/query/identify.js +1 -2
  944. package/lib/commonjs/servers/volume/server/web-api.js +1 -2
  945. package/lib/commonjs/servers/volume/server/web-schema.js +2 -2
  946. package/lib/examples/lighting/index.d.ts +1 -1
  947. package/lib/examples/lighting/index.js +2 -1
  948. package/lib/examples/proteopedia-wrapper/coloring.d.ts +5 -20
  949. package/lib/extensions/alpha-orbitals/transforms.d.ts +3 -3
  950. package/lib/extensions/anvil/behavior.d.ts +1 -0
  951. package/lib/extensions/anvil/representation.d.ts +4 -0
  952. package/lib/extensions/assembly-symmetry/behavior.d.ts +1 -0
  953. package/lib/extensions/assembly-symmetry/color.d.ts +2 -2
  954. package/lib/extensions/assembly-symmetry/representation.d.ts +1 -0
  955. package/lib/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  956. package/lib/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
  957. package/lib/extensions/g3d/format.d.ts +3 -3
  958. package/lib/extensions/geo-export/mesh-exporter.d.ts +2 -2
  959. package/lib/extensions/geo-export/ui.d.ts +0 -1
  960. package/lib/extensions/meshes/mesh-extension.d.ts +3 -5
  961. package/lib/extensions/meshes/mesh-streaming/behavior.d.ts +3 -3
  962. package/lib/extensions/meshes/mesh-streaming/server-info.d.ts +3 -3
  963. package/lib/extensions/model-archive/quality-assessment/color/plddt.d.ts +1 -1
  964. package/lib/extensions/model-archive/quality-assessment/color/plddt.js +8 -5
  965. package/lib/extensions/model-export/ui.d.ts +0 -1
  966. package/lib/extensions/mp4-export/controls.d.ts +1 -1
  967. package/lib/extensions/mp4-export/encoder.js +1 -1
  968. package/lib/extensions/mp4-export/ui.d.ts +0 -1
  969. package/lib/extensions/mvs/components/annotation-label/representation.d.ts +32 -34
  970. package/lib/extensions/mvs/components/annotation-label/visual.d.ts +16 -16
  971. package/lib/extensions/mvs/components/custom-label/representation.d.ts +32 -32
  972. package/lib/extensions/mvs/components/custom-label/visual.d.ts +16 -16
  973. package/lib/extensions/mvs/components/formats.d.ts +6 -6
  974. package/lib/extensions/mvs/helpers/indexing.d.ts +2 -2
  975. package/lib/extensions/mvs/helpers/schemas.d.ts +1 -1
  976. package/lib/extensions/mvs/helpers/utils.d.ts +1 -1
  977. package/lib/extensions/mvs/load-helpers.d.ts +1 -1
  978. package/lib/extensions/mvs/tree/mvs/mvs-builder.d.ts +0 -2
  979. package/lib/extensions/rcsb/validation-report/representation.d.ts +5 -0
  980. package/lib/extensions/sb-ncbr/index.d.ts +8 -0
  981. package/lib/extensions/sb-ncbr/index.js +8 -0
  982. package/lib/extensions/sb-ncbr/tunnels/actions.d.ts +20 -0
  983. package/lib/extensions/sb-ncbr/tunnels/actions.js +86 -0
  984. package/lib/extensions/sb-ncbr/tunnels/algorithm.d.ts +26 -0
  985. package/lib/extensions/sb-ncbr/tunnels/algorithm.js +469 -0
  986. package/lib/extensions/sb-ncbr/tunnels/behavior.d.ts +40 -0
  987. package/lib/extensions/sb-ncbr/tunnels/behavior.js +92 -0
  988. package/lib/extensions/sb-ncbr/tunnels/data-model.d.ts +146 -0
  989. package/lib/extensions/sb-ncbr/tunnels/data-model.js +23 -0
  990. package/lib/extensions/sb-ncbr/tunnels/examples.d.ts +12 -0
  991. package/lib/extensions/sb-ncbr/tunnels/examples.js +49 -0
  992. package/lib/extensions/sb-ncbr/tunnels/props.d.ts +19 -0
  993. package/lib/extensions/sb-ncbr/tunnels/props.js +22 -0
  994. package/lib/extensions/sb-ncbr/tunnels/representation.d.ts +29 -0
  995. package/lib/extensions/sb-ncbr/tunnels/representation.js +96 -0
  996. package/lib/extensions/volumes-and-segmentations/entry-root.d.ts +3 -3
  997. package/lib/extensions/volumes-and-segmentations/entry-state.d.ts +3 -3
  998. package/lib/extensions/volumes-and-segmentations/global-state.d.ts +3 -3
  999. package/lib/extensions/volumes-and-segmentations/ui.d.ts +0 -1
  1000. package/lib/extensions/zenodo/ui.d.ts +0 -1
  1001. package/lib/mol-canvas3d/camera/transition.d.ts +1 -1
  1002. package/lib/mol-canvas3d/camera/transition.js +23 -6
  1003. package/lib/mol-canvas3d/canvas3d.d.ts +26 -1
  1004. package/lib/mol-canvas3d/canvas3d.js +4 -0
  1005. package/lib/mol-canvas3d/helper/bounding-sphere-helper.d.ts +1 -6
  1006. package/lib/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  1007. package/lib/mol-canvas3d/helper/helper.d.ts +2 -0
  1008. package/lib/mol-canvas3d/passes/dof.d.ts +34 -0
  1009. package/lib/mol-canvas3d/passes/dof.js +163 -0
  1010. package/lib/mol-canvas3d/passes/draw.d.ts +2 -0
  1011. package/lib/mol-canvas3d/passes/draw.js +31 -8
  1012. package/lib/mol-canvas3d/passes/image.d.ts +10 -0
  1013. package/lib/mol-canvas3d/passes/multi-sample.d.ts +2 -1
  1014. package/lib/mol-canvas3d/passes/multi-sample.js +4 -3
  1015. package/lib/mol-canvas3d/passes/postprocessing.d.ts +9 -0
  1016. package/lib/mol-canvas3d/passes/postprocessing.js +10 -0
  1017. package/lib/mol-data/db/column.d.ts +1 -1
  1018. package/lib/mol-geo/geometry/base.d.ts +1 -1
  1019. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +1 -0
  1020. package/lib/mol-geo/geometry/cylinders/cylinders.js +3 -0
  1021. package/lib/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -0
  1022. package/lib/mol-geo/geometry/direct-volume/direct-volume.js +3 -0
  1023. package/lib/mol-geo/geometry/image/image.d.ts +1 -1
  1024. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  1025. package/lib/mol-geo/geometry/mesh/mesh.d.ts +1 -0
  1026. package/lib/mol-geo/geometry/mesh/mesh.js +3 -0
