molstar 3.0.0-dev.6 → 3.0.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (734) hide show
  1. package/README.md +7 -0
  2. package/build/viewer/index.html +4 -0
  3. package/build/viewer/molstar.js +1 -1
  4. package/lib/apps/viewer/app.d.ts +230 -0
  5. package/lib/apps/viewer/app.js +525 -0
  6. package/lib/apps/viewer/index.d.ts +2 -224
  7. package/lib/apps/viewer/index.html +4 -0
  8. package/lib/apps/viewer/index.js +2 -507
  9. package/lib/commonjs/apps/viewer/app.d.ts +230 -0
  10. package/lib/commonjs/apps/viewer/app.js +531 -0
  11. package/lib/commonjs/apps/viewer/index.d.ts +2 -224
  12. package/lib/commonjs/apps/viewer/index.js +2 -510
  13. package/lib/commonjs/examples/alpha-orbitals/index.js +1 -1
  14. package/lib/commonjs/examples/basic-wrapper/index.js +7 -3
  15. package/lib/commonjs/examples/proteopedia-wrapper/index.js +7 -1
  16. package/lib/commonjs/extensions/anvil/behavior.d.ts +4 -0
  17. package/lib/commonjs/extensions/anvil/representation.d.ts +50 -0
  18. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  19. package/lib/commonjs/extensions/cellpack/representation.d.ts +10 -0
  20. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +30 -0
  21. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +4 -4
  22. package/lib/commonjs/extensions/model-export/export.d.ts +9 -0
  23. package/lib/commonjs/extensions/model-export/export.js +129 -0
  24. package/lib/commonjs/extensions/model-export/index.d.ts +7 -0
  25. package/lib/commonjs/extensions/model-export/index.js +36 -0
  26. package/lib/commonjs/extensions/model-export/ui.d.ts +11 -0
  27. package/lib/commonjs/extensions/model-export/ui.js +77 -0
  28. package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
  29. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -2
  30. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +10 -0
  31. package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +2 -2
  32. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +50 -0
  33. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +15 -13
  34. package/lib/commonjs/mol-canvas3d/canvas3d.js +34 -29
  35. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
  36. package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
  37. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
  38. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +4 -0
  39. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
  40. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +4 -0
  41. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
  42. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  43. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
  44. package/lib/commonjs/mol-canvas3d/passes/draw.js +16 -15
  45. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
  46. package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
  47. package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
  48. package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +9 -2
  49. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +14 -12
  50. package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
  51. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +3 -3
  52. package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
  53. package/lib/commonjs/mol-geo/geometry/base.d.ts +18 -0
  54. package/lib/commonjs/mol-geo/geometry/base.js +18 -1
  55. package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
  56. package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
  57. package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
  58. package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
  59. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +10 -0
  60. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
  61. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +15 -38
  62. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +21 -66
  63. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
  64. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
  65. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +10 -0
  66. package/lib/commonjs/mol-geo/geometry/image/image.js +1 -1
  67. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +10 -0
  68. package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
  69. package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
  70. package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
  71. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +10 -0
  72. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
  73. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +10 -0
  74. package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
  75. package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
  76. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +10 -0
  77. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
  78. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +10 -0
  79. package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
  80. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +10 -0
  81. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
  82. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
  83. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
  84. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -9
  85. package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
  86. package/lib/commonjs/mol-gl/render-object.js +10 -10
  87. package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +11 -5
  88. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  89. package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +15 -14
  90. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  91. package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -4
  92. package/lib/commonjs/mol-gl/renderable/image.js +2 -2
  93. package/lib/commonjs/mol-gl/renderable/lines.d.ts +39 -33
  94. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  95. package/lib/commonjs/mol-gl/renderable/mesh.d.ts +11 -5
  96. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  97. package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -4
  98. package/lib/commonjs/mol-gl/renderable/points.js +2 -2
  99. package/lib/commonjs/mol-gl/renderable/schema.d.ts +10 -11
  100. package/lib/commonjs/mol-gl/renderable/schema.js +4 -10
  101. package/lib/commonjs/mol-gl/renderable/spheres.d.ts +11 -5
  102. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  103. package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -4
  104. package/lib/commonjs/mol-gl/renderable/text.js +2 -2
  105. package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +11 -6
  106. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  107. package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
  108. package/lib/commonjs/mol-gl/renderer.d.ts +12 -12
  109. package/lib/commonjs/mol-gl/renderer.js +23 -92
  110. package/lib/commonjs/mol-gl/scene.d.ts +2 -2
  111. package/lib/commonjs/mol-gl/scene.js +7 -5
  112. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +1 -1
  113. package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +1 -1
  114. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  115. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  116. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
  117. package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
  118. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
  119. package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
  120. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  121. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  122. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
