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
@@ -3,141 +3,141 @@
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  */
6
- export const UTILS = `
7
- float L1(vec3 p, float a0, float a1, float a2) {
8
- return a0 * p.z + a1 * p.x + a2 * p.y;
9
- }
10
-
11
- float L2(vec3 p, float a0, float a1, float a2, float a3, float a4) {
12
- float x = p.x, y = p.y, z = p.z;
13
- float xx = x * x, yy = y * y, zz = z * z;
14
- return (
15
- a0 * (-0.5 * xx - 0.5 * yy + zz) +
16
- a1 * (1.7320508075688772 * x * z) +
17
- a2 * (1.7320508075688772 * y * z) +
18
- a3 * (0.8660254037844386 * xx - 0.8660254037844386 * yy) +
19
- a4 * (1.7320508075688772 * x * y)
20
- );
21
- }
22
-
23
- float L3(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6) {
24
- float x = p.x, y = p.y, z = p.z;
25
- float xx = x * x, yy = y * y, zz = z * z;
26
- float xxx = xx * x, yyy = yy * y, zzz = zz * z;
27
- return (
28
- a0 * (-1.5 * xx * z - 1.5 * yy * z + zzz) +
29
- a1 * (-0.6123724356957945 * xxx - 0.6123724356957945 * x * yy + 2.449489742783178 * x * zz) +
30
- a2 * (-0.6123724356957945 * xx * y - 0.6123724356957945 * yyy + 2.449489742783178 * y * zz) +
31
- a3 * (1.9364916731037085 * xx * z - 1.9364916731037085 * yy * z) +
32
- a4 * (3.872983346207417 * x * y * z) +
33
- a5 * (0.7905694150420949 * xxx - 2.3717082451262845 * x * yy) +
34
- a6 * (2.3717082451262845 * xx * y - 0.7905694150420949 * yyy)
35
- );
36
- }
37
-
38
- float L4(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6, float a7, float a8) {
39
- float x = p.x, y = p.y, z = p.z;
40
- float xx = x * x, yy = y * y, zz = z * z;
41
- float xxx = xx * x, yyy = yy * y, zzz = zz * z;
42
- float xxxx = xxx * x, yyyy = yyy * y, zzzz = zzz * z;
43
- return (
44
- a0 * (0.375 * xxxx + 0.75 * xx * yy + 0.375 * yyyy - 3.0 * xx * zz - 3.0 * yy * zz + zzzz) +
45
- a1 * (-2.3717082451262845 * xxx * z - 2.3717082451262845 * x * yy * z + 3.1622776601683795 * x * zzz) +
46
- a2 * (-2.3717082451262845 * xx * y * z - 2.3717082451262845 * yyy * z + 3.1622776601683795 * y * zzz) +
47
- a3 * (-0.5590169943749475 * xxxx + 0.5590169943749475 * yyyy + 3.3541019662496847 * xx * zz - 3.3541019662496847 * yy * zz) +
48
- a4 * (-1.118033988749895 * xxx * y - 1.118033988749895 * x * yyy + 6.708203932499369 * x * y * zz) +
49
- a5 * (2.091650066335189 * xxx * z + -6.274950199005566 * x * yy * z) +
50
- a6 * (6.274950199005566 * xx * y * z + -2.091650066335189 * yyy * z) +
51
- a7 * (0.739509972887452 * xxxx - 4.437059837324712 * xx * yy + 0.739509972887452 * yyyy) +
52
- a8 * (2.958039891549808 * xxx * y + -2.958039891549808 * x * yyy)
53
- );
54
- }
55
-
56
- float alpha(float offset, float f) {
57
- #ifdef WEBGL1
58
- // in webgl1, the value is in the alpha channel!
59
- return texture2D(tAlpha, vec2(offset * f, 0.5)).a;
60
- #else
61
- return texture2D(tAlpha, vec2(offset * f, 0.5)).x;
62
- #endif
63
- }
64
-
65
- float Y(int L, vec3 X, float aO, float fA) {
66
- if (L == 0) {
67
- return alpha(aO, fA);
68
- } else if (L == 1) {
69
- return L1(X,
70
- alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA)
71
- );
72
- } else if (L == 2) {
73
- return L2(X,
74
- alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA)
75
- );
76
- } else if (L == 3) {
77
- return L3(X,
78
- alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
79
- alpha(aO + 5.0, fA), alpha(aO + 6.0, fA)
80
- );
81
- } else if (L == 4) {
82
- return L4(X,
83
- alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
84
- alpha(aO + 5.0, fA), alpha(aO + 6.0, fA), alpha(aO + 7.0, fA), alpha(aO + 8.0, fA)
85
- );
86
- }
87
- // TODO: do we need L > 4?