  1027. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  1028. package/lib/mol-geo/geometry/spheres/spheres.d.ts +1 -0
  1029. package/lib/mol-geo/geometry/spheres/spheres.js +3 -0
  1030. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -0
  1031. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -0
  1032. package/lib/mol-gl/renderable/cylinders.d.ts +1 -0
  1033. package/lib/mol-gl/renderable/cylinders.js +1 -0
  1034. package/lib/mol-gl/renderable/direct-volume.d.ts +1 -0
  1035. package/lib/mol-gl/renderable/direct-volume.js +1 -0
  1036. package/lib/mol-gl/renderable/mesh.d.ts +1 -0
  1037. package/lib/mol-gl/renderable/mesh.js +1 -0
  1038. package/lib/mol-gl/renderable/schema.d.ts +1 -0
  1039. package/lib/mol-gl/renderable/schema.js +1 -0
  1040. package/lib/mol-gl/renderable/spheres.d.ts +1 -0
  1041. package/lib/mol-gl/renderable/spheres.js +1 -0
  1042. package/lib/mol-gl/renderable/texture-mesh.d.ts +1 -0
  1043. package/lib/mol-gl/renderable/texture-mesh.js +1 -0
  1044. package/lib/mol-gl/renderer.d.ts +1 -0
  1045. package/lib/mol-gl/renderer.js +6 -0
  1046. package/lib/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -1
  1047. package/lib/mol-gl/shader/chunks/apply-light-color.glsl.js +57 -24
  1048. package/lib/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  1049. package/lib/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -0
  1050. package/lib/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
  1051. package/lib/mol-gl/shader/chunks/common.glsl.js +6 -0
  1052. package/lib/mol-gl/shader/cylinders.frag.d.ts +2 -1
  1053. package/lib/mol-gl/shader/cylinders.frag.js +11 -2
  1054. package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  1055. package/lib/mol-gl/shader/direct-volume.frag.js +1 -0
  1056. package/lib/mol-gl/shader/dof.frag.d.ts +7 -0
  1057. package/lib/mol-gl/shader/dof.frag.js +119 -0
  1058. package/lib/mol-gl/shader/ssao-blur.frag.d.ts +1 -1
  1059. package/lib/mol-gl/shader/ssao-blur.frag.js +9 -6
  1060. package/lib/mol-gl/shader-code.js +1 -1
  1061. package/lib/mol-gl/webgl/context.js +1 -0
  1062. package/lib/mol-gl/webgl/render-item.d.ts +2 -2
  1063. package/lib/mol-gl/webgl/timer.d.ts +1 -1
  1064. package/lib/mol-gl/webgl/timer.js +8 -1
  1065. package/lib/mol-io/common/simple-buffer.d.ts +0 -1
  1066. package/lib/mol-io/reader/cif/schema/bird.d.ts +1 -1
  1067. package/lib/mol-io/reader/cif/schema/bird.js +1 -1
  1068. package/lib/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  1069. package/lib/mol-io/reader/cif/schema/ccd.js +1 -1
  1070. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +9 -1
  1071. package/lib/mol-io/reader/cif/schema/mmcif.js +9 -1
  1072. package/lib/mol-io/reader/common/text/column/fixed.d.ts +1 -1
  1073. package/lib/mol-io/reader/common/text/column/token.d.ts +1 -1
  1074. package/lib/mol-io/reader/ply/schema.d.ts +1 -1
  1075. package/lib/mol-math/linear-algebra/3d/minimize-rmsd.js +2 -1
  1076. package/lib/mol-model/loci.d.ts +1 -1
  1077. package/lib/mol-model/sequence/alignment/alignment.d.ts +2 -1
  1078. package/lib/mol-model/structure/model/types/saccharides.js +1 -1
  1079. package/lib/mol-model/structure/model/types.d.ts +3 -3
  1080. package/lib/mol-model/structure/query/queries/generators.js +2 -2
  1081. package/lib/mol-model/structure/structure/properties.d.ts +1 -0
  1082. package/lib/mol-model/structure/structure/properties.js +1 -0
  1083. package/lib/mol-model/volume/volume.d.ts +6 -6
  1084. package/lib/mol-model-formats/shape/ply.d.ts +2 -0
  1085. package/lib/mol-model-formats/structure/basic/schema.d.ts +1 -0
  1086. package/lib/mol-model-formats/structure/common/entity.d.ts +1 -0
  1087. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
  1088. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
  1089. package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
  1090. package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
  1091. package/lib/mol-model-props/sequence/themes/sifts-mapping.d.ts +2 -2
  1092. package/lib/mol-plugin/animation-loop.d.ts +1 -0
  1093. package/lib/mol-plugin/behavior/behavior.d.ts +9 -9
  1094. package/lib/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +9 -9
  1095. package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +3 -3
  1096. package/lib/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +3 -3
  1097. package/lib/mol-plugin/commands.d.ts +23 -87
  1098. package/lib/mol-plugin/context.d.ts +3 -2
  1099. package/lib/mol-plugin/context.js +4 -2
  1100. package/lib/mol-plugin/state.d.ts +7 -7
  1101. package/lib/mol-plugin/util/headless-screenshot.d.ts +1 -1
  1102. package/lib/mol-plugin/util/headless-screenshot.js +3 -1
  1103. package/lib/mol-plugin/util/viewport-screenshot.d.ts +1 -1
  1104. package/lib/mol-plugin/util/viewport-screenshot.js +2 -1
  1105. package/lib/mol-plugin/version.js +2 -2
  1106. package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
  1107. package/lib/mol-plugin-state/actions/volume.js +4 -12
  1108. package/lib/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
  1109. package/lib/mol-plugin-state/animation/built-in/state-snapshots.js +7 -3
  1110. package/lib/mol-plugin-state/formats/registry.d.ts +1 -1
  1111. package/lib/mol-plugin-state/formats/trajectory.d.ts +9 -9
  1112. package/lib/mol-plugin-state/formats/volume.d.ts +0 -1
  1113. package/lib/mol-plugin-state/manager/structure/hierarchy.d.ts +3 -3
  1114. package/lib/mol-plugin-state/manager/structure/measurement.d.ts +4 -0