  123. package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
  124. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
  125. package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
  126. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  127. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  128. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  129. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  130. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
  131. package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
  132. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
  133. package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
  134. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
  135. package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
  136. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
  137. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
  138. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
  139. package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
  140. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  141. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  142. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  143. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  144. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
  145. package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
  146. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
  147. package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
  148. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  149. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  150. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
  151. package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
  152. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  153. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  154. package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
  155. package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
  156. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  157. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  158. package/lib/commonjs/mol-gl/shader-code.d.ts +3 -1
  159. package/lib/commonjs/mol-gl/shader-code.js +43 -14
  160. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
  161. package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
  162. package/lib/commonjs/mol-gl/webgl/resources.js +8 -1
  163. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  164. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
  165. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
  166. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
  167. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +2 -2
  168. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
  169. package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
  170. package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
  171. package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
  172. package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
  173. package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
  174. package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
  175. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +6 -0
  176. package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +9 -0
  177. package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +3 -1
  178. package/lib/commonjs/mol-io/reader/sdf/parser.js +11 -2
  179. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +9 -2
  180. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
  181. package/lib/commonjs/mol-math/geometry/symmetry-operator.d.ts +1 -1
  182. package/lib/commonjs/mol-math/geometry/symmetry-operator.js +10 -4
  183. package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
  184. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
  185. package/lib/commonjs/mol-model/structure/export/mmcif.d.ts +1 -1
  186. package/lib/commonjs/mol-model/structure/export/mmcif.js +8 -5
  187. package/lib/commonjs/mol-model/structure/model/properties/common.d.ts +1 -1
  188. package/lib/commonjs/mol-model/structure/structure/element/stats.js +8 -0
  189. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -0
  190. package/lib/commonjs/mol-model/structure/structure/properties.js +2 -1
  191. package/lib/commonjs/mol-model/structure/structure/symmetry.js +1 -3
  192. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
  193. package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +11 -2
  194. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
  195. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +20 -10
  196. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  197. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +21 -11
  198. package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
  199. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +20 -0
  200. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +2 -2
  201. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +6 -6
  202. package/lib/commonjs/mol-model-formats/structure/basic/coarse.d.ts +1 -1
  203. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  204. package/lib/commonjs/mol-model-formats/structure/basic/entities.d.ts +2 -1
  205. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +28 -24
  206. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +17 -8
  207. package/lib/commonjs/mol-model-formats/structure/basic/properties.d.ts +6 -1
  208. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +12 -22
  209. package/lib/commonjs/mol-model-formats/structure/mol.d.ts +2 -1
  210. package/lib/commonjs/mol-model-formats/structure/mol.js +19 -5
  211. package/lib/commonjs/mol-model-formats/structure/mol2.d.ts +1 -1
  212. package/lib/commonjs/mol-model-formats/structure/mol2.js +37 -7
  213. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  214. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
  215. package/lib/commonjs/mol-model-props/common/custom-property.d.ts +1 -1
  216. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
  217. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
  218. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
  219. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +30 -0
  220. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
  221. package/lib/commonjs/mol-model-props/sequence/best-database-mapping.js +15 -15
  222. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -0
  223. package/lib/commonjs/mol-plugin/animation-loop.js +1 -1
  224. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +4 -6
  225. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
  226. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
  227. package/lib/commonjs/mol-plugin/commands.d.ts +7 -6
  228. package/lib/commonjs/mol-plugin/config.d.ts +1 -2
  229. package/lib/commonjs/mol-plugin/config.js +4 -25
  230. package/lib/commonjs/mol-plugin/features.d.ts +9 -0
  231. package/lib/commonjs/mol-plugin/features.js +38 -0
  232. package/lib/commonjs/mol-plugin/spec.d.ts +1 -1
  233. package/lib/commonjs/mol-plugin/spec.js +4 -1
  234. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +12 -0
  235. package/lib/commonjs/mol-plugin-state/actions/file.d.ts +3 -2
  236. package/lib/commonjs/mol-plugin-state/actions/file.js +67 -31
  237. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -0
  238. package/lib/commonjs/mol-plugin-state/actions/structure.js +41 -8
  239. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  240. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +62 -0
