molstar 4.0.1 → 4.2.0

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 (907) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +197 -197
  3. package/build/viewer/embedded.html +52 -52
  4. package/build/viewer/index.html +129 -129
  5. package/build/viewer/molstar.js +1 -1
  6. package/build/viewer/molstar.js.LICENSE.txt +0 -9
  7. package/lib/apps/docking-viewer/index.html +36 -36
  8. package/lib/apps/docking-viewer/viewport.d.ts +8 -8
  9. package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
  10. package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
  11. package/lib/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
  12. package/lib/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
  13. package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
  14. package/lib/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
  15. package/lib/apps/mesoscale-explorer/data/generic/preset.js +3 -3
  16. package/lib/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
  17. package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
  18. package/lib/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
  19. package/lib/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
  20. package/lib/apps/mesoscale-explorer/data/state.d.ts +19 -10
  21. package/lib/apps/mesoscale-explorer/data/state.js +14 -2
  22. package/lib/apps/mesoscale-explorer/index.html +100 -100
  23. package/lib/apps/mesoscale-explorer/style.scss +33 -33
  24. package/lib/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
  25. package/lib/apps/mesoscale-explorer/ui/entities.js +23 -4
  26. package/lib/apps/viewer/app.d.ts +30 -24
  27. package/lib/apps/viewer/app.js +6 -6
  28. package/lib/apps/viewer/embedded.html +52 -52
  29. package/lib/apps/viewer/index.html +129 -129
  30. package/lib/cli/chem-comp-dict/create-ions.js +9 -9
  31. package/lib/cli/chem-comp-dict/create-saccharides.js +9 -9
  32. package/lib/cli/chem-comp-dict/util.d.ts +112 -112
  33. package/lib/cli/cifschema/util/cif-dic.js +1 -0
  34. package/lib/cli/cifschema/util/generate.js +12 -12
  35. package/lib/cli/lipid-params/index.js +9 -9
  36. package/lib/cli/mvs/mvs-print-schema.d.ts +1 -0
  37. package/lib/cli/mvs/mvs-print-schema.js +1 -0
  38. package/lib/cli/mvs/mvs-render.d.ts +1 -0
  39. package/lib/cli/mvs/mvs-render.js +1 -0
  40. package/lib/cli/mvs/mvs-validate.d.ts +1 -0
  41. package/lib/cli/mvs/mvs-validate.js +1 -0
  42. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +8 -8
  43. package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
  44. package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
  45. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
  46. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
  47. package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
  48. package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
  49. package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +3 -3
  50. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
  51. package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
  52. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
  53. package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
  54. package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +19 -10
  55. package/lib/commonjs/apps/mesoscale-explorer/data/state.js +15 -3
  56. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
  57. package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +22 -3
  58. package/lib/commonjs/apps/viewer/app.d.ts +30 -24
  59. package/lib/commonjs/apps/viewer/app.js +6 -6
  60. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +9 -9
  61. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +9 -9
  62. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +112 -112
  63. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
  64. package/lib/commonjs/cli/cifschema/util/generate.js +12 -12
  65. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  66. package/lib/commonjs/cli/mvs/mvs-print-schema.d.ts +1 -0
  67. package/lib/commonjs/cli/mvs/mvs-print-schema.js +1 -0
  68. package/lib/commonjs/cli/mvs/mvs-render.d.ts +1 -0
  69. package/lib/commonjs/cli/mvs/mvs-render.js +1 -0
  70. package/lib/commonjs/cli/mvs/mvs-validate.d.ts +1 -0
  71. package/lib/commonjs/cli/mvs/mvs-validate.js +1 -0
  72. package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
  73. package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
  74. package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +2 -2
  75. package/lib/commonjs/extensions/anvil/behavior.d.ts +10 -9