  1115. package/lib/mol-plugin-state/objects.d.ts +97 -97
  1116. package/lib/mol-plugin-state/transforms/data.d.ts +10 -1
  1117. package/lib/mol-plugin-state/transforms/data.js +30 -1
  1118. package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
  1119. package/lib/mol-plugin-ui/base.js +2 -1
  1120. package/lib/mol-plugin-ui/controls/icons.d.ts +5 -0
  1121. package/lib/mol-plugin-ui/controls/icons.js +10 -0
  1122. package/lib/mol-plugin-ui/controls/parameters.d.ts +3 -3
  1123. package/lib/mol-plugin-ui/controls.js +1 -1
  1124. package/lib/mol-plugin-ui/left-panel.d.ts +0 -1
  1125. package/lib/mol-plugin-ui/plugin.js +3 -2
  1126. package/lib/mol-plugin-ui/skin/base/components/controls.scss +6 -0
  1127. package/lib/mol-plugin-ui/spec.d.ts +10 -10
  1128. package/lib/mol-plugin-ui/spec.js +1 -1
  1129. package/lib/mol-plugin-ui/state/apply-action.d.ts +1 -1
  1130. package/lib/mol-plugin-ui/state/update-transform.d.ts +1 -1
  1131. package/lib/mol-plugin-ui/structure/quick-styles.d.ts +2 -1
  1132. package/lib/mol-plugin-ui/structure/quick-styles.js +5 -2
  1133. package/lib/mol-plugin-ui/structure/selection.d.ts +2 -2
  1134. package/lib/mol-plugin-ui/viewport/simple-settings.js +3 -0
  1135. package/lib/mol-repr/representation.d.ts +3 -3
  1136. package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
  1137. package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
  1138. package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
  1139. package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
  1140. package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
  1141. package/lib/mol-repr/structure/complex-visual.d.ts +5 -0
  1142. package/lib/mol-repr/structure/params.d.ts +5 -0
  1143. package/lib/mol-repr/structure/registry.d.ts +11 -0
  1144. package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
  1145. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  1146. package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
  1147. package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
  1148. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  1149. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
  1150. package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +3 -0
  1151. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
  1152. package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
  1153. package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
  1154. package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
  1155. package/lib/mol-repr/structure/units-visual.d.ts +5 -0
  1156. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  1157. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  1158. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
  1159. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
  1160. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
  1161. package/lib/mol-repr/structure/visual/element-sphere.d.ts +4 -0
  1162. package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
  1163. package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -0
  1164. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
  1165. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
  1166. package/lib/mol-repr/structure/visual/nucleotide-atomic-bond.d.ts +2 -0
  1167. package/lib/mol-repr/structure/visual/nucleotide-atomic-element.d.ts +2 -0
  1168. package/lib/mol-repr/structure/visual/nucleotide-atomic-ring-fill.d.ts +1 -0
  1169. package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
  1170. package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
  1171. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
  1172. package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
  1173. package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
  1174. package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
  1175. package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
  1176. package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
  1177. package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
  1178. package/lib/mol-repr/structure/visual/util/nucleotide.d.ts +60 -60
  1179. package/lib/mol-repr/volume/direct-volume.d.ts +48 -45
  1180. package/lib/mol-repr/volume/isosurface.d.ts +95 -90
  1181. package/lib/mol-repr/volume/registry.d.ts +63 -60
  1182. package/lib/mol-repr/volume/segment.d.ts +80 -75
  1183. package/lib/mol-repr/volume/slice.d.ts +45 -45
  1184. package/lib/mol-script/language/symbol-table/core.d.ts +1 -1
  1185. package/lib/mol-state/object.d.ts +4 -4
  1186. package/lib/mol-state/state.d.ts +4 -4
  1187. package/lib/mol-state/transform.d.ts +1 -1
  1188. package/lib/mol-state/transformer.d.ts +1 -1
  1189. package/lib/mol-task/util/scheduler.d.ts +0 -1
  1190. package/lib/mol-theme/color/atom-id.d.ts +2 -2
  1191. package/lib/mol-theme/color/chain-id.d.ts +2 -2
  1192. package/lib/mol-theme/color/element-index.d.ts +2 -2
  1193. package/lib/mol-theme/color/entity-id.d.ts +2 -2
  1194. package/lib/mol-theme/color/entity-source.d.ts +2 -2
  1195. package/lib/mol-theme/color/external-volume.d.ts +2 -2
  1196. package/lib/mol-theme/color/model-index.d.ts +2 -2
  1197. package/lib/mol-theme/color/operator-hkl.d.ts +2 -2
  1198. package/lib/mol-theme/color/operator-name.d.ts +2 -2
  1199. package/lib/mol-theme/color/polymer-id.d.ts +2 -2
  1200. package/lib/mol-theme/color/polymer-index.d.ts +2 -2
  1201. package/lib/mol-theme/color/structure-index.d.ts +2 -2
