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
@@ -60,6 +60,16 @@ export declare const UnitsMeshParams: {
60
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  roughness: number;
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  bumpiness: number;
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  }>>;
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+ clip: PD.Group<PD.Normalize<{
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+ variant: import("../../mol-util/clip").Clip.Variant;
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+ objects: PD.Normalize<{
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+ type: any;
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+ invert: any;
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+ position: any;
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+ rotation: any;
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+ scale: any;
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+ }>[];
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+ }>>;
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  };
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  export declare type UnitsMeshParams = typeof UnitsMeshParams;
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  export interface UnitsMeshVisualBuilder<P extends UnitsMeshParams> extends UnitsVisualBuilder<P, Mesh> {
@@ -81,6 +91,16 @@ export declare const UnitsSpheresParams: {
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  roughness: number;
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  bumpiness: number;
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  }>>;
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+ clip: PD.Group<PD.Normalize<{
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+ variant: import("../../mol-util/clip").Clip.Variant;
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+ objects: PD.Normalize<{
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+ type: any;
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+ invert: any;
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+ position: any;
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+ rotation: any;
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+ scale: any;
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+ }>[];
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+ }>>;
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  };
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  export declare type UnitsSpheresParams = typeof UnitsSpheresParams;
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  export interface UnitsSpheresVisualBuilder<P extends UnitsSpheresParams> extends UnitsVisualBuilder<P, Spheres> {
@@ -103,6 +123,16 @@ export declare const UnitsCylindersParams: {
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  roughness: number;
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  bumpiness: number;
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  }>>;
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+ clip: PD.Group<PD.Normalize<{
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+ variant: import("../../mol-util/clip").Clip.Variant;
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+ objects: PD.Normalize<{
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+ type: any;
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+ invert: any;
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+ position: any;
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+ rotation: any;
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+ scale: any;
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+ }>[];
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+ }>>;
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  };
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  export declare type UnitsCylindersParams = typeof UnitsCylindersParams;
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  export interface UnitsCylindersVisualBuilder<P extends UnitsCylindersParams> extends UnitsVisualBuilder<P, Cylinders> {
@@ -121,6 +151,16 @@ export declare const UnitsPointsParams: {
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  roughness: number;
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  bumpiness: number;
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  }>>;
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+ clip: PD.Group<PD.Normalize<{
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+ variant: import("../../mol-util/clip").Clip.Variant;
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+ objects: PD.Normalize<{
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+ type: any;
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+ invert: any;
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+ position: any;
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+ rotation: any;
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+ scale: any;
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+ }>[];
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+ }>>;
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  };
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  export declare type UnitsPointsParams = typeof UnitsPointsParams;
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  export interface UnitsPointVisualBuilder<P extends UnitsPointsParams> extends UnitsVisualBuilder<P, Points> {
@@ -138,6 +178,16 @@ export declare const UnitsLinesParams: {
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  roughness: number;
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  bumpiness: number;
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  }>>;