  241. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  242. package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
  243. package/lib/commonjs/mol-plugin-state/animation/model.d.ts +4 -0
  244. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
  245. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
  246. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
  247. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +74 -2
  248. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
  249. package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +1 -1
  250. package/lib/commonjs/mol-plugin-state/manager/animation.d.ts +5 -1
  251. package/lib/commonjs/mol-plugin-state/manager/animation.js +5 -5
  252. package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +13 -1
  253. package/lib/commonjs/mol-plugin-state/manager/structure/component.js +13 -8
  254. package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -1
  255. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +32 -0
  256. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  257. package/lib/commonjs/mol-plugin-ui/structure/superposition.js +2 -2
  258. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
  259. package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -14
  260. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +10 -0
  261. package/lib/commonjs/mol-repr/shape/loci/common.d.ts +10 -0
  262. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +10 -0
  263. package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +10 -0
  264. package/lib/commonjs/mol-repr/shape/loci/label.d.ts +10 -0
  265. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +10 -0
  266. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +10 -0
  267. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +10 -0
  268. package/lib/commonjs/mol-repr/structure/complex-representation.js +1 -1
  269. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +61 -19
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  554. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +21 -11
  555. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
  556. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +22 -12
  557. package/lib/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
  558. package/lib/mol-model-formats/shape/ply.d.ts +20 -0
  559. package/lib/mol-model-formats/structure/basic/atomic.d.ts +2 -2
  560. package/lib/mol-model-formats/structure/basic/atomic.js +6 -6
  561. package/lib/mol-model-formats/structure/basic/coarse.d.ts +1 -1
  562. package/lib/mol-model-formats/structure/basic/coarse.js +3 -3
  563. package/lib/mol-model-formats/structure/basic/entities.d.ts +2 -1
  564. package/lib/mol-model-formats/structure/basic/entities.js +25 -22
  565. package/lib/mol-model-formats/structure/basic/parser.js +19 -10
  566. package/lib/mol-model-formats/structure/basic/properties.d.ts +6 -1
  567. package/lib/mol-model-formats/structure/basic/properties.js +12 -25
  568. package/lib/mol-model-formats/structure/mol.d.ts +2 -1
  569. package/lib/mol-model-formats/structure/mol.js +17 -3
  570. package/lib/mol-model-formats/structure/mol2.d.ts +1 -1
  571. package/lib/mol-model-formats/structure/mol2.js +37 -7
  572. package/lib/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
  573. package/lib/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
  574. package/lib/mol-model-props/common/custom-property.d.ts +1 -1
  575. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
  576. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
  577. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
  578. package/lib/mol-model-props/computed/representations/interactions.d.ts +30 -0
  579. package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
  580. package/lib/mol-model-props/sequence/best-database-mapping.js +15 -15
  581. package/lib/mol-plugin/animation-loop.d.ts +2 -0
  582. package/lib/mol-plugin/animation-loop.js +1 -1
  583. package/lib/mol-plugin/behavior/dynamic/representation.js +4 -6
  584. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
  585. package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
  586. package/lib/mol-plugin/commands.d.ts +7 -6
  587. package/lib/mol-plugin/config.d.ts +1 -2
  588. package/lib/mol-plugin/config.js +3 -23
  589. package/lib/mol-plugin/features.d.ts +9 -0
  590. package/lib/mol-plugin/features.js +35 -0
  591. package/lib/mol-plugin/spec.d.ts +1 -1
  592. package/lib/mol-plugin/spec.js +4 -1
  593. package/lib/mol-plugin/util/viewport-screenshot.d.ts +12 -0
  594. package/lib/mol-plugin/version.js +2 -2
  595. package/lib/mol-plugin-state/actions/file.d.ts +3 -2
  596. package/lib/mol-plugin-state/actions/file.js +67 -31
  597. package/lib/mol-plugin-state/actions/structure.d.ts +1 -0
  598. package/lib/mol-plugin-state/actions/structure.js +41 -8
  599. package/lib/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
  600. package/lib/mol-plugin-state/animation/built-in/camera-rock.js +59 -0
  601. package/lib/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
  602. package/lib/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
  603. package/lib/mol-plugin-state/animation/model.d.ts +4 -0
  604. package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
  605. package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
  606. package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
  607. package/lib/mol-plugin-state/builder/structure/representation-preset.js +74 -2
  608. package/lib/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
  609. package/lib/mol-plugin-state/helpers/structure-clipping.js +1 -1
  610. package/lib/mol-plugin-state/manager/animation.d.ts +5 -1
  611. package/lib/mol-plugin-state/manager/animation.js +5 -5
  612. package/lib/mol-plugin-state/manager/structure/component.d.ts +13 -1
  613. package/lib/mol-plugin-state/manager/structure/component.js +13 -8
  614. package/lib/mol-plugin-state/manager/structure/selection.js +3 -1
  615. package/lib/mol-plugin-state/transforms/representation.d.ts +32 -0
  616. package/lib/mol-plugin-state/transforms/representation.js +2 -2
  617. package/lib/mol-plugin-ui/structure/superposition.js +2 -2
  618. package/lib/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
  619. package/lib/mol-plugin-ui/viewport/simple-settings.js +6 -14
  620. package/lib/mol-repr/shape/loci/angle.d.ts +10 -0
  621. package/lib/mol-repr/shape/loci/common.d.ts +10 -0
  622. package/lib/mol-repr/shape/loci/dihedral.d.ts +10 -0
  623. package/lib/mol-repr/shape/loci/distance.d.ts +10 -0
  624. package/lib/mol-repr/shape/loci/label.d.ts +10 -0
  625. package/lib/mol-repr/shape/loci/orientation.d.ts +10 -0
  626. package/lib/mol-repr/shape/loci/plane.d.ts +10 -0
  627. package/lib/mol-repr/shape/model/unitcell.d.ts +10 -0
  628. package/lib/mol-repr/structure/complex-representation.js +1 -1
  629. package/lib/mol-repr/structure/complex-visual.d.ts +61 -19
  630. package/lib/mol-repr/structure/params.d.ts +81 -19
  631. package/lib/mol-repr/structure/registry.d.ts +141 -19
  632. package/lib/mol-repr/structure/representation/backbone.d.ts +30 -0
  633. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +30 -0
  634. package/lib/mol-repr/structure/representation/carbohydrate.d.ts +30 -0
  635. package/lib/mol-repr/structure/representation/cartoon.d.ts +30 -0
  636. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +30 -0
  637. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +30 -0
  638. package/lib/mol-repr/structure/representation/gaussian-surface.js +1 -1