  1202. package/lib/mol-theme/color/trajectory-index.d.ts +2 -2
  1203. package/lib/mol-theme/color/unit-index.d.ts +2 -2
  1204. package/lib/mol-theme/color/volume-segment.d.ts +2 -2
  1205. package/lib/mol-theme/color.d.ts +16 -16
  1206. package/lib/mol-theme/theme.d.ts +3 -3
  1207. package/lib/mol-util/color/palette.d.ts +4 -3
  1208. package/lib/mol-util/color/scale.d.ts +2 -1
  1209. package/lib/mol-util/data-source.d.ts +0 -1
  1210. package/lib/mol-util/nodejs-shims.d.ts +1 -1
  1211. package/lib/servers/model/config.d.ts +4 -4
  1212. package/lib/servers/model/utils/tar.d.ts +0 -1
  1213. package/lib/servers/volume/common/binary-schema.d.ts +0 -1
  1214. package/lib/servers/volume/common/data-format.d.ts +0 -1
  1215. package/lib/servers/volume/config.d.ts +1 -5
  1216. package/package.json +18 -16
@@ -0,0 +1,40 @@
1
+ /**
2
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
5
+ */
6
+ import { PluginBehavior } from '../../../mol-plugin/behavior';
7
+ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
8
+ import { StructureRepresentationPresetProvider } from '../../../mol-plugin-state/builder/structure/representation-preset';
9
+ import { Structure } from '../../../mol-model/structure';
10
+ export declare const SbNcbrTunnels: import("../../../mol-state").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {
11
+ autoAttach: boolean;
12
+ }>;
13
+ export declare function isApplicable(structure?: Structure): boolean;
14
+ export declare const TunnelsPreset: StructureRepresentationPresetProvider<{
15
+ serverType: "pdb";
16
+ serverUrl: string;
17
+ ignoreHydrogens: boolean | undefined;
18
+ ignoreHydrogensVariant: "all" | "non-polar" | undefined;
19
+ ignoreLight: boolean | undefined;
20
+ quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
21
+ theme: PD.Normalize<{
22
+ globalName: any;
23
+ globalColorParams: any;
24
+ carbonColor: any;
25
+ symmetryColor: any;
26
+ symmetryColorParams: any;
27
+ focus: any;
28
+ }> | undefined;
29
+ }, {
30
+ components?: undefined;
31
+ representations?: undefined;
32
+ } | {
33
+ components: {
34
+ polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
35
+ } | {
36
+ all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
37
+ branched: undefined;
38
+ } | undefined;
39
+ representations: {};
40
+ }>;
@@ -0,0 +1,96 @@
1
+ "use strict";
2
+ /**
3
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
+ *
5
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
6
+ */
7
+ Object.defineProperty(exports, "__esModule", { value: true });
8
+ exports.TunnelsPreset = exports.SbNcbrTunnels = void 0;
9
+ exports.isApplicable = isApplicable;
10
+ const behavior_1 = require("../../../mol-plugin/behavior");
11
+ const actions_1 = require("./actions");
12
+ const param_definition_1 = require("../../../mol-util/param-definition");
13
+ const representation_preset_1 = require("../../../mol-plugin-state/builder/structure/representation-preset");
14
+ const structure_1 = require("../../../mol-model/structure");
15
+ const mol_state_1 = require("../../../mol-state");
16
+ const props_1 = require("./props");
17
+ const transforms_1 = require("../../../mol-plugin-state/transforms");
18
+ const representation_1 = require("./representation");
19
+ const mesh_utils_1 = require("../../meshes/mesh-utils");
20
+ exports.SbNcbrTunnels = behavior_1.PluginBehavior.create({
21
+ name: 'sb-ncbr-tunnels',
22
+ category: 'misc',
23
+ display: {
24
+ name: 'SB NCBR Tunnels',
25
+ },
26
+ ctor: class extends behavior_1.PluginBehavior.Handler {
27
+ register() {
28
+ this.ctx.state.data.actions.add(actions_1.DownloadTunnels);
29
+ this.ctx.builders.structure.representation.registerPreset(exports.TunnelsPreset);
30
+ }
31
+ unregister() {
32
+ this.ctx.state.data.actions.remove(actions_1.DownloadTunnels);
33
+ this.ctx.builders.structure.representation.unregisterPreset(exports.TunnelsPreset);
34
+ }
35
+ },
36
+ params: () => ({
37
+ autoAttach: param_definition_1.ParamDefinition.Boolean(true),
38
+ })
39
+ });
40
+ function isApplicable(structure) {
41
+ return (!!structure && structure.models.length === 1 &&
42
+ structure_1.Model.hasPdbId(structure.models[0]));
43
+ }
44
+ exports.TunnelsPreset = (0, representation_preset_1.StructureRepresentationPresetProvider)({
45
+ id: 'sb-ncbr-preset-structure-tunnels',
46
+ display: {
47
+ name: 'Tunnels', group: 'Annotation',
48
+ description: 'Shows Tunnels from ChannelsDB contained in the structure.'
49
+ },
50
+ isApplicable(a) {
51
+ return isApplicable(a.data);
52
+ },
53
+ params: (a, plugin) => {
54
+ return {
55
+ ...representation_preset_1.StructureRepresentationPresetProvider.CommonParams,
56
+ ...getConfiguredDefaultParams(plugin)
57
+ };
58
+ },
59
+ async apply(ref, params, plugin) {
60
+ var _a, _b;
61
+ const structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
62
+ const structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
63
+ if (!structureCell || !structure)
64
+ return {};
65
+ const update = plugin.build();
66
+ const webgl = (_b = plugin.canvas3dContext) === null || _b === void 0 ? void 0 : _b.webgl;
67
+ const response = await (await fetch(`${params.serverUrl}/channels/${params.serverType}/${structure.model.entryId.toLowerCase()}`)).json();
68
+ const tunnels = [];
69
+ Object.entries(response.Channels).forEach(([key, values]) => {
70
+ if (values.length > 0) {
71
+ values.forEach((item) => {
72
+ tunnels.push({ data: item.Profile, props: { id: item.Id, type: item.Type } });