88
- return 0.0;
89
- }
90
-
91
- #ifndef WEBGL1
92
- float R(float R2, int start, int end, float fCoeff) {
93
- float gauss = 0.0;
94
- for (int i = start; i < end; i++) {
95
- vec2 c = texture2D(tCoeff, vec2(float(i) * fCoeff, 0.5)).xy;
96
- gauss += c.x * exp(-c.y * R2);
97
- }
98
- return gauss;
99
- }
100
- #else
101
- float R(float R2, int start, int end, float fCoeff) {
102
- float gauss = 0.0;
103
- int o = start;
104
- for (int i = 0; i < uMaxCoeffs; i++) {
105
- if (o >= end) break;
106
-
107
- vec2 c = texture2D(tCoeff, vec2(float(o) * fCoeff, 0.5)).xy;
108
- gauss += c.x * exp(-c.y * R2);
109
- o++;
110
- }
111
- return gauss;
112
- }
113
- #endif
6
+ export const UTILS = `
7
+ float L1(vec3 p, float a0, float a1, float a2) {
8
+ return a0 * p.z + a1 * p.x + a2 * p.y;
9
+ }
10
+
11
+ float L2(vec3 p, float a0, float a1, float a2, float a3, float a4) {
12
+ float x = p.x, y = p.y, z = p.z;
13
+ float xx = x * x, yy = y * y, zz = z * z;
14
+ return (
15
+ a0 * (-0.5 * xx - 0.5 * yy + zz) +
16
+ a1 * (1.7320508075688772 * x * z) +
17
+ a2 * (1.7320508075688772 * y * z) +
18
+ a3 * (0.8660254037844386 * xx - 0.8660254037844386 * yy) +
19
+ a4 * (1.7320508075688772 * x * y)
20
+ );
21
+ }
22
+
23
+ float L3(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6) {
24
+ float x = p.x, y = p.y, z = p.z;
25
+ float xx = x * x, yy = y * y, zz = z * z;
26
+ float xxx = xx * x, yyy = yy * y, zzz = zz * z;
27
+ return (
28
+ a0 * (-1.5 * xx * z - 1.5 * yy * z + zzz) +
29
+ a1 * (-0.6123724356957945 * xxx - 0.6123724356957945 * x * yy + 2.449489742783178 * x * zz) +
30
+ a2 * (-0.6123724356957945 * xx * y - 0.6123724356957945 * yyy + 2.449489742783178 * y * zz) +
31
+ a3 * (1.9364916731037085 * xx * z - 1.9364916731037085 * yy * z) +
32
+ a4 * (3.872983346207417 * x * y * z) +
33
+ a5 * (0.7905694150420949 * xxx - 2.3717082451262845 * x * yy) +
34
+ a6 * (2.3717082451262845 * xx * y - 0.7905694150420949 * yyy)
35
+ );
36
+ }
37
+
38
+ float L4(vec3 p, float a0, float a1, float a2, float a3, float a4, float a5, float a6, float a7, float a8) {
39
+ float x = p.x, y = p.y, z = p.z;
40
+ float xx = x * x, yy = y * y, zz = z * z;
41
+ float xxx = xx * x, yyy = yy * y, zzz = zz * z;
42
+ float xxxx = xxx * x, yyyy = yyy * y, zzzz = zzz * z;
43
+ return (
44
+ a0 * (0.375 * xxxx + 0.75 * xx * yy + 0.375 * yyyy - 3.0 * xx * zz - 3.0 * yy * zz + zzzz) +
45
+ a1 * (-2.3717082451262845 * xxx * z - 2.3717082451262845 * x * yy * z + 3.1622776601683795 * x * zzz) +
46
+ a2 * (-2.3717082451262845 * xx * y * z - 2.3717082451262845 * yyy * z + 3.1622776601683795 * y * zzz) +
47
+ a3 * (-0.5590169943749475 * xxxx + 0.5590169943749475 * yyyy + 3.3541019662496847 * xx * zz - 3.3541019662496847 * yy * zz) +
48
+ a4 * (-1.118033988749895 * xxx * y - 1.118033988749895 * x * yyy + 6.708203932499369 * x * y * zz) +
49
+ a5 * (2.091650066335189 * xxx * z + -6.274950199005566 * x * yy * z) +
50
+ a6 * (6.274950199005566 * xx * y * z + -2.091650066335189 * yyy * z) +
51
+ a7 * (0.739509972887452 * xxxx - 4.437059837324712 * xx * yy + 0.739509972887452 * yyyy) +
52
+ a8 * (2.958039891549808 * xxx * y + -2.958039891549808 * x * yyy)
53
+ );
54
+ }
55
+
56
+ float alpha(float offset, float f) {
57
+ #ifdef WEBGL1
58
+ // in webgl1, the value is in the alpha channel!
