molstar 3.0.0-dev.6 → 3.0.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (734) hide show
  1. package/README.md +7 -0
  2. package/build/viewer/index.html +4 -0
  3. package/build/viewer/molstar.js +1 -1
  4. package/lib/apps/viewer/app.d.ts +230 -0
  5. package/lib/apps/viewer/app.js +525 -0
  6. package/lib/apps/viewer/index.d.ts +2 -224
  7. package/lib/apps/viewer/index.html +4 -0
  8. package/lib/apps/viewer/index.js +2 -507
  9. package/lib/commonjs/apps/viewer/app.d.ts +230 -0
  10. package/lib/commonjs/apps/viewer/app.js +531 -0
  11. package/lib/commonjs/apps/viewer/index.d.ts +2 -224
  12. package/lib/commonjs/apps/viewer/index.js +2 -510
  13. package/lib/commonjs/examples/alpha-orbitals/index.js +1 -1
  14. package/lib/commonjs/examples/basic-wrapper/index.js +7 -3
  15. package/lib/commonjs/examples/proteopedia-wrapper/index.js +7 -1
  16. package/lib/commonjs/extensions/anvil/behavior.d.ts +4 -0
  17. package/lib/commonjs/extensions/anvil/representation.d.ts +50 -0
  18. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  19. package/lib/commonjs/extensions/cellpack/representation.d.ts +10 -0
  20. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +30 -0
  21. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +4 -4
  22. package/lib/commonjs/extensions/model-export/export.d.ts +9 -0
  23. package/lib/commonjs/extensions/model-export/export.js +129 -0
  24. package/lib/commonjs/extensions/model-export/index.d.ts +7 -0
  25. package/lib/commonjs/extensions/model-export/index.js +36 -0
  26. package/lib/commonjs/extensions/model-export/ui.d.ts +11 -0
  27. package/lib/commonjs/extensions/model-export/ui.js +77 -0
  28. package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
  29. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -2
  30. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +10 -0
  31. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +2 -2
  32. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +50 -0
  33. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +15 -13
  34. package/lib/commonjs/mol-canvas3d/canvas3d.js +34 -29
  35. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
  36. package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
  37. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
  38. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +4 -0
  39. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  40. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +4 -0
  41. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  42. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  43. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
  44. package/lib/commonjs/mol-canvas3d/passes/draw.js +16 -15
  45. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
  46. package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
  47. package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
  48. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +9 -2
  49. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +14 -12
  50. package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
  51. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +3 -3
  52. package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
  53. package/lib/commonjs/mol-geo/geometry/base.d.ts +18 -0
  54. package/lib/commonjs/mol-geo/geometry/base.js +18 -1
  55. package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
  56. package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
  57. package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
  58. package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
  59. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +10 -0
  60. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
  61. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +15 -38
  62. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +21 -66
  63. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
  64. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
  65. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +10 -0
  66. package/lib/commonjs/mol-geo/geometry/image/image.js +1 -1
  67. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +10 -0
  68. package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
  69. package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
  70. package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
  71. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +10 -0
  72. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
  73. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +10 -0
  74. package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
  75. package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
  76. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +10 -0
  77. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
  78. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +10 -0
  79. package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
  80. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +10 -0
  81. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
  82. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
  83. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
  84. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -9
  85. package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
  86. package/lib/commonjs/mol-gl/render-object.js +10 -10
  87. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +11 -5
  88. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  89. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +15 -14
  90. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  91. package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -4
  92. package/lib/commonjs/mol-gl/renderable/image.js +2 -2
  93. package/lib/commonjs/mol-gl/renderable/lines.d.ts +39 -33
  94. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  95. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +11 -5
  96. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  97. package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -4
  98. package/lib/commonjs/mol-gl/renderable/points.js +2 -2
  99. package/lib/commonjs/mol-gl/renderable/schema.d.ts +10 -11
  100. package/lib/commonjs/mol-gl/renderable/schema.js +4 -10
  101. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +11 -5
  102. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  103. package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -4
  104. package/lib/commonjs/mol-gl/renderable/text.js +2 -2
  105. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +11 -6