73
+ });
74
+ }
75
+ });
76
+ await tunnels.forEach(async (tunnel) => {
77
+ await update
78
+ .toRoot()
79
+ .apply(representation_1.TunnelFromRawData, { data: tunnel })
80
+ .apply(representation_1.TunnelShapeProvider, {
81
+ webgl,
82
+ colorTheme: mesh_utils_1.ColorGenerator.next().value,
83
+ })
84
+ .apply(transforms_1.StateTransforms.Representation.ShapeRepresentation3D);
85
+ await update.commit();
86
+ });
87
+ const preset = await representation_preset_1.PresetStructureRepresentations.auto.apply(ref, { ...params }, plugin);
88
+ return { components: preset.components, representations: { ...preset.representations, } };
89
+ }
90
+ });
91
+ function getConfiguredDefaultParams(plugin) {
92
+ const config = (0, props_1.getTunnelsConfig)(plugin);
93
+ const params = param_definition_1.ParamDefinition.clone(props_1.TunnelsDataParams);
94
+ param_definition_1.ParamDefinition.setDefaultValues(params, { serverType: config.DefaultServerType, serverUrl: config.DefaultServerUrl });
95
+ return params;
96
+ }
@@ -0,0 +1,146 @@
1
+ /**
2
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
5
+ */
6
+ import { WebGLContext } from '../../../mol-gl/webgl/context';
7
+ import { PluginStateObject } from '../../../mol-plugin-state/objects';
8
+ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
9
+ export interface Profile {
10
+ Charge: number;
11
+ Radius: number;
12
+ FreeRadius: number;
13
+ T: number;
14
+ Distance: number;
15
+ X: number;
16
+ Y: number;
17
+ Z: number;
18
+ }
19
+ export interface Layerweightedproperties {
20
+ Hydrophobicity: number;
21
+ Hydropathy: number;
22
+ Polarity: number;
23
+ Mutability: number;
24
+ }
25
+ export interface LayerGeometry {
26
+ MinRadius: number;
27
+ MinFreeRadius: number;
28
+ StartDistance: number;
29
+ EndDistance: number;
30
+ LocalMinimum: boolean;
31
+ Bottleneck: boolean;
32
+ bottleneck: boolean;
33
+ }
34
+ export interface Properties {
35
+ Charge: number;
36
+ NumPositives: number;
37
+ NumNegatives: number;
38
+ Hydrophobicity: number;
39
+ Hydropathy: number;
40
+ Polarity: number;
41
+ Mutability: number;
42
+ }
43
+ export interface LayersInfo {
44
+ LayerGeometry: LayerGeometry;
45
+ Residues: string[];
46
+ FlowIndices: string[];
47
+ Properties: Properties;
48
+ }
49
+ export interface Layers {
50
+ ResidueFlow: string[];
51
+ HetResidues: any[];
52
+ LayerWeightedProperties: Layerweightedproperties;
53
+ LayersInfo: LayersInfo[];
54
+ }
55
+ export interface TunnelDB {
56
+ Type: string;
57
+ Id: string;
58
+ Cavity: string;
59
+ Auto: boolean;
60
+ Properties: Properties;
61
+ Profile: Profile[];
62
+ Layers: Layers;
63
+ }
64
+ export interface ChannelsDBdata {
65
+ 'CSATunnels_MOLE': TunnelDB[];
66
+ 'CSATunnels_Caver': TunnelDB[];
67
+ 'ReviewedChannels_MOLE': TunnelDB[];
68
+ 'ReviewedChannels_Caver': TunnelDB[];
69
+ 'CofactorTunnels_MOLE': TunnelDB[];
70
+ 'CofactorTunnels_Caver': TunnelDB[];
71
+ 'TransmembranePores_MOLE': TunnelDB[];
72
+ 'TransmembranePores_Caver': TunnelDB[];
73
+ 'ProcognateTunnels_MOLE': TunnelDB[];
74
+ 'ProcognateTunnels_Caver': TunnelDB[];
75
+ 'AlphaFillTunnels_MOLE': TunnelDB[];
76
+ 'AlphaFillTunnels_Caver': TunnelDB[];
77
+ }
78
+ export interface ChannelsCache {
79
+ Channels: ChannelsDBdata;
80
+ }
81
+ export interface Tunnel {
82
+ data: Profile[];
83
+ props: {
84
+ highlight_label?: string;
85
+ type?: string;
86
+ id?: string;
87
+ label?: string;
88
+ description?: string;
89
+ };
90
+ }
91
+ export declare const TunnelShapeParams: {
92
+ webgl: PD.Value<WebGLContext | null>;
93
+ colorTheme: PD.Color;
94
+ visual: PD.Mapped<PD.NamedParams<PD.Normalize<{
95
+ resolution: number;
96
+ }>, "spheres"> | PD.NamedParams<PD.Normalize<{
97
+ resolution: number;
98
+ }>, "mesh">>;
99
+ samplingRate: PD.Numeric;
100
+ showRadii: PD.BooleanParam;
101
+ };
102
+ declare const TunnelStateObject_base: {
103
+ new (data: {
104
+ tunnel: Tunnel;
105
+ }, props?: {
106
+ label: string;
107
+ description?: string;
108
+ } | undefined): {
109
+ id: import("../../../mol-util").UUID;
110
+ type: PluginStateObject.TypeInfo;
111
+ label: string;
112
+ description?: string;
113
+ data: {
114
+ tunnel: Tunnel;
115
+ };
116
+ };
117
+ type: PluginStateObject.TypeInfo;
118
+ is(obj?: import("../../../mol-state").StateObject): obj is import("../../../mol-state").StateObject<{
119
+ tunnel: Tunnel;
120
+ }, PluginStateObject.TypeInfo>;
121
+ };
122
+ export declare class TunnelStateObject extends TunnelStateObject_base {
123
+ }
124
+ declare const TunnelsStateObject_base: {
125
+ new (data: {
126
+ tunnels: Tunnel[];
127
+ }, props?: {
128
+ label: string;
129
+ description?: string;
130
+ } | undefined): {
131
+ id: import("../../../mol-util").UUID;
132
+ type: PluginStateObject.TypeInfo;
133
+ label: string;
134
+ description?: string;
135
+ data: {
136
+ tunnels: Tunnel[];
137
+ };
138
+ };
139
+ type: PluginStateObject.TypeInfo;
140
+ is(obj?: import("../../../mol-state").StateObject): obj is import("../../../mol-state").StateObject<{
141
+ tunnels: Tunnel[];
142
+ }, PluginStateObject.TypeInfo>;
143
+ };
144
+ export declare class TunnelsStateObject extends TunnelsStateObject_base {
145
+ }
146
+ export {};
@@ -0,0 +1,28 @@
1
+ "use strict";
2
+ /**
3
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
+ *
5
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
6
+ */
7
+ Object.defineProperty(exports, "__esModule", { value: true });
8