59
+ return texture2D(tAlpha, vec2(offset * f, 0.5)).a;
60
+ #else
61
+ return texture2D(tAlpha, vec2(offset * f, 0.5)).x;
62
+ #endif
63
+ }
64
+
65
+ float Y(int L, vec3 X, float aO, float fA) {
66
+ if (L == 0) {
67
+ return alpha(aO, fA);
68
+ } else if (L == 1) {
69
+ return L1(X,
70
+ alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA)
71
+ );
72
+ } else if (L == 2) {
73
+ return L2(X,
74
+ alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA)
75
+ );
76
+ } else if (L == 3) {
77
+ return L3(X,
78
+ alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
79
+ alpha(aO + 5.0, fA), alpha(aO + 6.0, fA)
80
+ );
81
+ } else if (L == 4) {
82
+ return L4(X,
83
+ alpha(aO, fA), alpha(aO + 1.0, fA), alpha(aO + 2.0, fA), alpha(aO + 3.0, fA), alpha(aO + 4.0, fA),
84
+ alpha(aO + 5.0, fA), alpha(aO + 6.0, fA), alpha(aO + 7.0, fA), alpha(aO + 8.0, fA)
85
+ );
86
+ }
87
+ // TODO: do we need L > 4?
88
+ return 0.0;
89
+ }
90
+
91
+ #ifndef WEBGL1
92
+ float R(float R2, int start, int end, float fCoeff) {
93
+ float gauss = 0.0;
94
+ for (int i = start; i < end; i++) {
95
+ vec2 c = texture2D(tCoeff, vec2(float(i) * fCoeff, 0.5)).xy;
96
+ gauss += c.x * exp(-c.y * R2);
97
+ }
98
+ return gauss;
99
+ }
100
+ #else
101
+ float R(float R2, int start, int end, float fCoeff) {
102
+ float gauss = 0.0;
103
+ int o = start;
104
+ for (int i = 0; i < uMaxCoeffs; i++) {
105
+ if (o >= end) break;
106
+
107
+ vec2 c = texture2D(tCoeff, vec2(float(o) * fCoeff, 0.5)).xy;
108
+ gauss += c.x * exp(-c.y * R2);
109
+ o++;
110
+ }
111
+ return gauss;
112
+ }
113
+ #endif
114
114
  `;
115
- export const MAIN = `
116
- float fCenter = 1.0 / float(uNCenters - 1);
117
- float fCoeff = 1.0 / float(uNCoeff - 1);
118
- float fA = 1.0 / float(uNAlpha - 1);
119
-
120
- float v = 0.0;
121
-
122
- for (int i = 0; i < uNCenters; i++) {
123
- vec2 cCoord = vec2(float(i) * fCenter, 0.5);
124
-
125
- vec4 center = texture2D(tCenters, cCoord);
126
- vec3 X = xyz - center.xyz;
127
- float R2 = dot(X, X);
128
-
129
- // center.w is squared cutoff radius
130
- if (R2 > center.w) {
131
- continue;
132
- }
133
-
134
- vec4 info = texture2D(tInfo, cCoord);
135
-
136
- int L = int(info.x);
137
- float aO = info.y;
138
- int coeffStart = int(info.z);
139
- int coeffEnd = int(info.w);
140
-
141
- v += R(R2, coeffStart, coeffEnd, fCoeff) * Y(L, X, aO, fA);
142
- }
115
+ export const MAIN = `
116
+ float fCenter = 1.0 / float(uNCenters - 1);
117
+ float fCoeff = 1.0 / float(uNCoeff - 1);
118
+ float fA = 1.0 / float(uNAlpha - 1);
119
+
120
+ float v = 0.0;
121
+
122
+ for (int i = 0; i < uNCenters; i++) {
123
+ vec2 cCoord = vec2(float(i) * fCenter, 0.5);
124
+
125
+ vec4 center = texture2D(tCenters, cCoord);
126
+ vec3 X = xyz - center.xyz;
127
+ float R2 = dot(X, X);
128
+
129
+ // center.w is squared cutoff radius
130
+ if (R2 > center.w) {
131
+ continue;
132
+ }
133
+
134
+ vec4 info = texture2D(tInfo, cCoord);
135
+
136
+ int L = int(info.x);
137
+ float aO = info.y;
138
+ int coeffStart = int(info.z);
139
+ int coeffEnd = int(info.w);
140
+
141
+ v += R(R2, coeffStart, coeffEnd, fCoeff) * Y(L, X, aO, fA);
142
+ }
143
143
  `;
@@ -17,7 +17,7 @@ declare const BasisAndOrbitals_base: {
17
17
  label: string;
18
18
  description?: string | undefined;
19
19
  } | undefined): {
20
- id: import("../../mol-util/uuid").UUID;
20
+ id: import("../../mol-util").UUID;
21
21
  type: PluginStateObject.TypeInfo;
22
22
  label: string;
23
23
  description?: string | undefined;
@@ -28,7 +28,7 @@ declare const BasisAndOrbitals_base: {
28
28
  };
29
29
  };
30
30
  type: PluginStateObject.TypeInfo;
31
- is(obj?: import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>> | undefined): obj is import("../../mol-state/object").StateObject<{