  106. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  107. package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
  108. package/lib/commonjs/mol-gl/renderer.d.ts +12 -12
  109. package/lib/commonjs/mol-gl/renderer.js +23 -92
  110. package/lib/commonjs/mol-gl/scene.d.ts +2 -2
  111. package/lib/commonjs/mol-gl/scene.js +7 -5
  112. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +1 -1
  113. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +1 -1
  114. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  115. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  116. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
  117. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
  118. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
  119. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
  120. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  121. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  122. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
  123. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
  124. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
  125. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
  126. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  127. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  128. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  129. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  130. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  131. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
  132. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
  133. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
  134. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
  135. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
  136. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
  137. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
  138. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
  139. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
  140. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  141. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  142. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  143. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  144. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
  145. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
  146. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
  147. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
  148. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  149. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  150. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
  151. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
  152. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  153. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  154. package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
  155. package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
  156. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  157. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  158. package/lib/commonjs/mol-gl/shader-code.d.ts +3 -1
  159. package/lib/commonjs/mol-gl/shader-code.js +43 -14
  160. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
  161. package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
  162. package/lib/commonjs/mol-gl/webgl/resources.js +8 -1
  163. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  164. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
  165. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  166. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
  167. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +2 -2
  168. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
  169. package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
  170. package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
  171. package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
  172. package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
  173. package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
  174. package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
  175. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +6 -0
  176. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +9 -0
  177. package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +3 -1
  178. package/lib/commonjs/mol-io/reader/sdf/parser.js +11 -2
  179. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +9 -2
  180. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
  181. package/lib/commonjs/mol-math/geometry/symmetry-operator.d.ts +1 -1
  182. package/lib/commonjs/mol-math/geometry/symmetry-operator.js +10 -4
  183. package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
  184. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
  185. package/lib/commonjs/mol-model/structure/export/mmcif.d.ts +1 -1
  186. package/lib/commonjs/mol-model/structure/export/mmcif.js +8 -5
  187. package/lib/commonjs/mol-model/structure/model/properties/common.d.ts +1 -1
  188. package/lib/commonjs/mol-model/structure/structure/element/stats.js +8 -0
  189. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -0
  190. package/lib/commonjs/mol-model/structure/structure/properties.js +2 -1
  191. package/lib/commonjs/mol-model/structure/structure/symmetry.js +1 -3
  192. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
  193. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +11 -2
  194. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
  195. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +20 -10
  196. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  197. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +21 -11
  198. package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
  199. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +20 -0
  200. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +2 -2
  201. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +6 -6
  202. package/lib/commonjs/mol-model-formats/structure/basic/coarse.d.ts +1 -1
  203. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  204. package/lib/commonjs/mol-model-formats/structure/basic/entities.d.ts +2 -1
  205. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +28 -24
  206. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +17 -8
  207. package/lib/commonjs/mol-model-formats/structure/basic/properties.d.ts +6 -1
  208. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +12 -22
  209. package/lib/commonjs/mol-model-formats/structure/mol.d.ts +2 -1
  210. package/lib/commonjs/mol-model-formats/structure/mol.js +19 -5
  211. package/lib/commonjs/mol-model-formats/structure/mol2.d.ts +1 -1