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+ clip: PD.Group<PD.Normalize<{
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+ variant: import("../../mol-util/clip").Clip.Variant;
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+ objects: PD.Normalize<{
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+ type: any;
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+ invert: any;
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+ position: any;
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+ rotation: any;
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+ scale: any;
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+ }>[];
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+ }>>;
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  };
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  export declare type UnitsLinesParams = typeof UnitsLinesParams;
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  export interface UnitsLinesVisualBuilder<P extends UnitsLinesParams> extends UnitsVisualBuilder<P, Lines> {
@@ -172,6 +222,16 @@ export declare const UnitsTextParams: {
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  roughness: number;
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  bumpiness: number;
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  }>>;
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+ clip: PD.Group<PD.Normalize<{
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+ variant: import("../../mol-util/clip").Clip.Variant;
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+ objects: PD.Normalize<{
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+ type: any;
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+ invert: any;
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+ position: any;
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+ rotation: any;
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+ scale: any;
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+ }>[];
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+ }>>;
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  };
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  export declare type UnitsTextParams = typeof UnitsTextParams;
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  export interface UnitsTextVisualBuilder<P extends UnitsTextParams> extends UnitsVisualBuilder<P, Text> {
@@ -180,27 +240,9 @@ export declare function UnitsTextVisual<P extends UnitsTextParams>(builder: Unit
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240
  export declare const UnitsDirectVolumeParams: {
181
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  unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
182
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  includeParent: PD.BooleanParam;
183
- doubleSided: PD.BooleanParam;
184
- flipSided: PD.BooleanParam;
185
- flatShaded: PD.BooleanParam;
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  ignoreLight: PD.BooleanParam;
187
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  xrayShaded: PD.BooleanParam;
188
- renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
189
- controlPoints: import("../../mol-math/linear-algebra/3d/vec2").Vec2[];
190
- list: {
191
- kind: "set" | "interpolate";
192
- colors: import("../../mol-util/color/color").ColorListEntry[];
193
- };
194
- }>, "volume"> | PD.NamedParams<PD.Normalize<{
195
- isoValue: Readonly<{
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- kind: "absolute";
197
- absoluteValue: number;
198
- }> | Readonly<{
199
- kind: "relative";
200
- relativeValue: number;
201
- }>;
202
- singleLayer: boolean;
203
- }>, "isosurface">>;
245
+ controlPoints: PD.LineGraph;
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  stepsPerCell: PD.Numeric;
205
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  jumpLength: PD.Numeric;
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  alpha: PD.Numeric;
@@ -210,6 +252,16 @@ export declare const UnitsDirectVolumeParams: {
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  roughness: number;
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  bumpiness: number;
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  }>>;
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+ clip: PD.Group<PD.Normalize<{
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+ variant: import("../../mol-util/clip").Clip.Variant;
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+ objects: PD.Normalize<{
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+ type: any;
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+ invert: any;
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+ position: any;
261
+ rotation: any;
262
+ scale: any;
263
+ }>[];
264
+ }>>;
213
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  };
214
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  export declare type UnitsDirectVolumeParams = typeof UnitsDirectVolumeParams;
215
267
  export interface UnitsDirectVolumeVisualBuilder<P extends UnitsDirectVolumeParams> extends UnitsVisualBuilder<P, DirectVolume> {
@@ -232,6 +284,16 @@ export declare const UnitsTextureMeshParams: {
232
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  roughness: number;
233
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  bumpiness: number;
234
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  }>>;
287
+ clip: PD.Group<PD.Normalize<{
288
+ variant: import("../../mol-util/clip").Clip.Variant;
289
+ objects: PD.Normalize<{
290
+ type: any;
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+ invert: any;
292
+ position: any;
293
+ rotation: any;
294
+ scale: any;
295
+ }>[];
296
+ }>>;
235
297
  };
236
298
  export declare type UnitsTextureMeshParams = typeof UnitsTextureMeshParams;
237