+ exports.TunnelsStateObject = exports.TunnelStateObject = exports.TunnelShapeParams = void 0;
9
+ const objects_1 = require("../../../mol-plugin-state/objects");
10
+ const color_1 = require("../../../mol-util/color");
11
+ const param_definition_1 = require("../../../mol-util/param-definition");
12
+ ;
13
+ exports.TunnelShapeParams = {
14
+ webgl: param_definition_1.ParamDefinition.Value(null),
15
+ colorTheme: param_definition_1.ParamDefinition.Color((0, color_1.Color)(0xff0000)),
16
+ visual: param_definition_1.ParamDefinition.MappedStatic('mesh', {
17
+ mesh: param_definition_1.ParamDefinition.Group({ resolution: param_definition_1.ParamDefinition.Numeric(2) }),
18
+ spheres: param_definition_1.ParamDefinition.Group({ resolution: param_definition_1.ParamDefinition.Numeric(2) })
19
+ }),
20
+ samplingRate: param_definition_1.ParamDefinition.Numeric(1, { min: 0.05, max: 1, step: 0.05 }),
21
+ showRadii: param_definition_1.ParamDefinition.Boolean(false),
22
+ };
23
+ class TunnelStateObject extends objects_1.PluginStateObject.Create({ name: 'Tunnel Entry', typeClass: 'Data' }) {
24
+ }
25
+ exports.TunnelStateObject = TunnelStateObject;
26
+ class TunnelsStateObject extends objects_1.PluginStateObject.Create({ name: 'Tunnels', typeClass: 'Data' }) {
27
+ }
28
+ exports.TunnelsStateObject = TunnelsStateObject;
@@ -0,0 +1,12 @@
1
+ /**
2
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
5
+ */
6
+ import { PluginContext } from '../../../mol-plugin/context';
7
+ export declare const DB_URL = "https://channelsdb2.biodata.ceitec.cz/api/channels/";
8
+ export declare const SUB_DB = "pdb";
9
+ export declare const CHANNEL = "1ymg";
10
+ export declare const URL = "https://channelsdb2.biodata.ceitec.cz/api/channels/pdb/1ymg";
11
+ export declare function runVisualizeTunnels(plugin: PluginContext, url?: string): Promise<void>;
12
+ export declare function runVisualizeTunnel(plugin: PluginContext): Promise<void>;
@@ -0,0 +1,54 @@
1
+ "use strict";
2
+ /**
3
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
+ *
5
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
6
+ */
7
+ Object.defineProperty(exports, "__esModule", { value: true });
8
+ exports.URL = exports.CHANNEL = exports.SUB_DB = exports.DB_URL = void 0;
9
+ exports.runVisualizeTunnels = runVisualizeTunnels;
10
+ exports.runVisualizeTunnel = runVisualizeTunnel;
11
+ const transforms_1 = require("../../../mol-plugin-state/transforms");
12
+ const representation_1 = require("./representation");
13
+ exports.DB_URL = 'https://channelsdb2.biodata.ceitec.cz/api/channels/';
14
+ exports.SUB_DB = 'pdb';
15
+ exports.CHANNEL = '1ymg';
16
+ exports.URL = `${exports.DB_URL}${exports.SUB_DB}/${exports.CHANNEL}`;
17
+ async function runVisualizeTunnels(plugin, url = exports.URL) {
18
+ var _a;
19
+ const update = plugin.build();
20
+ const webgl = (_a = plugin.canvas3dContext) === null || _a === void 0 ? void 0 : _a.webgl;
21
+ const response = await (await fetch(url)).json();
22
+ const tunnels = [];
23
+ Object.entries(response.Channels).forEach(([key, values]) => {
24
+ if (values.length > 0) {
25
+ values.forEach((item) => {
26
+ tunnels.push({ data: item.Profile, props: { id: item.Id, type: item.Type } });
27
+ });
28
+ }
29
+ });
30
+ update
31
+ .toRoot()
32
+ .apply(representation_1.TunnelsFromRawData, { data: tunnels })
33
+ .apply(representation_1.SelectTunnel)
34
+ .apply(representation_1.TunnelShapeProvider, {
35
+ webgl,
36
+ })
37
+ .apply(transforms_1.StateTransforms.Representation.ShapeRepresentation3D);
38
+ await update.commit();
39
+ }
40
+ async function runVisualizeTunnel(plugin) {
41
+ var _a;
42
+ const update = plugin.build();
43
+ const webgl = (_a = plugin.canvas3dContext) === null || _a === void 0 ? void 0 : _a.webgl;
44
+ const response = await (await fetch(exports.URL)).json();
45
+ const tunnel = response.Channels.TransmembranePores_MOLE[0];
46
+ update
47
+ .toRoot()
48
+ .apply(representation_1.TunnelFromRawData, { data: { data: tunnel.Profile, props: { id: tunnel.Id, type: tunnel.Type } } })
49
+ .apply(representation_1.TunnelShapeProvider, {
50
+ webgl,
51
+ })
52
+ .apply(transforms_1.StateTransforms.Representation.ShapeRepresentation3D);
53
+ await update.commit();
54
+ }
@@ -0,0 +1,19 @@
1
+ import { PluginConfigItem } from '../../../mol-plugin/config';
2
+ import { PluginContext } from '../../../mol-plugin/context';
3
+ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
4
+ export declare namespace TunnelsData {
5
+ const DefaultServerUrl = "https://channelsdb2.biodata.ceitec.cz/api";
6
+ const DefaultServerType = "pdb";
7
+ }
8
+ export declare const TunnelsDataParams: {
9
+ serverType: PD.Select<"pdb">;
10
+ serverUrl: PD.Text<string>;
11
+ };
12
+ export type TunnelsDataParams = typeof TunnelsDataParams;
13
+ export declare const TunnelsServerConfig: {
14
+ DefaultServerUrl: PluginConfigItem<string>;
15
+ DefaultServerType: PluginConfigItem<"pdb">;
16
+ };
17
+ export declare function getTunnelsConfig(plugin: PluginContext): {
18
+ [key in keyof typeof TunnelsServerConfig]: NonNullable<typeof TunnelsServerConfig[key]['defaultValue']>;
19
+ };
@@ -0,0 +1,26 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.TunnelsServerConfig = exports.TunnelsDataParams = exports.TunnelsData = void 0;
4
+ exports.getTunnelsConfig = getTunnelsConfig;
5
+ const config_1 = require("../../../mol-plugin/config");
6
+ const param_definition_1 = require("../../../mol-util/param-definition");
7
+ var TunnelsData;
8