  212. package/lib/commonjs/mol-model-formats/structure/mol2.js +37 -7
  213. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  214. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
  215. package/lib/commonjs/mol-model-props/common/custom-property.d.ts +1 -1
  216. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
  217. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
  218. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
  219. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +30 -0
  220. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
  221. package/lib/commonjs/mol-model-props/sequence/best-database-mapping.js +15 -15
  222. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -0
  223. package/lib/commonjs/mol-plugin/animation-loop.js +1 -1
  224. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +4 -6
  225. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
  226. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
  227. package/lib/commonjs/mol-plugin/commands.d.ts +7 -6
  228. package/lib/commonjs/mol-plugin/config.d.ts +1 -2
  229. package/lib/commonjs/mol-plugin/config.js +4 -25
  230. package/lib/commonjs/mol-plugin/features.d.ts +9 -0
  231. package/lib/commonjs/mol-plugin/features.js +38 -0
  232. package/lib/commonjs/mol-plugin/spec.d.ts +1 -1
  233. package/lib/commonjs/mol-plugin/spec.js +4 -1
  234. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +12 -0
  235. package/lib/commonjs/mol-plugin-state/actions/file.d.ts +3 -2
  236. package/lib/commonjs/mol-plugin-state/actions/file.js +67 -31
  237. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -0
  238. package/lib/commonjs/mol-plugin-state/actions/structure.js +41 -8
  239. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  240. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +62 -0
  241. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  242. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
  243. package/lib/commonjs/mol-plugin-state/animation/model.d.ts +4 -0
  244. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
  245. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
  246. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
  247. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +74 -2
  248. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
  249. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +1 -1
  250. package/lib/commonjs/mol-plugin-state/manager/animation.d.ts +5 -1
  251. package/lib/commonjs/mol-plugin-state/manager/animation.js +5 -5
  252. package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +13 -1
  253. package/lib/commonjs/mol-plugin-state/manager/structure/component.js +13 -8
  254. package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -1
  255. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +32 -0
  256. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  257. package/lib/commonjs/mol-plugin-ui/structure/superposition.js +2 -2
  258. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
  259. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -14
  260. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +10 -0
  261. package/lib/commonjs/mol-repr/shape/loci/common.d.ts +10 -0
  262. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +10 -0
  263. package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +10 -0
  264. package/lib/commonjs/mol-repr/shape/loci/label.d.ts +10 -0
  265. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +10 -0
  266. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +10 -0
  267. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +10 -0
  268. package/lib/commonjs/mol-repr/structure/complex-representation.js +1 -1
  269. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +61 -19
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  554. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +21 -11
  555. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  556. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +22 -12
  557. package/lib/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
  558. package/lib/mol-model-formats/shape/ply.d.ts +20 -0
  559. package/lib/mol-model-formats/structure/basic/atomic.d.ts +2 -2
  560. package/lib/mol-model-formats/structure/basic/atomic.js +6 -6
  561. package/lib/mol-model-formats/structure/basic/coarse.d.ts +1 -1
  562. package/lib/mol-model-formats/structure/basic/coarse.js +3 -3
  563. package/lib/mol-model-formats/structure/basic/entities.d.ts +2 -1
  564. package/lib/mol-model-formats/structure/basic/entities.js +25 -22
  565. package/lib/mol-model-formats/structure/basic/parser.js +19 -10
  566. package/lib/mol-model-formats/structure/basic/properties.d.ts +6 -1
  567. package/lib/mol-model-formats/structure/basic/properties.js +12 -25
  568. package/lib/mol-model-formats/structure/mol.d.ts +2 -1
  569. package/lib/mol-model-formats/structure/mol.js +17 -3
  570. package/lib/mol-model-formats/structure/mol2.d.ts +1 -1
  571. package/lib/mol-model-formats/structure/mol2.js +37 -7
  572. package/lib/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  573. package/lib/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
  574. package/lib/mol-model-props/common/custom-property.d.ts +1 -1
  575. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
  576. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
  577. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
  578. package/lib/mol-model-props/computed/representations/interactions.d.ts +30 -0
  579. package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
  580. package/lib/mol-model-props/sequence/best-database-mapping.js +15 -15
  581. package/lib/mol-plugin/animation-loop.d.ts +2 -0
  582. package/lib/mol-plugin/animation-loop.js +1 -1
  583. package/lib/mol-plugin/behavior/dynamic/representation.js +4 -6
  584. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
  585. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
  586. package/lib/mol-plugin/commands.d.ts +7 -6
  587. package/lib/mol-plugin/config.d.ts +1 -2
  588. package/lib/mol-plugin/config.js +3 -23
  589. package/lib/mol-plugin/features.d.ts +9 -0
  590. package/lib/mol-plugin/features.js +35 -0
  591. package/lib/mol-plugin/spec.d.ts +1 -1
  592. package/lib/mol-plugin/spec.js +4 -1
  593. package/lib/mol-plugin/util/viewport-screenshot.d.ts +12 -0
  594. package/lib/mol-plugin/version.js +2 -2
  595. package/lib/mol-plugin-state/actions/file.d.ts +3 -2
  596. package/lib/mol-plugin-state/actions/file.js +67 -31
  597. package/lib/mol-plugin-state/actions/structure.d.ts +1 -0
  598. package/lib/mol-plugin-state/actions/structure.js +41 -8