31
+ is(obj?: import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>> | undefined): obj is import("../../mol-state").StateObject<{
32
32
  basis: Basis;
33
33
  order: SphericalBasisOrder;
34
34
  orbitals: AlphaOrbital[];
@@ -36,8 +36,9 @@ declare const MembraneOrientation3D: StateTransformer<PluginStateObject.Molecule
36
36
  variant: any;
37
37
  objects: any;
38
38
  }>;
39
+ emissive: number;
39
40
  instanceGranularity: boolean;
40
- lod: import("../../mol-math/linear-algebra/3d/vec3").Vec3;
41
+ lod: import("../../mol-math/linear-algebra").Vec3;
41
42
  cellSize: number;
42
43
  batchSize: number;
43
44
  sectorOpacity: number;
@@ -68,19 +69,19 @@ export declare const MembraneOrientationPreset: StructureRepresentationPresetPro
68
69
  representations?: undefined;
69
70
  } | {
70
71
  components: {
71
- polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
72
+ polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>> | undefined;
72
73
  } | {
73
- all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
74
+ all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>> | undefined;
74
75
  branched: undefined;
75
76
  } | undefined;
76
77
  representations: {
77
- membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
78
+ membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
78
79
  } | {
79
- membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
80
- polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
80
+ membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
81
+ polymer: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
81
82
  } | {
82
- membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
83
- all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
83
+ membraneOrientation: import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
84
+ all: import("../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>;
84
85
  };
85
86
  }>;
86
- export declare function tryCreateMembraneOrientation(plugin: PluginContext, structure: StateObjectRef<PluginStateObject.Molecule.Structure>, params?: StateTransformer.Params<MembraneOrientation3D>, initialState?: Partial<StateTransform.State>): Promise<import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>>;
87
+ export declare function tryCreateMembraneOrientation(plugin: PluginContext, structure: StateObjectRef<PluginStateObject.Molecule.Structure>, params?: StateTransformer.Params<MembraneOrientation3D>, initialState?: Partial<StateTransform.State>): Promise<import("../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>>;
@@ -38,6 +38,7 @@ declare const BilayerPlanesParams: {
38
38
  scale: any;
39
39
  }>[];
40
40
  }>>;
41
+ emissive: PD.Numeric;
41
42
  instanceGranularity: PD.BooleanParam;
42
43
  lod: PD.Vec3;
43
44
  cellSize: PD.Numeric;
@@ -69,6 +70,7 @@ declare const BilayerRimsParams: {
69
70
  scale: any;
70
71
  }>[];
71
72
  }>>;
73
+ emissive: PD.Numeric;
72
74
  instanceGranularity: PD.BooleanParam;
73
75
  lod: PD.Vec3;
74
76
  cellSize: PD.Numeric;
@@ -101,6 +103,7 @@ export declare const MembraneOrientationParams: {
101
103
  scale: any;
102
104
  }>[];
103
105
  }>>;
106
+ emissive: PD.Numeric;
104
107
  instanceGranularity: PD.BooleanParam;
105
108
  lod: PD.Vec3;
106
109
  cellSize: PD.Numeric;
@@ -142,6 +145,7 @@ export declare function getMembraneOrientationParams(ctx: ThemeRegistryContext,
142
145
  scale: any;
143
146
  }>[];
144
147
  }>>;
148
+ emissive: PD.Numeric;
145
149
  instanceGranularity: PD.BooleanParam;
146
150
  lod: PD.Vec3;
147
151
  cellSize: PD.Numeric;
@@ -183,6 +187,7 @@ export declare const MembraneOrientationRepresentationProvider: StructureReprese
183
187
  scale: any;
184
188
  }>[];
185