+ (function (TunnelsData) {
9
+ TunnelsData.DefaultServerUrl = 'https://channelsdb2.biodata.ceitec.cz/api';
10
+ TunnelsData.DefaultServerType = 'pdb';
11
+ })(TunnelsData || (exports.TunnelsData = TunnelsData = {}));
12
+ exports.TunnelsDataParams = {
13
+ serverType: param_definition_1.ParamDefinition.Select('pdb', [['pdb', 'pdb']]),
14
+ serverUrl: param_definition_1.ParamDefinition.Text(TunnelsData.DefaultServerUrl)
15
+ };
16
+ exports.TunnelsServerConfig = {
17
+ DefaultServerUrl: new config_1.PluginConfigItem('channelsdb-server', 'https://channelsdb2.biodata.ceitec.cz/api'),
18
+ DefaultServerType: new config_1.PluginConfigItem('serverType', 'pdb')
19
+ };
20
+ function getTunnelsConfig(plugin) {
21
+ var _a, _b, _c, _d;
22
+ return {
23
+ DefaultServerUrl: (_b = (_a = plugin.config.get(exports.TunnelsServerConfig.DefaultServerUrl)) !== null && _a !== void 0 ? _a : exports.TunnelsServerConfig.DefaultServerUrl.defaultValue) !== null && _b !== void 0 ? _b : TunnelsData.DefaultServerUrl,
24
+ DefaultServerType: (_d = (_c = plugin.config.get(exports.TunnelsServerConfig.DefaultServerType)) !== null && _c !== void 0 ? _c : exports.TunnelsServerConfig.DefaultServerType.defaultValue) !== null && _d !== void 0 ? _d : TunnelsData.DefaultServerType,
25
+ };
26
+ }
@@ -0,0 +1,29 @@
1
+ /**
2
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
5
+ */
6
+ import { PluginStateObject } from '../../../mol-plugin-state/objects';
7
+ import { StateTransformer } from '../../../mol-state';
8
+ import { TunnelStateObject, Tunnel, TunnelsStateObject } from './data-model';
9
+ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
10
+ export declare const TunnelsFromRawData: StateTransformer<PluginStateObject.Root, TunnelsStateObject, PD.Normalize<{
11
+ data: Tunnel[];
12
+ }>>;
13
+ export declare const SelectTunnel: StateTransformer<TunnelsStateObject, TunnelStateObject, PD.Normalize<{
14
+ index: number;
15
+ }>>;
16
+ export declare const TunnelFromRawData: StateTransformer<PluginStateObject.Root, TunnelStateObject, PD.Normalize<{
17
+ data: Tunnel;
18
+ }>>;
19
+ export declare const TunnelShapeProvider: StateTransformer<TunnelStateObject, PluginStateObject.Shape.Provider, PD.Normalize<{
20
+ webgl: import("../../../mol-gl/webgl/context").WebGLContext | null;
21
+ colorTheme: import("../../../mol-util/color").Color;
22
+ visual: PD.NamedParams<PD.Normalize<{
23
+ resolution: any;
24
+ }>, "spheres"> | PD.NamedParams<PD.Normalize<{
25
+ resolution: any;
26
+ }>, "mesh">;
27
+ samplingRate: number;
28
+ showRadii: boolean;
29
+ }>>;
@@ -0,0 +1,99 @@
1
+ "use strict";
2
+ /**
3
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
+ *
5
+ * @author Dušan Veľký <dvelky@mail.muni.cz>
6
+ */
7
+ Object.defineProperty(exports, "__esModule", { value: true });
8
+ exports.TunnelShapeProvider = exports.TunnelFromRawData = exports.SelectTunnel = exports.TunnelsFromRawData = void 0;
9
+ const objects_1 = require("../../../mol-plugin-state/objects");
10
+ const mol_state_1 = require("../../../mol-state");
11
+ const data_model_1 = require("./data-model");
12
+ const param_definition_1 = require("../../../mol-util/param-definition");
13
+ const mesh_1 = require("../../../mol-geo/geometry/mesh/mesh");
14
+ const mol_task_1 = require("../../../mol-task");
15
+ const algorithm_1 = require("./algorithm");
16
+ const Transform = mol_state_1.StateTransformer.builderFactory('sb-ncbr-tunnels');
17
+ exports.TunnelsFromRawData = Transform({
18
+ name: 'sb-ncbr-tunnels-from-data',
19
+ display: { name: 'Tunnels' },
20
+ from: objects_1.PluginStateObject.Root,
21
+ to: data_model_1.TunnelsStateObject,
22
+ params: {
23
+ data: param_definition_1.ParamDefinition.Value([]),
24
+ },
25
+ })({
26
+ apply({ params }) {
27
+ return new data_model_1.TunnelsStateObject({ tunnels: params.data });
28
+ },
29
+ });
30
+ exports.SelectTunnel = Transform({
31
+ name: 'sb-ncbr-tunnel-from-tunnels',
32
+ display: { name: 'Tunnel Selection' },
33
+ from: data_model_1.TunnelsStateObject,
34
+ to: data_model_1.TunnelStateObject,
35
+ params: a => {
36
+ return {
37
+ index: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: a.data.tunnels.length - 1, step: 1 })
38
+ };
39
+ }
40
+ })({
41
+ apply({ a, params }) {
42
+ return new data_model_1.TunnelStateObject({ tunnel: a.data.tunnels[params.index] });
43
+ }
44
+ });
45
+ exports.TunnelFromRawData = Transform({
46
+ name: 'sb-ncbr-tunnel-from-data',
47
+ display: { name: 'Tunnel Entry' },
48
+ from: objects_1.PluginStateObject.Root,
49
+ to: data_model_1.TunnelStateObject,
50
+ params: {
51
+ data: param_definition_1.ParamDefinition.Value(undefined, { isHidden: true })
52
+ },
53
+ })({
54
+ apply({ params }) {
55
+ return new data_model_1.TunnelStateObject({ tunnel: params.data });
56
+ },
57
+ });
58
+ exports.TunnelShapeProvider = Transform({
59
+ name: 'sb-ncbr-tunnel-shape-provider',
60
+ display: { name: 'Tunnel' },
61
+ from: data_model_1.TunnelStateObject,
62
+ to: objects_1.PluginStateObject.Shape.Provider,
63
+ params: a => { return data_model_1.TunnelShapeParams; },
64
+ })({
65
+ apply({ a, params }) {
66
+ return mol_task_1.Task.create('Tunnel Shape Representation', async (ctx) => {
67
+ var _a, _b;
68
+ return new objects_1.PluginStateObject.Shape.Provider({
69
+ label: 'Surface',
70
+ data: { params, data: a.data },
71
+ params: mesh_1.Mesh.Params,
72
+ geometryUtils: mesh_1.Mesh.Utils,
73
+ getShape: (_, data, __, mesh) => {
74
+ if (data.params.visual.name === 'mesh' && !data.params.showRadii) {