  76. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -0
  77. package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +2 -1
  78. package/lib/commonjs/extensions/assembly-symmetry/prop.js +24 -24
  79. package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
  80. package/lib/commonjs/extensions/backgrounds/index.d.ts +2 -2
  81. package/lib/commonjs/extensions/backgrounds/index.js +2 -1
  82. package/lib/commonjs/extensions/dnatco/behavior.d.ts +1 -1
  83. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +10 -10
  84. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +5 -5
  85. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  86. package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.d.ts +10 -10
  87. package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +5 -5
  88. package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
  89. package/lib/commonjs/extensions/g3d/format.d.ts +6 -6
  90. package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +1 -1
  91. package/lib/commonjs/extensions/geo-export/glb-exporter.js +6 -4
  92. package/lib/commonjs/extensions/geo-export/index.d.ts +1 -1
  93. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
  94. package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +2 -3
  95. package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +1 -1
  96. package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +2 -2
  97. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +9 -9
  98. package/lib/commonjs/extensions/model-export/index.d.ts +1 -1
  99. package/lib/commonjs/extensions/mp4-export/index.d.ts +1 -1
  100. package/lib/commonjs/extensions/mvs/behavior.d.ts +1 -1
  101. package/lib/commonjs/extensions/mvs/camera.d.ts +2 -0
  102. package/lib/commonjs/extensions/mvs/camera.js +29 -2
  103. package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +4 -0
  104. package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +1 -0
  105. package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +4 -2
  106. package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +1 -0
  107. package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -4
  108. package/lib/commonjs/extensions/mvs/components/formats.js +2 -1
  109. package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
  110. package/lib/commonjs/extensions/mvs/load.d.ts +2 -0
  111. package/lib/commonjs/extensions/mvs/load.js +12 -6
  112. package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +2 -8
  113. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.d.ts +1 -1
  114. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +22 -22
  115. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  116. package/lib/commonjs/extensions/sb-ncbr/partial-charges/behavior.d.ts +1 -1
  117. package/lib/commonjs/extensions/sb-ncbr/partial-charges/preset.d.ts +4 -4
  118. package/lib/commonjs/extensions/volumes-and-segmentations/entry-meshes.d.ts +1 -1
  119. package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +5 -5
  120. package/lib/commonjs/extensions/volumes-and-segmentations/entry-segmentation.d.ts +1 -1
  121. package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +2 -2
  122. package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +2 -2
  123. package/lib/commonjs/extensions/volumes-and-segmentations/helpers.d.ts +1 -1
  124. package/lib/commonjs/extensions/volumes-and-segmentations/index.d.ts +1 -1
  125. package/lib/commonjs/extensions/wwpdb/ccd/behavior.d.ts +1 -1
  126. package/lib/commonjs/extensions/wwpdb/ccd/representation.d.ts +4 -4
  127. package/lib/commonjs/extensions/zenodo/index.d.ts +1 -1
  128. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +14 -2
  129. package/lib/commonjs/mol-canvas3d/canvas3d.js +2 -2
  130. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  131. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  132. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  133. package/lib/commonjs/mol-canvas3d/passes/background.d.ts +6 -1
  134. package/lib/commonjs/mol-canvas3d/passes/background.js +13 -1
  135. package/lib/commonjs/mol-canvas3d/passes/bloom.d.ts +37 -0
  136. package/lib/commonjs/mol-canvas3d/passes/bloom.js +272 -0
  137. package/lib/commonjs/mol-canvas3d/passes/dpoit.js +4 -2
  138. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +11 -7
  139. package/lib/commonjs/mol-canvas3d/passes/draw.js +29 -3
  140. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +6 -0
  141. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +31 -5
  142. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +35 -40