  599. package/lib/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  600. package/lib/mol-plugin-state/animation/built-in/camera-rock.js +59 -0
  601. package/lib/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  602. package/lib/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
  603. package/lib/mol-plugin-state/animation/model.d.ts +4 -0
  604. package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
  605. package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
  606. package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
  607. package/lib/mol-plugin-state/builder/structure/representation-preset.js +74 -2
  608. package/lib/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
  609. package/lib/mol-plugin-state/helpers/structure-clipping.js +1 -1
  610. package/lib/mol-plugin-state/manager/animation.d.ts +5 -1
  611. package/lib/mol-plugin-state/manager/animation.js +5 -5
  612. package/lib/mol-plugin-state/manager/structure/component.d.ts +13 -1
  613. package/lib/mol-plugin-state/manager/structure/component.js +13 -8
  614. package/lib/mol-plugin-state/manager/structure/selection.js +3 -1
  615. package/lib/mol-plugin-state/transforms/representation.d.ts +32 -0
  616. package/lib/mol-plugin-state/transforms/representation.js +2 -2
  617. package/lib/mol-plugin-ui/structure/superposition.js +2 -2
  618. package/lib/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
  619. package/lib/mol-plugin-ui/viewport/simple-settings.js +6 -14
  620. package/lib/mol-repr/shape/loci/angle.d.ts +10 -0
  621. package/lib/mol-repr/shape/loci/common.d.ts +10 -0
  622. package/lib/mol-repr/shape/loci/dihedral.d.ts +10 -0
  623. package/lib/mol-repr/shape/loci/distance.d.ts +10 -0
  624. package/lib/mol-repr/shape/loci/label.d.ts +10 -0
  625. package/lib/mol-repr/shape/loci/orientation.d.ts +10 -0
  626. package/lib/mol-repr/shape/loci/plane.d.ts +10 -0
  627. package/lib/mol-repr/shape/model/unitcell.d.ts +10 -0
  628. package/lib/mol-repr/structure/complex-representation.js +1 -1
  629. package/lib/mol-repr/structure/complex-visual.d.ts +61 -19
  630. package/lib/mol-repr/structure/params.d.ts +81 -19
  631. package/lib/mol-repr/structure/registry.d.ts +141 -19
  632. package/lib/mol-repr/structure/representation/backbone.d.ts +30 -0
  633. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +30 -0
  634. package/lib/mol-repr/structure/representation/carbohydrate.d.ts +30 -0
  635. package/lib/mol-repr/structure/representation/cartoon.d.ts +30 -0
  636. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +30 -0
  637. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +30 -0
  638. package/lib/mol-repr/structure/representation/gaussian-surface.js +1 -1
  639. package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +34 -58
  640. package/lib/mol-repr/structure/representation/gaussian-volume.js +2 -7
  641. package/lib/mol-repr/structure/representation/label.d.ts +30 -0
  642. package/lib/mol-repr/structure/representation/label.js +1 -1
  643. package/lib/mol-repr/structure/representation/line.d.ts +30 -0
  644. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +30 -0
  645. package/lib/mol-repr/structure/representation/molecular-surface.js +1 -1
  646. package/lib/mol-repr/structure/representation/orientation.d.ts +30 -0
  647. package/lib/mol-repr/structure/representation/point.d.ts +30 -0
  648. package/lib/mol-repr/structure/representation/putty.d.ts +30 -0
  649. package/lib/mol-repr/structure/representation/spacefill.d.ts +30 -0
  650. package/lib/mol-repr/structure/units-representation.js +1 -1
  651. package/lib/mol-repr/structure/units-visual.d.ts +81 -19
  652. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +20 -0
  653. package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +10 -0
  654. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +20 -0
  655. package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +10 -0
  656. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +11 -1
  657. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +8 -4
  658. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +11 -1
  659. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +10 -6
  660. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +11 -1
  661. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +8 -4
  662. package/lib/mol-repr/structure/visual/element-cross.d.ts +10 -0
  663. package/lib/mol-repr/structure/visual/element-point.d.ts +10 -0
  664. package/lib/mol-repr/structure/visual/element-sphere.d.ts +20 -0
  665. package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +10 -0
  666. package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +22 -38
  667. package/lib/mol-repr/structure/visual/gaussian-density-volume.js +8 -6
  668. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +40 -0
  669. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +11 -8
  670. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +10 -0
  671. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +1 -1
  672. package/lib/mol-repr/structure/visual/label-text.d.ts +10 -0
  673. package/lib/mol-repr/structure/visual/label-text.js +1 -2
  674. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +10 -0
  675. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +1 -1
  676. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +10 -0
  677. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +1 -1
  678. package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +10 -0
  679. package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +10 -0
  680. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +10 -0
  681. package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +20 -0
  682. package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +20 -0
  683. package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +10 -0
  684. package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +10 -0
  685. package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +10 -0
  686. package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +10 -0
  687. package/lib/mol-repr/structure/visual/util/common.d.ts +3 -2
  688. package/lib/mol-repr/structure/visual/util/common.js +2 -5
  689. package/lib/mol-repr/structure/visual/util/gaussian.d.ts +7 -6
  690. package/lib/mol-repr/structure/visual/util/gaussian.js +12 -12
  691. package/lib/mol-repr/structure/visual/util/molecular-surface.d.ts +2 -1
  692. package/lib/mol-repr/structure/visual/util/molecular-surface.js +4 -4
  693. package/lib/mol-repr/visual.d.ts +1 -1
  694. package/lib/mol-repr/visual.js +13 -8
  695. package/lib/mol-repr/volume/direct-volume.d.ts +33 -57