  639. package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +34 -58
  640. package/lib/mol-repr/structure/representation/gaussian-volume.js +2 -7
  641. package/lib/mol-repr/structure/representation/label.d.ts +30 -0
  642. package/lib/mol-repr/structure/representation/label.js +1 -1
  643. package/lib/mol-repr/structure/representation/line.d.ts +30 -0
  644. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +30 -0
  645. package/lib/mol-repr/structure/representation/molecular-surface.js +1 -1
  646. package/lib/mol-repr/structure/representation/orientation.d.ts +30 -0
  647. package/lib/mol-repr/structure/representation/point.d.ts +30 -0
  648. package/lib/mol-repr/structure/representation/putty.d.ts +30 -0
  649. package/lib/mol-repr/structure/representation/spacefill.d.ts +30 -0
  650. package/lib/mol-repr/structure/units-representation.js +1 -1
  651. package/lib/mol-repr/structure/units-visual.d.ts +81 -19
  652. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +20 -0
  653. package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +10 -0
  654. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +20 -0
  655. package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +10 -0
  656. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +11 -1
  657. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +8 -4
  658. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +11 -1
  659. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +10 -6
  660. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +11 -1
  661. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +8 -4
  662. package/lib/mol-repr/structure/visual/element-cross.d.ts +10 -0
  663. package/lib/mol-repr/structure/visual/element-point.d.ts +10 -0
  664. package/lib/mol-repr/structure/visual/element-sphere.d.ts +20 -0
  665. package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +10 -0
  666. package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +22 -38
  667. package/lib/mol-repr/structure/visual/gaussian-density-volume.js +8 -6
  668. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +40 -0
  669. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +11 -8
  670. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +10 -0
  671. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +1 -1
  672. package/lib/mol-repr/structure/visual/label-text.d.ts +10 -0
  673. package/lib/mol-repr/structure/visual/label-text.js +1 -2
  674. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +10 -0
  675. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +1 -1
  676. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +10 -0
  677. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +1 -1
  678. package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +10 -0
  679. package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +10 -0
  680. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +10 -0
  681. package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +20 -0
  682. package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +20 -0
  683. package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +10 -0
  684. package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +10 -0
  685. package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +10 -0
  686. package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +10 -0
  687. package/lib/mol-repr/structure/visual/util/common.d.ts +3 -2
  688. package/lib/mol-repr/structure/visual/util/common.js +2 -5
  689. package/lib/mol-repr/structure/visual/util/gaussian.d.ts +7 -6
  690. package/lib/mol-repr/structure/visual/util/gaussian.js +12 -12
  691. package/lib/mol-repr/structure/visual/util/molecular-surface.d.ts +2 -1
  692. package/lib/mol-repr/structure/visual/util/molecular-surface.js +4 -4
  693. package/lib/mol-repr/visual.d.ts +1 -1
  694. package/lib/mol-repr/visual.js +13 -8
  695. package/lib/mol-repr/volume/direct-volume.d.ts +33 -57
  696. package/lib/mol-repr/volume/direct-volume.js +8 -12
  697. package/lib/mol-repr/volume/isosurface.d.ts +60 -0
  698. package/lib/mol-repr/volume/isosurface.js +11 -2
  699. package/lib/mol-repr/volume/registry.d.ts +31 -19
  700. package/lib/mol-repr/volume/representation.d.ts +10 -0
  701. package/lib/mol-repr/volume/slice.d.ts +30 -0
  702. package/lib/mol-repr/volume/slice.js +2 -2
  703. package/lib/mol-repr/volume/util.js +2 -2
  704. package/lib/mol-state/tree/immutable.d.ts +18 -0
  705. package/lib/mol-state/tree/transient.d.ts +3 -4
  706. package/lib/mol-theme/clipping.d.ts +7 -15
  707. package/lib/mol-theme/clipping.js +5 -12
  708. package/lib/mol-theme/color/element-symbol.d.ts +243 -1
  709. package/lib/mol-theme/color/element-symbol.js +10 -5
  710. package/lib/mol-theme/color/entity-id.d.ts +1 -1
  711. package/lib/mol-theme/color/entity-id.js +26 -5
  712. package/lib/mol-theme/color/illustrative.d.ts +100 -29
  713. package/lib/mol-theme/color/illustrative.js +26 -7
  714. package/lib/mol-theme/color/molecule-type.d.ts +19 -1
  715. package/lib/mol-theme/color/molecule-type.js +10 -5
  716. package/lib/mol-theme/color/residue-name.d.ts +77 -1
  717. package/lib/mol-theme/color/residue-name.js +10 -5
  718. package/lib/mol-theme/color/secondary-structure.d.ts +27 -1
  719. package/lib/mol-theme/color/secondary-structure.js +10 -5
  720. package/lib/mol-theme/color/volume-value.d.ts +17 -0
  721. package/lib/mol-theme/color/volume-value.js +52 -0
  722. package/lib/mol-theme/color.d.ts +233 -14
  723. package/lib/mol-theme/color.js +2 -0
  724. package/lib/mol-util/clip.d.ts +49 -0
  725. package/lib/mol-util/clip.js +93 -0
  726. package/lib/mol-util/color/color.d.ts +1 -1
  727. package/lib/mol-util/color/color.js +1 -1
  728. package/lib/mol-util/color/params.d.ts +10 -0
  729. package/lib/mol-util/color/params.js +15 -0
  730. package/lib/mol-util/number-packing.d.ts +11 -0
  731. package/lib/mol-util/{float-packing.js → number-packing.js} +7 -14
  732. package/package.json +36 -35
  733. package/lib/commonjs/mol-util/float-packing.d.ts +0 -15
  734. package/lib/mol-util/float-packing.d.ts +0 -15
@@ -128,6 +128,127 @@ declare namespace ColorTheme {
128
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  }>, "operator-name">>;
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  saturation: PD.Numeric;
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  lightness: PD.Numeric;
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+ colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
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+ H: Color;
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+ D: Color;
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+ T: Color;
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+ HE: Color;
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+ LI: Color;
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+ BE: Color;
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+ B: Color;
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+ C: Color;
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+ N: Color;
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+ O: Color;
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+ F: Color;
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+ NE: Color;
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+ NA: Color;
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+ MG: Color;
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+ AL: Color;
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+ SI: Color;
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+ P: Color;
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+ S: Color;