  143. package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -1
  144. package/lib/commonjs/mol-geo/geometry/base.js +4 -1
  145. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -1
  146. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +4 -1
  147. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -1
  148. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +4 -1
  149. package/lib/commonjs/mol-geo/geometry/emissive-data.d.ts +26 -0
  150. package/lib/commonjs/mol-geo/geometry/emissive-data.js +80 -0
  151. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -1
  152. package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
  153. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +3 -2
  154. package/lib/commonjs/mol-geo/geometry/lines/lines.js +4 -1
  155. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +2 -1
  156. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +36 -2
  157. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
  158. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +11 -4
  159. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -2
  160. package/lib/commonjs/mol-geo/geometry/points/points.js +4 -1
  161. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -2
  162. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +7 -3
  163. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +2 -1
  164. package/lib/commonjs/mol-geo/geometry/text/text.js +4 -1
  165. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +2 -1
  166. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +34 -2
  167. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +3 -1
  168. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +14 -4
  169. package/lib/commonjs/mol-geo/util/location-iterator.d.ts +5 -2
  170. package/lib/commonjs/mol-geo/util/location-iterator.js +8 -3
  171. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +10 -0
  172. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +10 -0
  173. package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -0
  174. package/lib/commonjs/mol-gl/renderable/lines.d.ts +10 -0
  175. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +10 -0
  176. package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -0
  177. package/lib/commonjs/mol-gl/renderable/schema.d.ts +24 -1
  178. package/lib/commonjs/mol-gl/renderable/schema.js +15 -2
  179. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +10 -0
  180. package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -0
  181. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +10 -0
  182. package/lib/commonjs/mol-gl/renderable.d.ts +1 -1
  183. package/lib/commonjs/mol-gl/renderable.js +2 -2
  184. package/lib/commonjs/mol-gl/renderer.d.ts +2 -1
  185. package/lib/commonjs/mol-gl/renderer.js +58 -49
  186. package/lib/commonjs/mol-gl/scene.d.ts +3 -1
  187. package/lib/commonjs/mol-gl/scene.js +26 -1
  188. package/lib/commonjs/mol-gl/shader/background.frag.d.ts +1 -1
  189. package/lib/commonjs/mol-gl/shader/background.frag.js +95 -94
  190. package/lib/commonjs/mol-gl/shader/background.vert.js +11 -11
  191. package/lib/commonjs/mol-gl/shader/blend-back-dpoit.frag.js +13 -13
  192. package/lib/commonjs/mol-gl/shader/bloom/blur.frag.d.ts +1 -0
  193. package/lib/commonjs/mol-gl/shader/bloom/blur.frag.js +32 -0
  194. package/lib/commonjs/mol-gl/shader/bloom/composite.frag.d.ts +1 -0
  195. package/lib/commonjs/mol-gl/shader/bloom/composite.frag.js +37 -0
  196. package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.d.ts +1 -0
  197. package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.js +56 -0
  198. package/lib/commonjs/mol-gl/shader/cas.frag.js +144 -144
  199. package/lib/commonjs/mol-gl/shader/chunks/apply-fog.glsl.js +31 -31
  200. package/lib/commonjs/mol-gl/shader/chunks/apply-interior-color.glsl.js +12 -12
  201. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -2
  202. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +78 -70
  203. package/lib/commonjs/mol-gl/shader/chunks/apply-marker-color.glsl.js +16 -16
  204. package/lib/commonjs/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +8 -8
  205. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  206. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +140 -112
  207. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +6 -6
  208. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +8 -8
  209. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  210. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +112 -123
  211. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +14 -14