189
  }>>;
190
+ emissive: PD.Numeric;
186
191
  instanceGranularity: PD.BooleanParam;
187
192
  lod: PD.Vec3;
188
193
  cellSize: PD.Numeric;
@@ -42,8 +42,9 @@ declare const AssemblySymmetry3D: StateTransformer<PluginStateObject.Molecule.St
42
42
  variant: any;
43
43
  objects: any;
44
44
  }>;
45
+ emissive: number;
45
46
  instanceGranularity: boolean;
46
- lod: import("../../mol-math/linear-algebra/3d/vec3").Vec3;
47
+ lod: import("../../mol-math/linear-algebra").Vec3;
47
48
  cellSize: number;
48
49
  batchSize: number;
49
50
  axesColor: PD.NamedParams<PD.Normalize<{
@@ -14,30 +14,30 @@ import { MolScriptBuilder as MS } from '../../mol-script/language/builder';
14
14
  import { compile } from '../../mol-script/runtime/query/compiler';
15
15
  import { CustomPropertyDescriptor } from '../../mol-model/custom-property';
16
16
  import { Asset } from '../../mol-util/assets';
17
- const rcsb_symmetry_gql = /* GraphQL */ `
18
- query AssemblySymmetry($assembly_id: String!, $entry_id: String!) {
19
- assembly(assembly_id: $assembly_id, entry_id: $entry_id) {
20
- rcsb_struct_symmetry {
21
- clusters {
22
- avg_rmsd
23
- members {
24
- asym_id
25
- pdbx_struct_oper_list_ids
26
- }
27
- }
28
- kind
29
- oligomeric_state
30
- rotation_axes {
31
- order
32
- start
33
- end
34
- }
35
- stoichiometry
36
- symbol
37
- type
38
- }
39
- }
40
- }
17
+ const rcsb_symmetry_gql = /* GraphQL */ `
18
+ query AssemblySymmetry($assembly_id: String!, $entry_id: String!) {
19
+ assembly(assembly_id: $assembly_id, entry_id: $entry_id) {
20
+ rcsb_struct_symmetry {
21
+ clusters {
22
+ avg_rmsd
23
+ members {
24
+ asym_id
25
+ pdbx_struct_oper_list_ids
26
+ }
27
+ }
28
+ kind
29
+ oligomeric_state
30
+ rotation_axes {
31
+ order
32
+ start
33
+ end
34
+ }
35
+ stoichiometry
36
+ symbol
37
+ type
38
+ }
39
+ }
40
+ }
41
41
  `;
42
42
  const BiologicalAssemblyNames = new Set([
43
43
  'author_and_software_defined_assembly',
@@ -36,6 +36,7 @@ export declare const AssemblySymmetryParams: {
36
36
  scale: any;
37
37
  }>[];
38
38
  }>>;
39
+ emissive: PD.Numeric;
39
40
  instanceGranularity: PD.BooleanParam;
40
41
  lod: PD.Vec3;
41
42
  cellSize: PD.Numeric;
@@ -1,7 +1,7 @@
1
1
  /**
2
- * Copyright (c) 2022-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2022-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
6
6
  import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
7
- export declare const Backgrounds: import("../../mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {}>;
7
+ export declare const Backgrounds: import("../../mol-state").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {}>;
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2022-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2022-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -76,6 +76,7 @@ export const Backgrounds = PluginBehavior.create({
76
76
  saturation: 0,
77
77
  opacity: 1,
78
78
  blur: 0.3,
79
+ rotation: { x: 0, y: 0, z: 0 },
79
80
  }
80
81
  }
81
82
  }, 'Purple Nebula Skybox'],
@@ -5,7 +5,7 @@
5
5
  * @author Jiří Černý <jiri.cerny@ibt.cas.cz>
6
6
  */
7
7
  import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
8
- export declare const DnatcoNtCs: import("../../mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {
8
+ export declare const DnatcoNtCs: import("../../mol-state").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {
9
9
  autoAttach: boolean;
10
10
  showToolTip: boolean;
11
11
  }>;
@@ -24,23 +24,23 @@ export declare const ConfalPyramidsPreset: StructureRepresentationPresetProvider
24
24
  representations?: undefined;
25
25
  } | {
26
26
  components: {
27
- pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
27
+ pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
28
28
  } | {
29
- pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
30
- polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
29
+ pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
30
+ polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
31
31
  } | {
32
- pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
33
- all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
32
+ pyramids: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
33
+ all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
34
34
  branched: undefined;
35
35
  };
36
36
  representations: {
37
- pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
37
+ pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
38
38
  } | {
39
- pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
40
- polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>>;
39
+ pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
40
+ polymer: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>>;
41
41
  } | {
42
- pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
43
- all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state/transformer").StateTransformer<import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, import("../../../mol-state/object").StateObject<any, import("../../../mol-state/object").StateObject.Type<any>>, any>>;
42
+ pyramidsRepr: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>> | undefined;
43
+ all: import("../../../mol-state").StateObjectSelector<import("../../../mol-plugin-state/objects").PluginStateObject.Molecule.Structure.Representation3D, import("../../../mol-state").StateTransformer<import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, import("../../../mol-state").StateObject<any, import("../../../mol-state").StateObject.Type<any>>, any>>;
44
44
  };
45
45
  }>;
46
46
  export declare function confalPyramidLabel(step: DnatcoTypes.Step): string;
@@ -41,10 +41,10 @@ export const ConfalPyramidsPreset = StructureRepresentationPresetProvider({
41
41
  }
42
42
  });
43
43
  export function confalPyramidLabel(step) {
44
- return `
45
- <b>${step.auth_asym_id_1}</b> |
46
- <b>${step.label_comp_id_1} ${step.auth_seq_id_1}${step.PDB_ins_code_1}${step.label_alt_id_1.length > 0 ? ` (alt ${step.label_alt_id_1})` : ''}
47
- ${step.label_comp_id_2} ${step.auth_seq_id_2}${step.PDB_ins_code_2}${step.label_alt_id_2.length > 0 ? ` (alt ${step.label_alt_id_2})` : ''} </b><br />
48
- <i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
44
+ return `
45
+ <b>${step.auth_asym_id_1}</b> |
46
+ <b>${step.label_comp_id_1} ${step.auth_seq_id_1}${step.PDB_ins_code_1}${step.label_alt_id_1.length > 0 ? ` (alt ${step.label_alt_id_1})` : ''}
47
+ ${step.label_comp_id_2} ${step.auth_seq_id_2}${step.PDB_ins_code_2}${step.label_alt_id_2.length > 0 ? ` (alt ${step.label_alt_id_2})` : ''} </b><br />
48
+ <i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
49
49
  `;
50
50
  }
@@ -37,6 +37,7 @@ export declare const ConfalPyramidsParams: {
37
37
  scale: any;
38
38
  }>[];
39
39
  }>>;
40
+ emissive: PD.Numeric;
40
41
  instanceGranularity: PD.BooleanParam;
41
42
  lod: PD.Vec3;
42
43
  cellSize: PD.Numeric;
@@ -71,6 +72,7 @@ export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, struc
71
72
  scale: any;
72
73
  }>[];
73
74
  }>>;
75
+ emissive: PD.Numeric;
74
76
  instanceGranularity: PD.BooleanParam;
75
77
  lod: PD.Vec3;
76
78
  cellSize: PD.Numeric;
@@ -106,6 +108,7 @@ export declare const ConfalPyramidsRepresentationProvider: StructureRepresentati
106
108
  scale: any;
107
109
  }>[];
108
110
  }>>;
111
+ emissive: PD.Numeric;
109
112
  instanceGranularity: PD.BooleanParam;
110
113
  lod: PD.Vec3;
111
114
  cellSize: PD.Numeric;