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+ CL: Color;
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+ AR: Color;
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+ K: Color;
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+ CA: Color;
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+ SC: Color;
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+ TI: Color;
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+ V: Color;
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+ CR: Color;
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+ MN: Color;
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+ FE: Color;
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+ CO: Color;
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+ NI: Color;
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+ CU: Color;
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+ ZN: Color;
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+ GA: Color;
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+ GE: Color;
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+ AS: Color;
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+ SE: Color;
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+ BR: Color;
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+ KR: Color;
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+ RB: Color;
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+ SR: Color;
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+ Y: Color;
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+ ZR: Color;
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+ NB: Color;
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+ MO: Color;
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+ TC: Color;
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+ RU: Color;
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+ RH: Color;
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+ PD: Color;
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+ AG: Color;
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+ CD: Color;
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+ IN: Color;
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+ SN: Color;
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+ SB: Color;
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+ TE: Color;
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+ I: Color;
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+ XE: Color;
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+ CS: Color;
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+ BA: Color;
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+ LA: Color;
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+ CE: Color;
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+ PR: Color;
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+ ND: Color;
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+ PM: Color;
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+ SM: Color;
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+ EU: Color;
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+ GD: Color;
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+ TB: Color;
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+ DY: Color;
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+ HO: Color;
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+ ER: Color;
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+ TM: Color;
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+ YB: Color;
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+ LU: Color;
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+ HF: Color;
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+ TA: Color;
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+ W: Color;
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+ RE: Color;
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+ OS: Color;
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+ IR: Color;
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+ PT: Color;
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+ AU: Color;
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+ HG: Color;
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+ TL: Color;
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+ PB: Color;
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+ BI: Color;
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+ PO: Color;
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+ AT: Color;
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+ RN: Color;
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+ FR: Color;
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+ RA: Color;
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+ AC: Color;
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+ TH: Color;
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+ PA: Color;
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+ U: Color;
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+ NP: Color;
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+ PU: Color;
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+ AM: Color;
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+ CM: Color;
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+ BK: Color;
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+ CF: Color;
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+ ES: Color;
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+ FM: Color;
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+ MD: Color;
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+ NO: Color;
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+ LR: Color;
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+ RF: Color;
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+ DB: Color;
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+ SG: Color;
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+ BH: Color;
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+ HS: Color;
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+ MT: Color;
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+ DS: Color;
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+ RG: Color;
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+ CN: Color;
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+ UUT: Color;
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+ FL: Color;
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+ UUP: Color;
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+ LV: Color;
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+ UUH: Color;
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+ }>, "custom">>;
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  }, "element-symbol">;
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  'entity-id': Provider<{
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  palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
@@ -164,21 +285,56 @@ declare namespace ColorTheme {
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  scale: PD.Select<"DGwif" | "DGwoct" | "Oct-IF">;
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  }, "hydrophobicity">;
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  illustrative: Provider<{
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+ style: PD.Mapped<PD.NamedParams<PD.Normalize<{
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+ value: Color;
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+ }>, "uniform"> | PD.NamedParams<PD.Normalize<{