  212. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +18 -18
  213. package/lib/commonjs/mol-gl/shader/chunks/check-picking-alpha.glsl.js +12 -12
  214. package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.d.ts +1 -0
  215. package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.js +20 -0
  216. package/lib/commonjs/mol-gl/shader/chunks/clip-instance.glsl.js +7 -7
  217. package/lib/commonjs/mol-gl/shader/chunks/clip-pixel.glsl.js +5 -5
  218. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  219. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +60 -51
  220. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  221. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +122 -92
  222. package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +104 -104
  223. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  224. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +150 -149
  225. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +61 -61
  226. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +234 -234
  227. package/lib/commonjs/mol-gl/shader/chunks/dpoit-write.glsl.js +62 -62
  228. package/lib/commonjs/mol-gl/shader/chunks/fade-lod.glsl.js +42 -42
  229. package/lib/commonjs/mol-gl/shader/chunks/float-to-rgba.glsl.js +39 -39
  230. package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +127 -127
  231. package/lib/commonjs/mol-gl/shader/chunks/matrix-scale.glsl.js +5 -5
  232. package/lib/commonjs/mol-gl/shader/chunks/normal-frag-params.glsl.js +2 -2
  233. package/lib/commonjs/mol-gl/shader/chunks/read-from-texture.glsl.js +14 -14
  234. package/lib/commonjs/mol-gl/shader/chunks/rgba-to-float.glsl.js +84 -84
  235. package/lib/commonjs/mol-gl/shader/chunks/size-vert-params.glsl.js +11 -11
  236. package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-1d-trilinear.glsl.js +23 -23
  237. package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-linear.glsl.js +17 -17
  238. package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-nearest.glsl.js +8 -8
  239. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +25 -25
  240. package/lib/commonjs/mol-gl/shader/compose.frag.js +12 -12
  241. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +23 -23
  242. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +43 -43
  243. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +15 -15
  244. package/lib/commonjs/mol-gl/shader/copy.frag.js +11 -11
  245. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +2 -2
  246. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +267 -264
  247. package/lib/commonjs/mol-gl/shader/cylinders.vert.js +89 -89
  248. package/lib/commonjs/mol-gl/shader/depth-merge.frag.js +23 -23
  249. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  250. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +362 -356
  251. package/lib/commonjs/mol-gl/shader/direct-volume.vert.js +41 -41
  252. package/lib/commonjs/mol-gl/shader/evaluate-dpoit.frag.js +10 -10
  253. package/lib/commonjs/mol-gl/shader/evaluate-wboit.frag.js +17 -17
  254. package/lib/commonjs/mol-gl/shader/fxaa.frag.js +228 -228
  255. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +49 -49
  256. package/lib/commonjs/mol-gl/shader/gaussian-density.vert.js +27 -27
  257. package/lib/commonjs/mol-gl/shader/hi-z.frag.js +18 -18
  258. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +58 -58
  259. package/lib/commonjs/mol-gl/shader/histogram-pyramid/sum.frag.js +19 -19
  260. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
  261. package/lib/commonjs/mol-gl/shader/image.frag.js +170 -161
  262. package/lib/commonjs/mol-gl/shader/image.vert.js +21 -21
  263. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
  264. package/lib/commonjs/mol-gl/shader/lines.frag.js +43 -40
  265. package/lib/commonjs/mol-gl/shader/lines.vert.js +117 -117
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  821. package/lib/mol-repr/shape/loci/common.d.ts +1 -0
  822. package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
  823. package/lib/mol-repr/shape/loci/distance.d.ts +1 -0
  824. package/lib/mol-repr/shape/loci/label.d.ts +1 -0
  825. package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
  826. package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
  827. package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
  828. package/lib/mol-repr/structure/complex-representation.d.ts +1 -1
  829. package/lib/mol-repr/structure/complex-representation.js +7 -1
  830. package/lib/mol-repr/structure/complex-visual.d.ts +8 -1
  831. package/lib/mol-repr/structure/complex-visual.js +5 -1