  696. package/lib/mol-repr/volume/direct-volume.js +8 -12
  697. package/lib/mol-repr/volume/isosurface.d.ts +60 -0
  698. package/lib/mol-repr/volume/isosurface.js +11 -2
  699. package/lib/mol-repr/volume/registry.d.ts +31 -19
  700. package/lib/mol-repr/volume/representation.d.ts +10 -0
  701. package/lib/mol-repr/volume/slice.d.ts +30 -0
  702. package/lib/mol-repr/volume/slice.js +2 -2
  703. package/lib/mol-repr/volume/util.js +2 -2
  704. package/lib/mol-state/tree/immutable.d.ts +18 -0
  705. package/lib/mol-state/tree/transient.d.ts +3 -4
  706. package/lib/mol-theme/clipping.d.ts +7 -15
  707. package/lib/mol-theme/clipping.js +5 -12
  708. package/lib/mol-theme/color/element-symbol.d.ts +243 -1
  709. package/lib/mol-theme/color/element-symbol.js +10 -5
  710. package/lib/mol-theme/color/entity-id.d.ts +1 -1
  711. package/lib/mol-theme/color/entity-id.js +26 -5
  712. package/lib/mol-theme/color/illustrative.d.ts +100 -29
  713. package/lib/mol-theme/color/illustrative.js +26 -7
  714. package/lib/mol-theme/color/molecule-type.d.ts +19 -1
  715. package/lib/mol-theme/color/molecule-type.js +10 -5
  716. package/lib/mol-theme/color/residue-name.d.ts +77 -1
  717. package/lib/mol-theme/color/residue-name.js +10 -5
  718. package/lib/mol-theme/color/secondary-structure.d.ts +27 -1
  719. package/lib/mol-theme/color/secondary-structure.js +10 -5
  720. package/lib/mol-theme/color/volume-value.d.ts +17 -0
  721. package/lib/mol-theme/color/volume-value.js +52 -0
  722. package/lib/mol-theme/color.d.ts +233 -14
  723. package/lib/mol-theme/color.js +2 -0
  724. package/lib/mol-util/clip.d.ts +49 -0
  725. package/lib/mol-util/clip.js +93 -0
  726. package/lib/mol-util/color/color.d.ts +1 -1
  727. package/lib/mol-util/color/color.js +1 -1
  728. package/lib/mol-util/color/params.d.ts +10 -0
  729. package/lib/mol-util/color/params.js +15 -0
  730. package/lib/mol-util/number-packing.d.ts +11 -0
  731. package/lib/mol-util/{float-packing.js → number-packing.js} +7 -14
  732. package/package.json +36 -35
  733. package/lib/commonjs/mol-util/float-packing.d.ts +0 -15
  734. package/lib/mol-util/float-packing.d.ts +0 -15
@@ -27,6 +27,16 @@ declare const BilayerPlanesParams: {
27
27
  roughness: number;
28
28
  bumpiness: number;
29
29
  }>>;
30
+ clip: PD.Group<PD.Normalize<{
31
+ variant: import("../../mol-util/clip").Clip.Variant;
32
+ objects: PD.Normalize<{
33
+ type: any;
34
+ invert: any;
35
+ position: any;
36
+ rotation: any;
37
+ scale: any;
38
+ }>[];
39
+ }>>;
30
40
  };
31
41
  export declare type BilayerPlanesParams = typeof BilayerPlanesParams;
32
42
  export declare type BilayerPlanesProps = PD.Values<BilayerPlanesParams>;
@@ -44,6 +54,16 @@ declare const BilayerRimsParams: {
44
54
  roughness: number;
45
55
  bumpiness: number;
46
56
  }>>;
57
+ clip: PD.Group<PD.Normalize<{
58
+ variant: import("../../mol-util/clip").Clip.Variant;
59
+ objects: PD.Normalize<{
60
+ type: any;
61
+ invert: any;
62
+ position: any;
63
+ rotation: any;
64
+ scale: any;
65
+ }>[];
66
+ }>>;
47
67
  };
48
68
  export declare type BilayerRimsParams = typeof BilayerRimsParams;
49
69
  export declare type BilayerRimsProps = PD.Values<BilayerRimsParams>;
@@ -62,6 +82,16 @@ export declare const MembraneOrientationParams: {
62
82
  roughness: number;
63
83
  bumpiness: number;
64
84
  }>>;
85
+ clip: PD.Group<PD.Normalize<{
86
+ variant: import("../../mol-util/clip").Clip.Variant;
87
+ objects: PD.Normalize<{
88
+ type: any;
89
+ invert: any;
90
+ position: any;
91
+ rotation: any;
92
+ scale: any;
93
+ }>[];
94
+ }>>;
65
95
  sectorOpacity: PD.Numeric;
66
96
  doubleSided: PD.BooleanParam;
67
97
  flipSided: PD.BooleanParam;
@@ -88,6 +118,16 @@ export declare function getMembraneOrientationParams(ctx: ThemeRegistryContext,
88
118
  roughness: number;
89
119
  bumpiness: number;
90
120
  }>>;
121
+ clip: PD.Group<PD.Normalize<{
122
+ variant: import("../../mol-util/clip").Clip.Variant;
123
+ objects: PD.Normalize<{
124
+ type: any;
125
+ invert: any;
126
+ position: any;
127
+ rotation: any;
128
+ scale: any;
129
+ }>[];
130
+ }>>;
91
131
  sectorOpacity: PD.Numeric;
92
132
  doubleSided: PD.BooleanParam;
93
133
  flipSided: PD.BooleanParam;
@@ -114,6 +154,16 @@ export declare const MembraneOrientationRepresentationProvider: StructureReprese
114
154
  roughness: number;
115
155
  bumpiness: number;
116
156
  }>>;
157
+ clip: PD.Group<PD.Normalize<{
158
+ variant: import("../../mol-util/clip").Clip.Variant;
159
+ objects: PD.Normalize<{
160
+ type: any;
161
+ invert: any;
162
+ position: any;
163
+ rotation: any;
164
+ scale: any;
165
+ }>[];
166
+ }>>;
117
167
  sectorOpacity: PD.Numeric;
118
168
  doubleSided: PD.BooleanParam;
119
169
  flipSided: PD.BooleanParam;
@@ -27,7 +27,7 @@ var SharedParams = {
27
27
  radiusFactor: PD.Numeric(1.2, { min: 0.1, max: 3.0, step: 0.01 }, { description: 'Scale the radius of the membrane layer' })
28
28
  };
29
29
  var BilayerPlanesParams = __assign(__assign(__assign({}, Mesh.Params), SharedParams), { sectorOpacity: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }) });
30
- var BilayerRimsParams = __assign(__assign(__assign({}, Lines.Params), SharedParams), { lineSizeAttenuation: PD.Boolean(true), linesSize: PD.Numeric(0.3, { min: 0.01, max: 50, step: 0.01 }), dashedLines: PD.Boolean(true) });
30
+ var BilayerRimsParams = __assign(__assign(__assign({}, Lines.Params), SharedParams), { lineSizeAttenuation: PD.Boolean(false), linesSize: PD.Numeric(0.5, { min: 0.01, max: 50, step: 0.01 }), dashedLines: PD.Boolean(false) });
31
31
  var MembraneOrientationVisuals = {
32
32
  'bilayer-planes': function (ctx, getParams) { return ShapeRepresentation(getBilayerPlanes, Mesh.Utils, { modifyState: function (s) { return (__assign(__assign({}, s), { markerActions: MarkerActions.Highlighting })); }, modifyProps: function (p) { return (__assign(__assign({}, p), { alpha: p.sectorOpacity, ignoreLight: true, doubleSided: false })); } }); },
33
33
  'bilayer-rims': function (ctx, getParams) { return ShapeRepresentation(getBilayerRims, Lines.Utils, { modifyState: function (s) { return (__assign(__assign({}, s), { markerActions: MarkerActions.Highlighting })); } }); }
@@ -52,6 +52,16 @@ export declare const MBParams: {
52
52
  roughness: number;
53
53
  bumpiness: number;
54
54
  }>>;
55
+ clip: PD.Group<PD.Normalize<{
56
+ variant: import("../../mol-util/clip").Clip.Variant;
57
+ objects: PD.Normalize<{
58
+ type: any;
59
+ invert: any;
60
+ position: any;
61
+ rotation: any;
62
+ scale: any;
63
+ }>[];
64
+ }>>;
55
65
  };
56
66
  export declare type MBParams = typeof MBParams;
57
67