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+ palette: PD.NamedParams<PD.Normalize<{
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+ maxCount: any;
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+ hue: any;
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+ chroma: any;
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+ luminance: any;
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+ clusteringStepCount: any;
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+ minSampleCount: any;
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+ }>, "generate"> | PD.NamedParams<PD.Normalize<{
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+ list: any;
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+ }>, "colors">;
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+ asymId: "label" | "auth";
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+ }>, "chain-id"> | PD.NamedParams<PD.Normalize<{
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+ saturation: number;
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+ lightness: number;
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+ colors: PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
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+ water: any;
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+ ion: any;
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+ protein: any;
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+ RNA: any;
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+ DNA: any;
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+ PNA: any;
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+ saccharide: any;
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+ }>, "custom">;
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+ }>, "molecule-type"> | PD.NamedParams<PD.Normalize<{
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+ palette: PD.NamedParams<PD.Normalize<{
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+ maxCount: any;
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+ hue: any;
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+ chroma: any;
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+ luminance: any;
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+ clusteringStepCount: any;
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+ minSampleCount: any;
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+ }>, "generate"> | PD.NamedParams<PD.Normalize<{
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+ list: any;
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+ }>, "colors">;
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+ }>, "entity-source"> | PD.NamedParams<PD.Normalize<{
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+ palette: PD.NamedParams<PD.Normalize<{
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+ maxCount: any;
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+ hue: any;
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+ chroma: any;
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+ luminance: any;
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+ clusteringStepCount: any;
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+ minSampleCount: any;
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+ }>, "generate"> | PD.NamedParams<PD.Normalize<{
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+ list: any;
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+ }>, "colors">;
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+ }>, "entity-id">>;
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  carbonLightness: PD.Numeric;
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- palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
169
- maxCount: number;
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- hue: [number, number];
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- chroma: [number, number];
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- luminance: [number, number];
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- clusteringStepCount: number;
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- minSampleCount: number;
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- }>, "generate"> | PD.NamedParams<PD.Normalize<{
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- list: {
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- kind: "set" | "interpolate";
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- colors: import("../mol-util/color/color").ColorListEntry[];
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- };
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- }>, "colors">>;
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- asymId: PD.Select<"label" | "auth">;
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  }, "illustrative">;
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  'model-index': Provider<{
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  palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
@@ -198,6 +354,15 @@ declare namespace ColorTheme {
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  'molecule-type': Provider<{
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  saturation: PD.Numeric;
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  lightness: PD.Numeric;
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+ colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
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+ water: Color;
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+ ion: Color;
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+ protein: Color;
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+ RNA: Color;
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+ DNA: Color;
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+ PNA: Color;
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+ saccharide: Color;
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+ }>, "custom">>;
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  }, "molecule-type">;
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  occupancy: Provider<{
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  domain: PD.Interval;
@@ -270,10 +435,61 @@ declare namespace ColorTheme {
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  'residue-name': Provider<{
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  saturation: PD.Numeric;
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  lightness: PD.Numeric;
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+ colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
439
+ ALA: Color;
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+ ARG: Color;
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+ ASN: Color;
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+ ASP: Color;
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+ CYS: Color;
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+ GLN: Color;
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+ GLU: Color;
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+ GLY: Color;
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+ HIS: Color;
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+ ILE: Color;
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+ LEU: Color;
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+ LYS: Color;
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+ MET: Color;
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+ PHE: Color;
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+ PRO: Color;
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+ SER: Color;