  832. package/lib/mol-repr/structure/params.d.ts +8 -0
  833. package/lib/mol-repr/structure/registry.d.ts +14 -0
  834. package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
  835. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  836. package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
  837. package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
  838. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  839. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
  840. package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +3 -0
  841. package/lib/mol-repr/structure/representation/label.d.ts +3 -0
  842. package/lib/mol-repr/structure/representation/line.d.ts +3 -0
  843. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
  844. package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
  845. package/lib/mol-repr/structure/representation/point.d.ts +3 -0
  846. package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
  847. package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
  848. package/lib/mol-repr/structure/units-representation.d.ts +1 -1
  849. package/lib/mol-repr/structure/units-representation.js +9 -3
  850. package/lib/mol-repr/structure/units-visual.d.ts +9 -1
  851. package/lib/mol-repr/structure/units-visual.js +5 -1
  852. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  853. package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -0
  854. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  855. package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +1 -0
  856. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
  857. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
  858. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
  859. package/lib/mol-repr/structure/visual/element-cross.d.ts +1 -0
  860. package/lib/mol-repr/structure/visual/element-point.d.ts +1 -0
  861. package/lib/mol-repr/structure/visual/element-sphere.d.ts +4 -0
  862. package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
  863. package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -0
  864. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
  865. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +1 -1
  866. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -0
  867. package/lib/mol-repr/structure/visual/label-text.d.ts +1 -0
  868. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
  869. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -0
  870. package/lib/mol-repr/structure/visual/nucleotide-atomic-bond.d.ts +2 -0
  871. package/lib/mol-repr/structure/visual/nucleotide-atomic-element.d.ts +2 -0
  872. package/lib/mol-repr/structure/visual/nucleotide-atomic-ring-fill.d.ts +1 -0
  873. package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
  874. package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
  875. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
  876. package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
  877. package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
  878. package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
  879. package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
  880. package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
  881. package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
  882. package/lib/mol-repr/visual.d.ts +6 -1
  883. package/lib/mol-repr/visual.js +57 -3
  884. package/lib/mol-repr/volume/direct-volume.d.ts +3 -0
  885. package/lib/mol-repr/volume/isosurface.d.ts +6 -0
  886. package/lib/mol-repr/volume/registry.d.ts +4 -0
  887. package/lib/mol-repr/volume/representation.d.ts +2 -1
  888. package/lib/mol-repr/volume/representation.js +9 -2
  889. package/lib/mol-repr/volume/segment.d.ts +5 -0
  890. package/lib/mol-repr/volume/slice.d.ts +3 -0
  891. package/lib/mol-script/language/symbol-table/core.d.ts +3 -3
  892. package/lib/mol-state/tree/immutable.d.ts +1 -1
  893. package/lib/mol-state/tree/transient.d.ts +2 -2
  894. package/lib/mol-theme/color/external-volume.d.ts +3 -1
  895. package/lib/mol-theme/color/external-volume.js +8 -2
  896. package/lib/mol-theme/color.d.ts +1 -0
  897. package/lib/mol-theme/emissive.d.ts +40 -0
  898. package/lib/mol-theme/emissive.js +134 -0
  899. package/lib/mol-theme/substance.d.ts +1 -1
  900. package/lib/mol-theme/substance.js +2 -2
  901. package/lib/mol-theme/transparency.d.ts +0 -1
  902. package/lib/mol-util/input/input-observer.js +2 -0
  903. package/lib/mol-util/set.d.ts +1 -1
  904. package/lib/mol-util/set.js +17 -1
  905. package/lib/servers/common/swagger-ui/indexTemplate.js +66 -66