75
+ return (0, algorithm_1.createTunnelShape)({
76
+ tunnel: data.data.tunnel,
77
+ color: data.params.colorTheme,
78
+ resolution: data.params.visual.params.resolution,
79
+ sampleRate: data.params.samplingRate,
80
+ webgl: data.params.webgl, prev: mesh
81
+ });
82
+ }
83
+ return (0, algorithm_1.createSpheresShape)({
84
+ tunnel: data.data.tunnel,
85
+ color: data.params.colorTheme,
86
+ resolution: data.params.visual.params.resolution,
87
+ sampleRate: data.params.samplingRate,
88
+ showRadii: data.params.showRadii, prev: mesh
89
+ });
90
+ }
91
+ }, {
92
+ label: (_a = a.data.tunnel.props.label) !== null && _a !== void 0 ? _a : 'Tunnel',
93
+ description: ((_b = a.data.tunnel.props.description) !== null && _b !== void 0 ? _b : (a.data.tunnel.props.type && a.data.tunnel.props.id))
94
+ ? `${a.data.tunnel.props.type} ${a.data.tunnel.props.id}`
95
+ : '',
96
+ });
97
+ });
98
+ },
99
+ });
@@ -37,16 +37,16 @@ export declare namespace VolsegEntryParamValues {
37
37
  declare const VolsegEntry_base: {
38
38
  new (data: VolsegEntryData, props?: {
39
39
  label: string;
40
- description?: string | undefined;
40
+ description?: string;
41
41
  } | undefined): {
42
42
  id: import("../../mol-util").UUID;
43
43
  type: PluginStateObject.TypeInfo;
44
44
  label: string;
45
- description?: string | undefined;
45
+ description?: string;
46
46
  data: VolsegEntryData;
47
47
  };
48
48
  type: PluginStateObject.TypeInfo;
49
- is(obj?: import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>> | undefined): obj is import("../../mol-state").StateObject<VolsegEntryData, PluginStateObject.TypeInfo>;
49
+ is(obj?: import("../../mol-state").StateObject): obj is import("../../mol-state").StateObject<VolsegEntryData, PluginStateObject.TypeInfo>;
50
50
  };
51
51
  export declare class VolsegEntry extends VolsegEntry_base {
52
52
  }
@@ -5,7 +5,9 @@
5
5
  * @author Adam Midlik <midlik@gmail.com>
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
- exports.VolsegEntryData = exports.VolsegEntry = exports.VolsegEntryParamValues = exports.createVolsegEntryParams = exports.createLoadVolsegParams = exports.BOX = exports.MAX_VOXELS = void 0;
8
+ exports.VolsegEntryData = exports.VolsegEntry = exports.VolsegEntryParamValues = exports.BOX = exports.MAX_VOXELS = void 0;
9
+ exports.createLoadVolsegParams = createLoadVolsegParams;
10
+ exports.createVolsegEntryParams = createVolsegEntryParams;
9
11
  const tslib_1 = require("tslib");
10
12
  const rxjs_1 = require("rxjs");
11
13
  const _1 = require(".");
@@ -42,7 +44,6 @@ function createLoadVolsegParams(plugin, entrylists = {}) {
42
44
  source: param_definition_1.ParamDefinition.Mapped(SourceChoice.values[0], SourceChoice.options, src => entryParam(entrylists[src])),
43
45
  };
44
46
  }
45
- exports.createLoadVolsegParams = createLoadVolsegParams;
46
47
  function entryParam(entries = []) {
47
48
  const options = entries.map(e => [e, e]);
48
49
  options.push(['__custom__', 'Custom']);
@@ -60,7 +61,6 @@ function createVolsegEntryParams(plugin) {
60
61
  entryId: param_definition_1.ParamDefinition.Text('emd-1832', { description: 'Entry identifier, including the source prefix, e.g. "emd-1832"' }),
61
62
  };
62
63
  }
63
- exports.createVolsegEntryParams = createVolsegEntryParams;
64
64
  var VolsegEntryParamValues;
65
65
  (function (VolsegEntryParamValues) {
66
66
  function fromLoadVolsegParamValues(params) {
@@ -39,12 +39,12 @@ declare const VolsegState_base: {
39
39
  }>>;
40
40
  }>, props?: {
41
41
  label: string;
42
- description?: string | undefined;
42
+ description?: string;
43
43
  } | undefined): {
44
44
  id: import("../../mol-util").UUID;
45
45
  type: PluginStateObject.TypeInfo;
46
46
  label: string;
47
- description?: string | undefined;
47
+ description?: string;
48
48
  data: PD.Values<{
49
49
  volumeType: PD.Select<"off" | "direct-volume" | "isosurface">;
50
50
  volumeIsovalueKind: PD.Select<string>;
@@ -61,7 +61,7 @@ declare const VolsegState_base: {
61
61
  }>;
62
62
  };
63
63
  type: PluginStateObject.TypeInfo;
64
- is(obj?: import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>> | undefined): obj is import("../../mol-state").StateObject<PD.Values<{
64
+ is(obj?: import("../../mol-state").StateObject): obj is import("../../mol-state").StateObject<PD.Values<{
65
65
  volumeType: PD.Select<"off" | "direct-volume" | "isosurface">;
66
66
  volumeIsovalueKind: PD.Select<string>;
67
67
  volumeIsovalueValue: PD.Numeric;
@@ -5,7 +5,8 @@
5
5
  * @author Adam Midlik <midlik@gmail.com>
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
- exports.getPdbIdsForEmdbEntry = exports.tryGetIsovalue = void 0;
8
+ exports.tryGetIsovalue = tryGetIsovalue;
9
+ exports.getPdbIdsForEmdbEntry = getPdbIdsForEmdbEntry;
9
10
  const helpers_1 = require("./helpers");
10
11
  /** Try to get author-defined contour value for isosurface from EMDB API. Return relative value 1.0, if not applicable or fails. */
11
12
  async function tryGetIsovalue(entryId) {
@@ -29,7 +30,6 @@ async function tryGetIsovalue(entryId) {
29
30
  }
30
31
  return undefined;
31
32
  }
32
- exports.tryGetIsovalue = tryGetIsovalue;
33
33
  async function getPdbIdsForEmdbEntry(entryId) {
34
34
  var _a, _b, _c;
35
35
  const split = (0, helpers_1.splitEntryId)(entryId);
@@ -54,4 +54,3 @@ async function getPdbIdsForEmdbEntry(entryId) {
54
54
  }
55
55
  return result;
56
56
  }
57
- exports.getPdbIdsForEmdbEntry = getPdbIdsForEmdbEntry;