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+ THR: Color;
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+ TRP: Color;
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+ TYR: Color;
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+ VAL: Color;
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+ A: Color;
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+ G: Color;
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+ I: Color;
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+ C: Color;
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+ T: Color;
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+ U: Color;
465
+ DA: Color;
466
+ DG: Color;
467
+ DI: Color;
468
+ DC: Color;
469
+ DT: Color;
470
+ DU: Color;
471
+ APN: Color;
472
+ GPN: Color;
473
+ CPN: Color;
474
+ TPN: Color;
475
+ }>, "custom">>;
273
476
  }, "residue-name">;
274
477
  'secondary-structure': Provider<{
275
478
  saturation: PD.Numeric;
276
479
  lightness: PD.Numeric;
480
+ colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
481
+ alphaHelix: Color;
482
+ threeTenHelix: Color;
483
+ piHelix: Color;
484
+ betaTurn: Color;
485
+ betaStrand: Color;
486
+ coil: Color;
487
+ bend: Color;
488
+ turn: Color;
489
+ dna: Color;
490
+ rna: Color;
491
+ carbohydrate: Color;
492
+ }>, "custom">>;
277
493
  }, "secondary-structure">;
278
494
  'sequence-id': Provider<{
279
495
  list: PD.ColorList;
@@ -301,6 +517,9 @@ declare namespace ColorTheme {
301
517
  uniform: Provider<{
302
518
  value: PD.Color;
303
519
  }, "uniform">;
520
+ 'volume-value': Provider<{
521
+ colorList: PD.ColorList;
522
+ }, "volume-value">;
304
523
  };
305
524
  type _BuiltIn = typeof BuiltIn;
306
525
  export type BuiltIn = keyof _BuiltIn;
@@ -30,6 +30,7 @@ import { OperatorHklColorThemeProvider } from './color/operator-hkl';
30
30
  import { PartialChargeColorThemeProvider } from './color/partial-charge';
31
31
  import { AtomIdColorThemeProvider } from './color/atom-id';
32
32
  import { EntityIdColorThemeProvider } from './color/entity-id';
33
+ import { VolumeValueColorThemeProvider } from './color/volume-value';
33
34
  export { ColorTheme };
34
35
  var ColorTheme;
35
36
  (function (ColorTheme) {
@@ -76,6 +77,7 @@ var ColorTheme;
76
77
  'uncertainty': UncertaintyColorThemeProvider,
77
78
  'unit-index': UnitIndexColorThemeProvider,
78
79
  'uniform': UniformColorThemeProvider,
80
+ 'volume-value': VolumeValueColorThemeProvider,
79
81
  };
80
82
  })(ColorTheme || (ColorTheme = {}));
81
83
  export function ColorThemeProvider(p) { return p; }
@@ -0,0 +1,49 @@
1
+ /**
2
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { Vec3 } from '../mol-math/linear-algebra';
7
+ import { ParamDefinition as PD } from './param-definition';
8
+ export interface Clip {
9
+ variant: Clip.Variant;
10
+ objects: Clip.Objects;
11
+ }
12
+ export declare function Clip(): void;
13
+ export declare namespace Clip {
14
+ /** Clip object types */
15
+ const Type: {
16
+ none: number;
17
+ plane: number;
18
+ sphere: number;
19
+ cube: number;
20
+ cylinder: number;
21
+ infiniteCone: number;
22
+ };
23
+ type Variant = 'instance' | 'pixel';
24
+ type Objects = {
25
+ count: number;
26
+ type: number[];
27
+ invert: boolean[];
28
+ position: number[];
29
+ rotation: number[];
30
+ scale: number[];
31
+ };
32
+ const Params: {
33
+ variant: PD.Select<Variant>;
34
+ objects: PD.ObjectList<PD.Normalize<{
35
+ type: "none" | "sphere" | "cube" | "plane" | "cylinder" | "infiniteCone";
36
+ invert: boolean;
37
+ position: Vec3;
38
+ rotation: PD.Normalize<{
39
+ axis: any;
40
+ angle: any;
41
+ }>;
42
+ scale: Vec3;
43
+ }>>;
44
+ };
45
+ type Params = typeof Params;
46
+ type Props = PD.Values<Params>;
47
+ function getClip(props: Props, clip?: Clip): Clip;
48
+ function areEqual(cA: Clip, cB: Clip): boolean;
49
+ }
@@ -0,0 +1,93 @@
1
+ /**
2
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { Quat, Vec3 } from '../mol-math/linear-algebra';
7
+ import { degToRad } from '../mol-math/misc';
8
+ import { ParamDefinition as PD } from './param-definition';
9
+ import { stringToWords } from './string';
10
+ export function Clip() {
11
+ }
12
+ (function (Clip) {
13
+ /** Clip object types */
14
+ Clip.Type = {
15
+ none: 0,
16
+ plane: 1,
17
+ sphere: 2,
18
+ cube: 3,
19
+ cylinder: 4,
20
+ infiniteCone: 5,
21
+ };
22
+ Clip.Params = {
23
+ variant: PD.Select('pixel', PD.arrayToOptions(['instance', 'pixel'])),
24
+ objects: PD.ObjectList({
25
+ type: PD.Select('plane', PD.objectToOptions(Clip.Type, function (t) { return stringToWords(t); })),
26
+ invert: PD.Boolean(false),
27
+ position: PD.Vec3(Vec3()),
28
+ rotation: PD.Group({
29
+ axis: PD.Vec3(Vec3.create(1, 0, 0)),
30
+ angle: PD.Numeric(0, { min: -180, max: 180, step: 1 }, { description: 'Angle in Degrees' }),
31
+ }, { isExpanded: true }),
32
+ scale: PD.Vec3(Vec3.create(1, 1, 1)),
33
+ }, function (o) { return stringToWords(o.type); })
34
+ };
35
+ function createClipObjects() {
36
+ return {
37
+ count: 0,
38
+ type: (new Array(5)).fill(1),
39
+ invert: (new Array(5)).fill(false),
40
+ position: (new Array(5 * 3)).fill(0),
41
+ rotation: (new Array(5 * 4)).fill(0),
42
+ scale: (new Array(5 * 3)).fill(1),
43
+ };
44
+ }
45
+ var qA = Quat();
46
+ var qB = Quat();
47
+ var vA = Vec3();
48
+ var vB = Vec3();
49
+ function getClip(props, clip) {
50
+ var _a = (clip === null || clip === void 0 ? void 0 : clip.objects) || createClipObjects(), type = _a.type, invert = _a.invert, position = _a.position, rotation = _a.rotation, scale = _a.scale;
51
+ for (var i = 0, il = props.objects.length; i < il; ++i) {
52
+ var p = props.objects[i];
53
+ type[i] = Clip.Type[p.type];
54
+ invert[i] = p.invert;
55
+ Vec3.toArray(p.position, position, i * 3);
56
+ Quat.toArray(Quat.setAxisAngle(qA, p.rotation.axis, degToRad(p.rotation.angle)), rotation, i * 4);
57
+ Vec3.toArray(p.scale, scale, i * 3);
58
+ }
59
+ return {
60
+ variant: props.variant,
61
+ objects: { count: props.objects.length, type: type, invert: invert, position: position, rotation: rotation, scale: scale }
62
+ };
63
+ }
64
+ Clip.getClip = getClip;
65
+ function areEqual(cA, cB) {
66
+ if (cA.variant !== cB.variant)
67
+ return false;
68
+ if (cA.objects.count !== cB.objects.count)
69
+ return false;
70
+ var oA = cA.objects, oB = cB.objects;
71
+ for (var i = 0, il = oA.count; i < il; ++i) {
72
+ if (oA.invert[i] !== oB.invert[i])
73
+ return false;
74
+ if (oA.type[i] !== oB.type[i])
75
+ return false;
76
+ Vec3.fromArray(vA, oA.position, i * 3);
77
+ Vec3.fromArray(vB, oB.position, i * 3);
78
+ if (!Vec3.equals(vA, vB))
79
+ return false;
80
+ Vec3.fromArray(vA, oA.scale, i * 3);
81
+ Vec3.fromArray(vB, oB.scale, i * 3);
82
+ if (!Vec3.equals(vA, vB))
83
+ return false;
84
+ Quat.fromArray(qA, oA.rotation, i * 4);
85
+ Quat.fromArray(qB, oB.rotation, i * 4);
86
+ if (!Quat.equals(qA, qB))
87
+ return false;
88
+ }
89
+ return true;
90
+ }
91
+ Clip.areEqual = areEqual;
92
+ })(Clip || (Clip = {}));
93
+ //# sourceMappingURL=clip.js.map
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -0,0 +1,10 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { ParamDefinition as PD } from '../../mol-util/param-definition';
7
+ import { ColorMap } from './color';
8
+ export declare function getColorMapParams<T extends {
9
+ [k: string]: number;
10
+ }>(map: ColorMap<T>): { [k in keyof T]: PD.Color; };
@@ -0,0 +1,15 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { ParamDefinition as PD } from '../../mol-util/param-definition';
7
+ import { objectForEach } from '../object';
8
+ export function getColorMapParams(map) {
9
+ var colors = {};
10