  906. package/lib/servers/volume/config.js +5 -5
  907. package/package.json +195 -193
@@ -0,0 +1,137 @@
1
+ "use strict";
2
+ /**
3
+ * Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
+ *
5
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
+ */
7
+ Object.defineProperty(exports, "__esModule", { value: true });
8
+ exports.Emissive = void 0;
9
+ const loci_1 = require("../mol-model/loci");
10
+ const structure_1 = require("../mol-model/structure");
11
+ const script_1 = require("../mol-script/script");
12
+ function Emissive(kind, layers) {
13
+ return { kind, layers };
14
+ }
15
+ exports.Emissive = Emissive;
16
+ (function (Emissive) {
17
+ Emissive.Empty = { kind: 'empty-loci', layers: [] };
18
+ function areEqual(eA, eB) {
19
+ if (eA.layers.length === 0 && eB.layers.length === 0)
20
+ return true;
21
+ if (eA.layers.length !== eB.layers.length)
22
+ return false;
23
+ for (let i = 0, il = eA.layers.length; i < il; ++i) {
24
+ if (eA.layers[i].value !== eB.layers[i].value)
25
+ return false;
26
+ if (!loci_1.Loci.areEqual(eA.layers[i].loci, eB.layers[i].loci))
27
+ return false;
28
+ }
29
+ return true;
30
+ }
31
+ Emissive.areEqual = areEqual;
32
+ function isEmpty(emissive) {
33
+ return emissive.layers.length === 0;
34
+ }
35
+ Emissive.isEmpty = isEmpty;
36
+ function remap(emissive, structure) {
37
+ if (emissive.kind === 'element-loci') {
38
+ const layers = [];
39
+ for (const layer of emissive.layers) {
40
+ let { loci, value } = layer;
41
+ loci = structure_1.StructureElement.Loci.remap(loci, structure);
42
+ if (!structure_1.StructureElement.Loci.isEmpty(loci)) {
43
+ layers.push({ loci, value });
44
+ }
45
+ }
46
+ return { kind: 'element-loci', layers };
47
+ }
48
+ else {
49
+ return emissive;
50
+ }
51
+ }
52
+ Emissive.remap = remap;
53
+ function merge(emissive) {
54
+ if (isEmpty(emissive))
55
+ return emissive;
56
+ if (emissive.kind === 'element-loci') {
57
+ const { structure } = emissive.layers[0].loci;
58
+ const map = new Map();
59
+ let shadowed = structure_1.StructureElement.Loci.none(structure);
60
+ for (let i = 0, il = emissive.layers.length; i < il; ++i) {
61
+ let { loci, value } = emissive.layers[il - i - 1]; // process from end
62
+ loci = structure_1.StructureElement.Loci.subtract(loci, shadowed);
63
+ shadowed = structure_1.StructureElement.Loci.union(loci, shadowed);
64
+ if (!structure_1.StructureElement.Loci.isEmpty(loci)) {
65
+ if (map.has(value)) {
66
+ loci = structure_1.StructureElement.Loci.union(loci, map.get(value));
67
+ }
68
+ map.set(value, loci);
69
+ }
70
+ }
71
+ const layers = [];
72
+ map.forEach((loci, value) => {
73
+ layers.push({ loci, value });
74
+ });
75
+ return { kind: 'element-loci', layers };
76
+ }
77
+ else {
78
+ return emissive;
79
+ }
80
+ }
81
+ Emissive.merge = merge;
82
+ function filter(emissive, filter) {
83
+ if (isEmpty(emissive))
84
+ return emissive;
85
+ if (emissive.kind === 'element-loci') {
86
+ const { structure } = emissive.layers[0].loci;
87
+ const layers = [];
88
+ for (const layer of emissive.layers) {
89
+ let { loci, value } = layer;
90
+ // filter by first map to the `filter` structure and
91
+ // then map back to the original structure of the emissive loci
92
+ const filtered = structure_1.StructureElement.Loci.remap(loci, filter);
93
+ loci = structure_1.StructureElement.Loci.remap(filtered, structure);
94
+ if (!structure_1.StructureElement.Loci.isEmpty(loci)) {
95
+ layers.push({ loci, value });
96
+ }
97
+ }
98
+ return { kind: 'element-loci', layers };
99
+ }
100
+ else {
101
+ return emissive;
102
+ }
103
+ }
104
+ Emissive.filter = filter;
105
+ function ofScript(scriptLayers, structure) {
106
+ const layers = [];
107
+ for (let i = 0, il = scriptLayers.length; i < il; ++i) {
108
+ const { script, value } = scriptLayers[i];
109
+ const loci = script_1.Script.toLoci(script, structure);
110
+ if (!structure_1.StructureElement.Loci.isEmpty(loci)) {
111
+ layers.push({ loci, value });
112
+ }
113
+ }
114
+ return { kind: 'element-loci', layers };
115
+ }
116
+ Emissive.ofScript = ofScript;
117
+ function ofBundle(bundleLayers, structure) {
118
+ const layers = [];
119
+ for (let i = 0, il = bundleLayers.length; i < il; ++i) {
120
+ const { bundle, value } = bundleLayers[i];
121
+ const loci = structure_1.StructureElement.Bundle.toLoci(bundle, structure.root);
122
+ layers.push({ loci, value });
123
+ }
124
+ return { kind: 'element-loci', layers };
125
+ }
126
+ Emissive.ofBundle = ofBundle;
127
+ function toBundle(emissive) {
128
+ const layers = [];
129