  export declare type UnitcellProps = PD.Values<MBParams>;
@@ -26,6 +26,16 @@ export declare const ConfalPyramidsParams: {
26
26
  roughness: number;
27
27
  bumpiness: number;
28
28
  }>>;
29
+ clip: PD.Group<PD.Normalize<{
30
+ variant: import("../../../mol-util/clip").Clip.Variant;
31
+ objects: PD.Normalize<{
32
+ type: any;
33
+ invert: any;
34
+ position: any;
35
+ rotation: any;
36
+ scale: any;
37
+ }>[];
38
+ }>>;
29
39
  };
30
40
  export declare type ConfalPyramidsParams = typeof ConfalPyramidsParams;
31
41
  export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, structure: Structure): {
@@ -45,6 +55,16 @@ export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, struc
45
55
  roughness: number;
46
56
  bumpiness: number;
47
57
  }>>;
58
+ clip: PD.Group<PD.Normalize<{
59
+ variant: import("../../../mol-util/clip").Clip.Variant;
60
+ objects: PD.Normalize<{
61
+ type: any;
62
+ invert: any;
63
+ position: any;
64
+ rotation: any;
65
+ scale: any;
66
+ }>[];
67
+ }>>;
48
68
  };
49
69
  export declare type ConfalPyramidsRepresentation = StructureRepresentation<ConfalPyramidsParams>;
50
70
  export declare function ConfalPyramidsRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, ConfalPyramidsParams>): ConfalPyramidsRepresentation;
@@ -65,4 +85,14 @@ export declare const ConfalPyramidsRepresentationProvider: StructureRepresentati
65
85
  roughness: number;
66
86
  bumpiness: number;
67
87
  }>>;
88
+ clip: PD.Group<PD.Normalize<{
89
+ variant: import("../../../mol-util/clip").Clip.Variant;
90
+ objects: PD.Normalize<{
91
+ type: any;
92
+ invert: any;
93
+ position: any;
94
+ rotation: any;
95
+ scale: any;
96
+ }>[];
97
+ }>>;
68
98
  }, "confal-pyramids">;
@@ -14,7 +14,7 @@ import { addCylinder } from '../../mol-geo/geometry/mesh/builder/cylinder';
14
14
  import { sizeDataFactor } from '../../mol-geo/geometry/size-data';
15
15
  import { Vec3 } from '../../mol-math/linear-algebra';
16
16
  import { Color } from '../../mol-util/color/color';
17
- import { decodeFloatRGB } from '../../mol-util/float-packing';
17
+ import { unpackRGBToInt } from '../../mol-util/number-packing';
18
18
  import { readAlphaTexture, readTexture } from '../../mol-gl/compute/util';
19
19
  var GeoExportName = 'geo-export';
20
20
  // avoiding namespace lookup improved performance in Chrome (Aug 2020)
@@ -26,7 +26,7 @@ var MeshExporter = /** @class */ (function () {
26
26
  var r = tSize.array[i * 3];
27
27
  var g = tSize.array[i * 3 + 1];
28
28
  var b = tSize.array[i * 3 + 2];
29
- return decodeFloatRGB(r, g, b) / sizeDataFactor;
29
+ return unpackRGBToInt(r, g, b) / sizeDataFactor;
30
30
  };
31
31
  MeshExporter.getSize = function (values, instanceIndex, group) {
32
32
  var tSize = values.tSize.ref.value;
@@ -54,9 +54,9 @@ var MeshExporter = /** @class */ (function () {
54
54
  var g = groups[i4 + 1];
55
55
  var b = groups[i4 + 2];
56
56
  if (groups instanceof Float32Array) {
57
- return decodeFloatRGB(r * 255 + 0.5, g * 255 + 0.5, b * 255 + 0.5);
57
+ return unpackRGBToInt(r * 255 + 0.5, g * 255 + 0.5, b * 255 + 0.5);
58
58
  }
59
- return decodeFloatRGB(r, g, b);
59
+ return unpackRGBToInt(r, g, b);
60
60
  };
61
61
  MeshExporter.getInterpolatedColors = function (webgl, input) {
62
62
  var values = input.values, vertexCount = input.vertexCount, vertices = input.vertices, colorType = input.colorType, stride = input.stride;
@@ -0,0 +1,9 @@
1
+ /**
2
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author David Sehnal <david.sehnal@gmail.com>
5
+ */
6
+ import { PluginContext } from '../../mol-plugin/context';
7
+ export declare function exportHierarchy(plugin: PluginContext, options?: {
8
+ format?: 'cif' | 'bcif';
9
+ }): Promise<void>;
@@ -0,0 +1,125 @@
1
+ /**
2
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author David Sehnal <david.sehnal@gmail.com>
5
+ */
6
+ import { __awaiter, __generator } from "tslib";
7
+ import { utf8ByteCount, utf8Write } from '../../mol-io/common/utf8';
8
+ import { to_mmCIF, Unit } from '../../mol-model/structure';
9
+ import { Task } from '../../mol-task';
10
+ import { getFormattedTime } from '../../mol-util/date';
11
+ import { download } from '../../mol-util/download';
12
+ import { zip } from '../../mol-util/zip/zip';
13
+ export function exportHierarchy(plugin, options) {
14
+ return __awaiter(this, void 0, void 0, function () {
15
+ var e_1;
16
+ return __generator(this, function (_a) {
17
+ switch (_a.label) {
18
+ case 0:
19
+ _a.trys.push([0, 2, , 3]);
20
+ return [4 /*yield*/, plugin.runTask(_exportHierarchy(plugin, options), { useOverlay: true })];
21
+ case 1:
22
+ _a.sent();
23
+ return [3 /*break*/, 3];
24
+ case 2:
25
+ e_1 = _a.sent();
26
+ console.error(e_1);
27
+ plugin.log.error("Model export failed. See console for details.");
28
+ return [3 /*break*/, 3];
29
+ case 3: return [2 /*return*/];
30
+ }
31
+ });
32
+ });
33
+ }
34
+ function _exportHierarchy(plugin, options) {
35
+ var _this = this;
36
+ return Task.create('Export', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
37
+ var format, structures, files, entryMap, _i, structures_1, _s, s, name_1, zipData, _a, files_1, _b, fn, data, bytes, buffer;
38
+ var _c, _d, _e, _f, _g, _h, _j, _k;
39
+ return __generator(this, function (_l) {
40
+ switch (_l.label) {
41
+ case 0: return [4 /*yield*/, ctx.update({ message: 'Exporting...', isIndeterminate: true, canAbort: false })];
42
+ case 1:
43
+ _l.sent();
44
+ format = (_c = options === null || options === void 0 ? void 0 : options.format) !== null && _c !== void 0 ? _c : 'cif';
45
+ structures = plugin.managers.structure.hierarchy.current.structures;
46
+ files = [];
47
+ entryMap = new Map();
48
+ _i = 0, structures_1 = structures;
49
+ _l.label = 2;
50
+ case 2:
51
+ if (!(_i < structures_1.length)) return [3 /*break*/, 7];
52
+ _s = structures_1[_i];
53
+ s = (_f = (_e = (_d = _s.transform) === null || _d === void 0 ? void 0 : _d.cell.obj) === null || _e === void 0 ? void 0 : _e.data) !== null && _f !== void 0 ? _f : (_g = _s.cell.obj) === null || _g === void 0 ? void 0 : _g.data;
54
+ if (!s)
55
+ return [3 /*break*/, 6];
56
+ if (s.models.length > 1) {
57
+ plugin.log.warn("[Export] Skipping ".concat((_h = _s.cell.obj) === null || _h === void 0 ? void 0 : _h.label, ": Multimodel exports not supported."));
58
+ return [3 /*break*/, 6];
59
+ }
60
+ if (s.units.some(function (u) { return !Unit.isAtomic(u); })) {
61
+ plugin.log.warn("[Export] Skipping ".concat((_j = _s.cell.obj) === null || _j === void 0 ? void 0 : _j.label, ": Non-atomic model exports not supported."));
62
+ return [3 /*break*/, 6];
63
+ }
64
+ name_1 = entryMap.has(s.model.entryId)
65