+ objectForEach(map, function (_, k) {
11
+ colors[k] = PD.Color(map[k]);
12
+ });
13
+ return colors;
14
+ }
15
+ //# sourceMappingURL=params.js.map
@@ -0,0 +1,11 @@
1
+ /**
2
+ * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { NumberArray } from './type-helpers';
7
+ /** encode positive integer as rgb byte triplet into array at offset */
8
+ export declare function packIntToRGBArray(value: number, array: NumberArray, offset: number): NumberArray;
9
+ /** decode positive integer encoded as rgb byte triplet */
10
+ export declare function unpackRGBToInt(r: number, g: number, b: number): number;
11
+ export declare function unpackRGBAToDepth(r: number, g: number, b: number, a: number): number;
@@ -1,20 +1,13 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2021 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 { clamp } from '../mol-math/interpolate';
7
- import { fasterExp, fasterLog } from '../mol-math/approx';
8
7
  import { Vec3, Vec4 } from '../mol-math/linear-algebra';
9
- var maxFloat = 10000.0; // NOTE same constant is set in shaders
10
- var floatLogFactor = fasterLog(maxFloat + 1);
11
- /** encode float logarithmically */
12
- export function encodeFloatLog(value) { return fasterLog(value + 1) / floatLogFactor; }
13
- /** decode logarithmically encoded float */
14
- export function decodeFloatLog(value) { return fasterExp(value * floatLogFactor) - 1; }
15
- /** encode float as rgb triplet into array at offset */
16
- export function encodeFloatRGBtoArray(value, array, offset) {
17
- value = clamp(value, 0, 16777216 - 1) + 1;
8
+ /** encode positive integer as rgb byte triplet into array at offset */
9
+ export function packIntToRGBArray(value, array, offset) {
10
+ value = clamp(Math.round(value), 0, 16777216 - 1) + 1;
18
11
  array[offset + 2] = value % 256;
19
12
  value = Math.floor(value / 256);
20
13
  array[offset + 1] = value % 256;
@@ -22,8 +15,8 @@ export function encodeFloatRGBtoArray(value, array, offset) {
22
15
  array[offset] = value % 256;
23
16
  return array;
24
17
  }
25
- /** decode float encoded as rgb triplet */
26
- export function decodeFloatRGB(r, g, b) {
18
+ /** decode positive integer encoded as rgb byte triplet */
19
+ export function unpackRGBToInt(r, g, b) {
27
20
  return (Math.floor(r) * 256 * 256 + Math.floor(g) * 256 + Math.floor(b)) - 1;
28
21
  }
29
22
  var UnpackDownscale = 255 / 256; // 0..1 -> fraction (excluding 1)
@@ -34,4 +27,4 @@ export function unpackRGBAToDepth(r, g, b, a) {
34
27
  Vec4.set(tmpDepthRGBA, r / 255, g / 255, b / 255, a / 255);
35
28
  return Vec4.dot(tmpDepthRGBA, UnpackFactors);
36
29
  }
37
- //# sourceMappingURL=float-packing.js.map
30
+ //# sourceMappingURL=number-packing.js.map
package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "molstar",
3
- "version": "3.0.0-dev.6",
3
+ "version": "3.0.0",
4
4
  "description": "A comprehensive macromolecular library.",
5
5
  "homepage": "https://github.com/molstar/molstar#readme",
6
6
  "repository": {
@@ -86,45 +86,46 @@
86
86
  "Áron Samuel Kovács <aron.kovacs@mail.muni.cz>",
87
87
  "Ludovic Autin <autin@scripps.edu>",
88
88
  "Michal Malý <michal.maly@ibt.cas.cz>",
89
- "Jiří Černý <jiri.cerny@ibt.cas.cz>"
89
+ "Jiří Černý <jiri.cerny@ibt.cas.cz>",
90
+ "Panagiotis Tourlas <panagiot_tourlov@hotmail.com>"
90
91
  ],
91
92
  "license": "MIT",
92
93
  "devDependencies": {
93
- "@graphql-codegen/add": "^3.1.0",
94
- "@graphql-codegen/cli": "^2.3.0",
95
- "@graphql-codegen/time": "^3.1.0",
96
- "@graphql-codegen/typescript": "^2.4.1",
97
- "@graphql-codegen/typescript-graphql-files-modules": "^2.1.0",
98
- "@graphql-codegen/typescript-graphql-request": "^4.3.1",
99
- "@graphql-codegen/typescript-operations": "^2.2.1",
94
+ "@graphql-codegen/add": "^3.1.1",
95
+ "@graphql-codegen/cli": "^2.4.0",
96
+ "@graphql-codegen/time": "^3.1.1",
97
+ "@graphql-codegen/typescript": "^2.4.2",
98
+ "@graphql-codegen/typescript-graphql-files-modules": "^2.1.1",
99
+ "@graphql-codegen/typescript-graphql-request": "^4.3.3",
100
+ "@graphql-codegen/typescript-operations": "^2.2.2",
100
101
  "@types/cors": "^2.8.12",
101
102
  "@types/gl": "^4.1.0",
102
- "@types/jest": "^27.0.3",
103
- "@typescript-eslint/eslint-plugin": "^5.5.0",
104
- "@typescript-eslint/parser": "^5.5.0",
103
+ "@types/jest": "^27.4.0",
104
+ "@typescript-eslint/eslint-plugin": "^5.10.0",
105
+ "@typescript-eslint/parser": "^5.10.0",
105
106
  "benchmark": "^2.1.4",
106
- "concurrently": "^6.4.0",
107
- "cpx2": "^4.0.0",
107
+ "concurrently": "^7.0.0",
108
+ "cpx2": "^4.1.2",
108
109
  "crypto-browserify": "^3.12.0",
109
110
  "css-loader": "^6.5.1",
110
- "eslint": "^8.3.0",
111
+ "eslint": "^8.7.0",
111
112
  "extra-watch-webpack-plugin": "^1.0.3",
112
113
  "file-loader": "^6.2.0",
113
114
  "fs-extra": "^10.0.0",
114
- "graphql": "^15.7.2",
115
- "http-server": "^14.0.0",
116
- "jest": "^27.3.1",
117
- "mini-css-extract-plugin": "^2.4.5",
115
+ "graphql": "^16.2.0",
116
+ "http-server": "^14.1.0",
117
+ "jest": "^27.4.7",
118
+ "mini-css-extract-plugin": "^2.5.2",
118
119
  "path-browserify": "^1.0.1",
119
120
  "raw-loader": "^4.0.2",
120
- "sass": "^1.43.5",
121
- "sass-loader": "^12.3.0",
122
- "simple-git": "^2.47.0",
121
+ "sass": "^1.49.0",
122
+ "sass-loader": "^12.4.0",
123
+ "simple-git": "^2.48.0",
123
124
  "stream-browserify": "^3.0.0",
124
125
  "style-loader": "^3.3.1",
125
- "ts-jest": "^27.0.7",
126
- "typescript": "^4.5.2",
127
- "webpack": "^5.64.4",
126
+ "ts-jest": "^27.1.3",
127
+ "typescript": "^4.5.5",
128
+ "webpack": "^5.67.0",
128
129
  "webpack-cli": "^4.9.1"
129
130
  },
130
131
  "dependencies": {
@@ -132,22 +133,22 @@
132
133
  "@types/benchmark": "^2.1.1",
133
134
  "@types/compression": "1.7.2",
134
135
  "@types/express": "^4.17.13",
135
- "@types/node": "^16.11.10",
136
+ "@types/node": "^16.11.21",
136
137
  "@types/node-fetch": "^2.5.12",
137
- "@types/react": "^17.0.37",
138
+ "@types/react": "^17.0.38",
138
139
  "@types/react-dom": "^17.0.11",
139
140
  "@types/swagger-ui-dist": "3.30.1",
140
141
  "argparse": "^2.0.1",
141
- "body-parser": "^1.19.0",
142
+ "body-parser": "^1.19.1",
142
143
  "compression": "^1.7.4",
143
144
  "cors": "^2.8.5",
144
- "express": "^4.17.1",
145
+ "express": "^4.17.2",
145
146
  "h264-mp4-encoder": "^1.0.12",
146
- "immer": "^9.0.7",
147
- "immutable": "^3.8.2",
148
- "node-fetch": "^2.6.2",
149
- "rxjs": "^7.4.0",
150
- "swagger-ui-dist": "^4.1.1",
147
+ "immer": "^9.0.12",
148
+ "immutable": "^4.0.0",
149
+ "node-fetch": "^2.6.7",
150
+ "rxjs": "^7.5.2",
151
+ "swagger-ui-dist": "^4.2.1",
151
152
  "tslib": "^2.3.1",
152
153
  "util.promisify": "^1.1.1",
153
154
  "xhr2": "^0.2.1"
@@ -157,6 +158,6 @@
157
158
  "react-dom": "^17.0.2"
158
159
  },
159
160
  "optionalDependencies": {
160
- "gl": "^4.9.2"
161
+ "gl": "^5.0.0"
161
162
  }
162
163
  }
@@ -1,15 +0,0 @@
1
- /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
- *
4
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
- */
6
- import { NumberArray } from './type-helpers';
7
- /** encode float logarithmically */
8
- export declare function encodeFloatLog(value: number): number;
9
- /** decode logarithmically encoded float */
10
- export declare function decodeFloatLog(value: number): number;
11
- /** encode float as rgb triplet into array at offset */
12
- export declare function encodeFloatRGBtoArray(value: number, array: NumberArray, offset: number): NumberArray;
13
- /** decode float encoded as rgb triplet */
14
- export declare function decodeFloatRGB(r: number, g: number, b: number): number;
15
- export declare function unpackRGBAToDepth(r: number, g: number, b: number, a: number): number;