+ for (let i = 0, il = emissive.layers.length; i < il; ++i) {
130
+ const { loci, value } = emissive.layers[i];
131
+ const bundle = structure_1.StructureElement.Bundle.fromLoci(loci);
132
+ layers.push({ bundle, value });
133
+ }
134
+ return { kind: 'element-loci', layers };
135
+ }
136
+ Emissive.toBundle = toBundle;
137
+ })(Emissive || (exports.Emissive = Emissive = {}));
@@ -21,7 +21,7 @@ declare namespace Substance {
21
21
  };
22
22
  const Empty: Substance;
23
23
  function areEqual(sA: Substance, sB: Substance): boolean;
24
- function isEmpty(overpaint: Substance): boolean;
24
+ function isEmpty(substance: Substance): boolean;
25
25
  function remap(substance: Substance, structure: Structure): Substance;
26
26
  function merge(substance: Substance): Substance;
27
27
  function filter(substance: Substance, filter: Structure): Substance;
@@ -33,8 +33,8 @@ exports.Substance = Substance;
33
33
  return true;
34
34
  }
35
35
  Substance.areEqual = areEqual;
36
- function isEmpty(overpaint) {
37
- return overpaint.layers.length === 0;
36
+ function isEmpty(substance) {
37
+ return substance.layers.length === 0;
38
38
  }
39
39
  Substance.isEmpty = isEmpty;
40
40
  function remap(substance, structure) {
@@ -18,7 +18,6 @@ declare namespace Transparency {
18
18
  readonly value: number;
19
19
  };
20
20
  const Empty: Transparency;
21
- type Variant = 'single' | 'multi';
22
21
  function areEqual(tA: Transparency, tB: Transparency): boolean;
23
22
  function isEmpty(transparency: Transparency): boolean;
24
23
  function remap(transparency: Transparency, structure: Structure): Transparency;
@@ -647,6 +647,8 @@ var InputObserver;
647
647
  gestureDelta(ev, true);
648
648
  }
649
649
  function onResize() {
650
+ width = element.clientWidth * pixelRatio();
651
+ height = element.clientHeight * pixelRatio();
650
652
  resize.next({});
651
653
  }
652
654
  function insideBounds(pos) {
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
6
  */
@@ -15,6 +15,8 @@ var SetUtils;
15
15
  SetUtils.toArray = toArray;
16
16
  /** Test if set a contains all elements of set b. */
17
17
  function isSuperset(setA, setB) {
18
+ if (setA === setB)
19
+ return true;
18
20
  if (setA.size < setB.size)
19
21
  return false;
20
22
  for (const elem of setB) {
@@ -36,6 +38,8 @@ var SetUtils;
36
38
  /** Create set containing elements of both set a and set b. */
37
39
  function union(setA, setB) {
38
40
  const union = new Set(setA);
41
+ if (setA === setB)
42
+ return union;
39
43
  for (const elem of setB)
40
44
  union.add(elem);
41
45
  return union;
@@ -65,6 +69,8 @@ var SetUtils;
65
69
  SetUtils.unionManyArrays = unionManyArrays;
66
70
  /** Create set containing elements of set a that are also in set b. */
67
71
  function intersection(setA, setB) {
72
+ if (setA === setB)
73
+ return new Set(setA);
68
74
  const intersection = new Set();
69
75
  for (const elem of setB) {
70
76
  if (setA.has(elem))
@@ -74,6 +80,8 @@ var SetUtils;
74
80
  }
75
81
  SetUtils.intersection = intersection;
76
82
  function areIntersecting(setA, setB) {
83
+ if (setA === setB)
84
+ return setA.size > 0;
77
85
  if (setA.size < setB.size)
78
86
  [setA, setB] = [setB, setA];
79
87
  for (const elem of setB) {
@@ -84,6 +92,8 @@ var SetUtils;
84
92
  }
85
93
  SetUtils.areIntersecting = areIntersecting;
86
94
  function intersectionSize(setA, setB) {
95
+ if (setA === setB)
96
+ return setA.size;
87
97
  if (setA.size < setB.size)
88
98
  [setA, setB] = [setB, setA];
89
99
  let count = 0;
@@ -96,6 +106,8 @@ var SetUtils;
96
106
  SetUtils.intersectionSize = intersectionSize;
97
107
  /** Create set containing elements of set a that are not in set b. */
98
108
  function difference(setA, setB) {
109
+ if (setA === setB)
110
+ return new Set();
99
111
  const difference = new Set(setA);
100
112
  for (const elem of setB)
101
113
  difference.delete(elem);
@@ -104,6 +116,8 @@ var SetUtils;
104
116
  SetUtils.difference = difference;
105
117
  /** Number of elements that are in set a but not in set b. */
106
118
  function differenceSize(setA, setB) {
119
+ if (setA === setB)
120
+ return 0;
107
121
  let count = setA.size;
108
122
  for (const elem of setA) {
109
123
  if (setB.has(elem))
@@ -114,6 +128,8 @@ var SetUtils;
114
128
  SetUtils.differenceSize = differenceSize;
115
129
  /** Test if set a and b contain the same elements. */
116
130
  function areEqual(setA, setB) {
131
+ if (setA === setB)
132
+ return true;
117
133
  if (setA.size !== setB.size)
118
134
  return false;
119
135
  for (const elem of setB) {
@@ -1,70 +1,70 @@
1
1
  "use strict";