+ ? "".concat(s.model.entryId, "_").concat(entryMap.get(s.model.entryId) + 1, ".").concat(format)
66
+ : "".concat(s.model.entryId, ".").concat(format);
67
+ entryMap.set(s.model.entryId, ((_k = entryMap.get(s.model.entryId)) !== null && _k !== void 0 ? _k : 0) + 1);
68
+ return [4 /*yield*/, ctx.update({ message: "Exporting ".concat(s.model.entryId, "..."), isIndeterminate: true, canAbort: false })];
69
+ case 3:
70
+ _l.sent();
71
+ if (!(s.elementCount > 100000)) return [3 /*break*/, 5];
72
+ // Give UI chance to update, only needed for larger structures.
73
+ return [4 /*yield*/, new Promise(function (res) { return setTimeout(res, 50); })];
74
+ case 4:
75
+ // Give UI chance to update, only needed for larger structures.
76
+ _l.sent();
77
+ _l.label = 5;
78
+ case 5:
79
+ try {
80
+ files.push([name_1, to_mmCIF(s.model.entryId, s, format === 'bcif', { copyAllCategories: true })]);
81
+ }
82
+ catch (e) {
83
+ if (format === 'cif' && s.elementCount > 2000000) {
84
+ plugin.log.warn("[Export] The structure might be too big to be exported as Text CIF, consider using the BinaryCIF format instead.");
85
+ }
86
+ throw e;
87
+ }
88
+ _l.label = 6;
89
+ case 6:
90
+ _i++;
91
+ return [3 /*break*/, 2];
92
+ case 7:
93
+ if (!(files.length === 1)) return [3 /*break*/, 8];
94
+ download(new Blob([files[0][1]]), files[0][0]);
95
+ return [3 /*break*/, 11];
96
+ case 8:
97
+ if (!(files.length > 1)) return [3 /*break*/, 11];
98
+ zipData = {};
99
+ for (_a = 0, files_1 = files; _a < files_1.length; _a++) {
100
+ _b = files_1[_a], fn = _b[0], data = _b[1];
101
+ if (data instanceof Uint8Array) {
102
+ zipData[fn] = data;
103
+ }
104
+ else {
105
+ bytes = new Uint8Array(utf8ByteCount(data));
106
+ utf8Write(bytes, 0, data);
107
+ zipData[fn] = bytes;
108
+ }
109
+ }
110
+ return [4 /*yield*/, ctx.update({ message: "Compressing Data...", isIndeterminate: true, canAbort: false })];
111
+ case 9:
112
+ _l.sent();
113
+ return [4 /*yield*/, zip(ctx, zipData)];
114
+ case 10:
115
+ buffer = _l.sent();
116
+ download(new Blob([new Uint8Array(buffer, 0, buffer.byteLength)]), "structures_".concat(getFormattedTime(), ".zip"));
117
+ _l.label = 11;
118
+ case 11:
119
+ plugin.log.info("[Export] Done.");
120
+ return [2 /*return*/];
121
+ }
122
+ });
123
+ }); });
124
+ }
125
+ //# sourceMappingURL=export.js.map
@@ -0,0 +1,7 @@
1
+ /**
2
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author David Sehnal <david.sehnal@gmail.com>
5
+ */
6
+ import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
7
+ export declare const ModelExport: import("../../mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {}>;
@@ -0,0 +1,33 @@
1
+ /**
2
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author David Sehnal <david.sehnal@gmail.com>
5
+ */
6
+ import { __extends } from "tslib";
7
+ import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
8
+ import { ModelExportUI } from './ui';
9
+ export var ModelExport = PluginBehavior.create({
10
+ name: 'extension-model-export',
11
+ category: 'misc',
12
+ display: {
13
+ name: 'Model Export'
14
+ },
15
+ ctor: /** @class */ (function (_super) {
16
+ __extends(class_1, _super);
17
+ function class_1() {
18
+ return _super !== null && _super.apply(this, arguments) || this;
19
+ }
20
+ class_1.prototype.register = function () {
21
+ this.ctx.customStructureControls.set('model-export', ModelExportUI);
22
+ };
23
+ class_1.prototype.update = function () {
24
+ return false;
25
+ };
26
+ class_1.prototype.unregister = function () {
27
+ this.ctx.customStructureControls.delete('model-export');
28
+ };
29
+ return class_1;
30
+ }(PluginBehavior.Handler)),
31
+ params: function () { return ({}); }
32
+ });
33
+ //# sourceMappingURL=index.js.map
@@ -0,0 +1,11 @@
1
+ /**
2
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author David Sehnal <david.sehnal@gmail.com>
5
+ */
6
+ /// <reference types="react" />
7
+ import { CollapsableControls, CollapsableState } from '../../mol-plugin-ui/base';
8
+ export declare class ModelExportUI extends CollapsableControls<{}, {}> {
9
+ protected defaultState(): CollapsableState;
10
+ protected renderControls(): JSX.Element | null;
11
+ }
@@ -0,0 +1,74 @@
1
+ import { __assign, __awaiter, __extends, __generator } from "tslib";
2
+ import { jsx as _jsx, Fragment as _Fragment, jsxs as _jsxs } from "react/jsx-runtime";
3
+ /**
4
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
5
+ *
6
+ * @author David Sehnal <david.sehnal@gmail.com>
7
+ */
8
+ import { useState } from 'react';
9
+ import { CollapsableControls } from '../../mol-plugin-ui/base';
10
+ import { Button } from '../../mol-plugin-ui/controls/common';
11
+ import { GetAppSvg } from '../../mol-plugin-ui/controls/icons';
12
+ import { ParameterControls } from '../../mol-plugin-ui/controls/parameters';
13
+ import { useBehavior } from '../../mol-plugin-ui/hooks/use-behavior';
14
+ import { ParamDefinition as PD } from '../../mol-util/param-definition';
15
+ import { exportHierarchy } from './export';
16
+ var ModelExportUI = /** @class */ (function (_super) {
17
+ __extends(ModelExportUI, _super);
18
+ function ModelExportUI() {
19
+ return _super !== null && _super.apply(this, arguments) || this;
20
+ }
21
+ ModelExportUI.prototype.defaultState = function () {
22
+ return {
23
+ header: 'Export Models',
24
+ isCollapsed: true,
25
+ brand: { accent: 'cyan', svg: GetAppSvg }
26
+ };
27
+ };
28
+ ModelExportUI.prototype.renderControls = function () {
29
+ return _jsx(ExportControls, { plugin: this.plugin }, void 0);
30
+ };
31
+ return ModelExportUI;
32
+ }(CollapsableControls));
33
+ export { ModelExportUI };
34
+ var Params = {
35
+ format: PD.Select('cif', [['cif', 'mmCIF'], ['bcif', 'Binary mmCIF']])
36
+ };
37
+ var DefaultParams = PD.getDefaultValues(Params);
38
+ function ExportControls(_a) {
39
+ var _this = this;
40
+ var plugin = _a.plugin;
41
+ var _b = useState(DefaultParams), params = _b[0], setParams = _b[1];
42
+ var _c = useState(false), exporting = _c[0], setExporting = _c[1];
43
+ useBehavior(plugin.managers.structure.hierarchy.behaviors.selection); // triggers UI update
44
+ var isBusy = useBehavior(plugin.behaviors.state.isBusy);
45
+ var hierarchy = plugin.managers.structure.hierarchy.current;
46
+ var label = 'Nothing to Export';
47
+ if (hierarchy.structures.length === 1) {
48
+ label = 'Export';
49
+ }
50
+ if (hierarchy.structures.length > 1) {
51
+ label = 'Export (as ZIP)';
52
+ }
53
+ var onExport = function () { return __awaiter(_this, void 0, void 0, function () {
54
+ return __generator(this, function (_a) {
55
+ switch (_a.label) {
56
+ case 0:
57
+ setExporting(true);
58
+ _a.label = 1;
59
+ case 1:
60
+ _a.trys.push([1, , 3, 4]);