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.indexTemplate = void 0;
4
- exports.indexTemplate = `<!DOCTYPE html>
5
- <html lang="en">
6
- <head>
7
- <meta charset="UTF-8">
8
- <title>\${title}</title>
9
- <link rel="stylesheet" type="text/css" href="\${apiPrefix}/swagger-ui.css" >
10
- \${shortcutIconLink}
11
-
12
- <style>
13
- html
14
- {
15
- box-sizing: border-box;
16
- overflow: -moz-scrollbars-vertical;
17
- overflow-y: scroll;
18
- }
19
- *,
20
- *:before,
21
- *:after
22
- {
23
- box-sizing: inherit;
24
- }
25
- body
26
- {
27
- margin:0;
28
- background: #fafafa;
29
- }
30
- </style>
31
- </head>
32
-
33
- <body>
34
- <div id="swagger-ui"></div>
35
-
36
- <script src="\${apiPrefix}/swagger-ui-bundle.js"> </script>
37
- <script src="\${apiPrefix}/swagger-ui-standalone-preset.js"> </script>
38
- <script>
39
- function HidePlugin() {
40
- // this plugin overrides some components to return nothing
41
- return {
42
- components: {
43
- Topbar: function () { return null },
44
- Models: function () { return null },
45
- }
46
- }
47
- }
48
- window.onload = function () {
49
- var ui = SwaggerUIBundle({
50
- url: '\${openapiJsonUrl}',
51
- validatorUrl: null,
52
- docExpansion: 'list',
53
- dom_id: '#swagger-ui',
54
- deepLinking: true,
55
- presets: [
56
- SwaggerUIBundle.presets.apis,
57
- SwaggerUIStandalonePreset
58
- ],
59
- syntaxHighlight: { activated: false, theme: 'agate' },
60
- plugins: [
61
- SwaggerUIBundle.plugins.DownloadUrl,
62
- HidePlugin
63
- ],
64
- layout: 'StandaloneLayout'
65
- })
66
- window.ui = ui
67
- }
68
- </script>
69
- </body>
4
+ exports.indexTemplate = `<!DOCTYPE html>
5
+ <html lang="en">
6
+ <head>
7
+ <meta charset="UTF-8">
8
+ <title>\${title}</title>
9
+ <link rel="stylesheet" type="text/css" href="\${apiPrefix}/swagger-ui.css" >
10
+ \${shortcutIconLink}
11
+
12
+ <style>
13
+ html
14
+ {
15
+ box-sizing: border-box;
16
+ overflow: -moz-scrollbars-vertical;
17
+ overflow-y: scroll;
18
+ }
19
+ *,
20
+ *:before,
21
+ *:after
22
+ {
23
+ box-sizing: inherit;
24
+ }
25
+ body
26
+ {
27
+ margin:0;
28
+ background: #fafafa;
29
+ }
30
+ </style>
31
+ </head>
32
+
33
+ <body>
34
+ <div id="swagger-ui"></div>
35
+
36
+ <script src="\${apiPrefix}/swagger-ui-bundle.js"> </script>
37
+ <script src="\${apiPrefix}/swagger-ui-standalone-preset.js"> </script>
38
+ <script>
39
+ function HidePlugin() {
40
+ // this plugin overrides some components to return nothing
41
+ return {
42
+ components: {
43
+ Topbar: function () { return null },
44
+ Models: function () { return null },
45
+ }
46
+ }
47
+ }
48
+ window.onload = function () {
49
+ var ui = SwaggerUIBundle({
50
+ url: '\${openapiJsonUrl}',
51
+ validatorUrl: null,
52
+ docExpansion: 'list',
53
+ dom_id: '#swagger-ui',
54
+ deepLinking: true,
55
+ presets: [
56
+ SwaggerUIBundle.presets.apis,
57
+ SwaggerUIStandalonePreset
58
+ ],
59
+ syntaxHighlight: { activated: false, theme: 'agate' },
60
+ plugins: [
61
+ SwaggerUIBundle.plugins.DownloadUrl,
62
+ HidePlugin
63
+ ],
64
+ layout: 'StandaloneLayout'
65
+ })
66
+ window.ui = ui
67
+ }
68
+ </script>
69
+ </body>
70
70
  </html>`;
@@ -23,9 +23,9 @@ function addLimitsArgs(parser) {
23
23
  parser.add_argument('--maxRequestBlockCount', {
24
24
  default: DefaultLimitsConfig.maxRequestBlockCount,
25
25
  metavar: 'COUNT',
26
- help: `Maximum number of blocks that could be read in 1 query.
27
- This is somewhat tied to the maxOutputSizeInVoxelCountByPrecisionLevel
28
- in that the <maximum number of voxel> = maxRequestBlockCount * <block size>^3.
26
+ help: `Maximum number of blocks that could be read in 1 query.
27
+ This is somewhat tied to the maxOutputSizeInVoxelCountByPrecisionLevel
28
+ in that the <maximum number of voxel> = maxRequestBlockCount * <block size>^3.
29
29
  The default block size is 96 which corresponds to 28,311,552 voxels with 32 max blocks.`
30
30
  });
31
31
  parser.add_argument('--maxFractionalBoxVolume', {
@@ -37,8 +37,8 @@ The default block size is 96 which corresponds to 28,311,552 voxels with 32 max
37
37
  nargs: '+',
38
38
  default: DefaultLimitsConfig.maxOutputSizeInVoxelCountByPrecisionLevel,
39
39
  metavar: 'LEVEL',
40
- help: `What is the (approximate) maximum desired size in voxel count by precision level
41
- Rule of thumb: <response gzipped size> in [<voxel count> / 8, <voxel count> / 4].
40
+ help: `What is the (approximate) maximum desired size in voxel count by precision level
41
+ Rule of thumb: <response gzipped size> in [<voxel count> / 8, <voxel count> / 4].
42
42
  The maximum number of voxels is tied to maxRequestBlockCount.`
43
43
  });
44
44
  }