61
+ return [4 /*yield*/, exportHierarchy(plugin, { format: params.format })];
62
+ case 2:
63
+ _a.sent();
64
+ return [3 /*break*/, 4];
65
+ case 3:
66
+ setExporting(false);
67
+ return [7 /*endfinally*/];
68
+ case 4: return [2 /*return*/];
69
+ }
70
+ });
71
+ }); };
72
+ return _jsxs(_Fragment, { children: [_jsx(ParameterControls, { params: Params, values: params, onChangeValues: setParams, isDisabled: isBusy || exporting }, void 0), _jsx(Button, __assign({ onClick: onExport, style: { marginTop: 1 }, disabled: isBusy || hierarchy.structures.length === 0 || exporting, commit: hierarchy.structures.length ? 'on' : 'off' }, { children: label }), void 0)] }, void 0);
73
+ }
74
+ //# sourceMappingURL=ui.js.map
@@ -64,7 +64,7 @@ export function encodeMp4Animation(plugin, ctx, params) {
64
64
  _d.label = 6;
65
65
  case 6:
66
66
  if (!(i <= N)) return [3 /*break*/, 10];
67
- return [4 /*yield*/, loop.tick(i * dt, { isSynchronous: true, manualDraw: true })];
67
+ return [4 /*yield*/, loop.tick(i * dt, { isSynchronous: true, animation: { currentFrame: i, frameCount: N }, manualDraw: true })];
68
68
  case 7:
69
69
  _d.sent();
70
70
  image = params.pass.getImageData(width, height, normalizedViewport);
@@ -33,6 +33,10 @@ declare const AssemblySymmetry3D: StateTransformer<PluginStateObject.Molecule.St
33
33
  roughness: number;
34
34
  bumpiness: number;
35
35
  }>;
36
+ clip: PD.Normalize<{
37
+ variant: any;
38
+ objects: any;
39
+ }>;
36
40
  axesColor: PD.NamedParams<PD.Normalize<{
37
41
  colorValue: any;
38
42
  }>, "uniform"> | PD.NamedParams<PD.Normalize<unknown>, "byOrder">;
@@ -41,9 +45,9 @@ export declare const AssemblySymmetryPresetParams: {
41
45
  ignoreHydrogens: PD.Base<boolean | undefined>;
42
46
  quality: PD.Base<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined>;
43
47
  theme: PD.Base<PD.Normalize<{
44
- globalName: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "entity-id" | undefined;
48
+ globalName: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "entity-id" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
45
49
  carbonColor: "element-symbol" | "chain-id" | "operator-name" | undefined;
46
- symmetryColor: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "entity-id" | undefined;
50
+ symmetryColor: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "entity-id" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
47
51
  focus: PD.Normalize<{
48
52
  name: any;
49
53
  params: any;
@@ -25,6 +25,16 @@ export declare const AssemblySymmetryParams: {
25
25
  roughness: number;
26
26
  bumpiness: number;
27
27
  }>>;
28
+ clip: PD.Group<PD.Normalize<{
29
+ variant: import("../../../mol-util/clip").Clip.Variant;
30
+ objects: PD.Normalize<{
31
+ type: any;
32
+ invert: any;
33
+ position: any;
34
+ rotation: any;
35
+ scale: any;
36
+ }>[];
37
+ }>>;
28
38
  axesColor: PD.Mapped<PD.NamedParams<PD.Normalize<{
29
39
  colorValue: Color;
30
40
  }>, "uniform"> | PD.NamedParams<PD.Normalize<unknown>, "byOrder">>;
@@ -10844,11 +10844,11 @@ export declare type RcsbUniprotAlignments = {
10844
10844
  };
10845
10845
  export declare type RcsbUniprotAlignmentsCoreEntityAlignments = {
10846
10846
  /** Aligned region */
10847
- readonly aligned_regions?: Maybe<ReadonlyArray<Maybe<CoreEntityAlignmentsAlignedRegions>>>;
10847
+ readonly aligned_regions: ReadonlyArray<Maybe<CoreEntityAlignmentsAlignedRegions>>;
10848
10848
  /** core_entity identifiers */
10849
10849
  readonly core_entity_identifiers?: Maybe<CoreEntityAlignmentsCoreEntityIdentifiers>;
10850
10850
  /** Alignment scores */
10851
- readonly scores?: Maybe<CoreEntityAlignmentsScores>;
10851
+ readonly scores: CoreEntityAlignmentsScores;
10852
10852
  };
10853
10853
  export declare type RcsbUniprotAnnotation = {
10854
10854
  /** An identifier for the annotation. */
@@ -40,6 +40,16 @@ export declare const IntraUnitClashParams: {
40
40
  roughness: number;
41
41
  bumpiness: number;
42
42
  }>>;
43
+ clip: PD.Group<PD.Normalize<{
44
+ variant: import("../../../mol-util/clip").Clip.Variant;
45
+ objects: PD.Normalize<{
46
+ type: any;
47
+ invert: any;
48
+ position: any;
49
+ rotation: any;
50
+ scale: any;
51
+ }>[];
52
+ }>>;
43
53
  };
44
54
  export declare type IntraUnitClashParams = typeof IntraUnitClashParams;
45
55
  export declare function IntraUnitClashVisual(materialId: number): UnitsVisual<IntraUnitClashParams>;
@@ -72,6 +82,16 @@ export declare const InterUnitClashParams: {
72
82
  roughness: number;
73
83
  bumpiness: number;
74
84
  }>>;
85
+ clip: PD.Group<PD.Normalize<{
86
+ variant: import("../../../mol-util/clip").Clip.Variant;
87
+ objects: PD.Normalize<{
88
+ type: any;
89
+ invert: any;
90
+ position: any;
91
+ rotation: any;
92
+ scale: any;
93
+ }>[];
94
+ }>>;
75
95
  };
76
96
  export declare type InterUnitClashParams = typeof InterUnitClashParams;
77
97
  export declare function InterUnitClashVisual(materialId: number): ComplexVisual<InterUnitClashParams>;
@@ -105,6 +125,16 @@ export declare const ClashesParams: {
105
125
  roughness: number;
106
126
  bumpiness: number;
107
127
  }>>;
128
+ clip: PD.Group<PD.Normalize<{
129
+ variant: import("../../../mol-util/clip").Clip.Variant;
130
+ objects: PD.Normalize<{
131
+ type: any;
132
+ invert: any;
133
+ position: any;
134
+ rotation: any;
135
+ scale: any;
136
+ }>[];
137
+ }>>;
108
138
  };
109
139
  export declare type ClashesParams = typeof ClashesParams;
110
140
  export declare function getClashesParams(ctx: ThemeRegistryContext, structure: Structure): {
@@ -137,6 +167,16 @@ export declare function getClashesParams(ctx: ThemeRegistryContext, structure: S
137
167
  roughness: number;
138
168
  bumpiness: number;
139
169
  }>>;
170
+ clip: PD.Group<PD.Normalize<{
171
+ variant: import("../../../mol-util/clip").Clip.Variant;
172
+ objects: PD.Normalize<{
173
+ type: any;
174
+ invert: any;
175
+ position: any;
176
+ rotation: any;
177
+ scale: any;
178
+ }>[];
179
+ }>>;
140
180
  };
141
181
  export declare type ClashesRepresentation = StructureRepresentation<ClashesParams>;
142
182
  export declare function ClashesRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, ClashesParams>): ClashesRepresentation;
@@ -170,4 +210,14 @@ export declare const ClashesRepresentationProvider: StructureRepresentationProvi
170
210
  roughness: number;
171
211
  bumpiness: number;
172
212
  }>>;
213
+ clip: PD.Group<PD.Normalize<{
214
+ variant: import("../../../mol-util/clip").Clip.Variant;
215
+ objects: PD.Normalize<{
216
+ type: any;
217
+ invert: any;
218
+ position: any;
219
+ rotation: any;
220
+ scale: any;
221
+ }>[];
222
+ }>>;
173
223
  }, ValidationReport.Tag.Clashes>;