299
  export interface UnitsTextureMeshVisualBuilder<P extends UnitsTextureMeshParams> extends UnitsVisualBuilder<P, TextureMesh> {
@@ -42,6 +42,16 @@ export declare const InterUnitBondCylinderParams: {
42
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  roughness: number;
43
43
  bumpiness: number;
44
44
  }>>;
45
+ clip: PD.Group<PD.Normalize<{
46
+ variant: import("../../../mol-util/clip").Clip.Variant;
47
+ objects: PD.Normalize<{
48
+ type: any;
49
+ invert: any;
50
+ position: any;
51
+ rotation: any;
52
+ scale: any;
53
+ }>[];
54
+ }>>;
45
55
  flipSided: PD.BooleanParam;
46
56
  flatShaded: PD.BooleanParam;
47
57
  };
@@ -81,6 +91,16 @@ export declare function InterUnitBondCylinderVisual(materialId: number, structur
81
91
  roughness: number;
82
92
  bumpiness: number;
83
93
  }>>;
94
+ clip: PD.Group<PD.Normalize<{
95
+ variant: import("../../../mol-util/clip").Clip.Variant;
96
+ objects: PD.Normalize<{
97
+ type: any;
98
+ invert: any;
99
+ position: any;
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+ rotation: any;
101
+ scale: any;
102
+ }>[];
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+ }>>;
84
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  flipSided: PD.BooleanParam;
85
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  flatShaded: PD.BooleanParam;
86
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  }>;
@@ -26,6 +26,16 @@ export declare const InterUnitBondLineParams: {
26
26
  roughness: number;
27
27
  bumpiness: number;
28
28
  }>>;
29
+ clip: PD.Group<PD.Normalize<{
30
+ variant: import("../../../mol-util/clip").Clip.Variant;
31
+ objects: PD.Normalize<{
32
+ type: any;
33
+ invert: any;
34
+ position: any;
35
+ rotation: any;
36
+ scale: any;
37
+ }>[];
38
+ }>>;
29
39
  };
30
40
  export declare type InterUnitBondLineParams = typeof InterUnitBondLineParams;
31
41
  export declare function InterUnitBondLineVisual(materialId: number): ComplexVisual<InterUnitBondLineParams>;
@@ -43,6 +43,16 @@ export declare const IntraUnitBondCylinderParams: {
43
43
  roughness: number;
44
44
  bumpiness: number;
45
45
  }>>;
46
+ clip: PD.Group<PD.Normalize<{
47
+ variant: import("../../../mol-util/clip").Clip.Variant;
48
+ objects: PD.Normalize<{
49
+ type: any;
50
+ invert: any;
51
+ position: any;
52
+ rotation: any;
53
+ scale: any;
54
+ }>[];
55
+ }>>;
46
56
  flipSided: PD.BooleanParam;
47
57
  flatShaded: PD.BooleanParam;
48
58
  };
@@ -82,6 +92,16 @@ export declare function IntraUnitBondCylinderVisual(materialId: number, structur
82
92
  roughness: number;
83
93
  bumpiness: number;
84
94
  }>>;
95
+ clip: PD.Group<PD.Normalize<{
96
+ variant: import("../../../mol-util/clip").Clip.Variant;
97
+ objects: PD.Normalize<{
98
+ type: any;
99
+ invert: any;
100
+ position: any;
101
+ rotation: any;
102
+ scale: any;
103
+ }>[];
104
+ }>>;
85
105
  flipSided: PD.BooleanParam;
86
106
  flatShaded: PD.BooleanParam;
87
107
  }>;
@@ -26,6 +26,16 @@ export declare const IntraUnitBondLineParams: {
26
26
  roughness: number;
27
27
  bumpiness: number;
28
28
  }>>;
29
+ clip: PD.Group<PD.Normalize<{
30
+ variant: import("../../../mol-util/clip").Clip.Variant;
31
+ objects: PD.Normalize<{
32
+ type: any;
33
+ invert: any;
34
+ position: any;
35
+ rotation: any;
36
+ scale: any;
37
+ }>[];
38
+ }>>;
29
39
  };
30
40
  export declare type IntraUnitBondLineParams = typeof IntraUnitBondLineParams;
31
41
  export declare function IntraUnitBondLineVisual(materialId: number): UnitsVisual<IntraUnitBondLineParams>;
@@ -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
  */
@@ -34,6 +34,16 @@ export declare const CarbohydrateLinkParams: {
34
34
  roughness: number;
35
35
  bumpiness: number;
36
36
  }>>;
37
+ clip: PD.Group<PD.Normalize<{
38
+ variant: import("../../../mol-util/clip").Clip.Variant;
39
+ objects: PD.Normalize<{
40
+ type: any;
41
+ invert: any;
42
+ position: any;
43
+ rotation: any;
44
+ scale: any;
45
+ }>[];
46
+ }>>;
37
47
  };
38
48
  export declare type CarbohydrateLinkParams = typeof CarbohydrateLinkParams;
39
49
  export declare function CarbohydrateLinkVisual(materialId: number): ComplexVisual<CarbohydrateLinkParams>;
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
6
  */
@@ -81,6 +81,7 @@ function getLinkLoci(pickingId, structure, id) {
81
81
  }
82
82
  return loci_1.EmptyLoci;
83
83
  }
84
+ var __linkIndicesSet = new Set();
84
85
  function eachCarbohydrateLink(loci, structure, apply) {
85
86
  var changed = false;
86
87
  if (!structure_1.StructureElement.Loci.is(loci))
@@ -91,12 +92,15 @@ function eachCarbohydrateLink(loci, structure, apply) {
91
92
  var _loop_1 = function (unit, indices) {
92
93
  if (!structure_1.Unit.isAtomic(unit))
93
94
  return "continue";
95
+ __linkIndicesSet.clear();
94
96
  int_1.OrderedSet.forEach(indices, function (v) {
95
- // TODO avoid duplicate calls to apply
96
97
  var linkIndices = getLinkIndices(unit, unit.elements[v]);
97
98
  for (var i = 0, il = linkIndices.length; i < il; ++i) {
98
- if (apply(int_1.Interval.ofSingleton(linkIndices[i])))
99
- changed = true;
99
+ if (!__linkIndicesSet.has(linkIndices[i])) {
100
+ __linkIndicesSet.add(linkIndices[i]);
101
+ if (apply(int_1.Interval.ofSingleton(linkIndices[i])))
102
+ changed = true;
103
+ }
100
104
  }
101
105
  });
102
106
  };
@@ -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
  */
@@ -24,6 +24,16 @@ export declare const CarbohydrateSymbolParams: {
24
24
  roughness: number;
25
25
  bumpiness: number;
26
26
  }>>;
27
+ clip: PD.Group<PD.Normalize<{
28
+ variant: import("../../../mol-util/clip").Clip.Variant;
29
+ objects: PD.Normalize<{
30
+ type: any;
31
+ invert: any;
32
+ position: any;
33
+ rotation: any;
34
+ scale: any;
35
+ }>[];
36
+ }>>;
27
37
  };
28
38
  export declare type CarbohydrateSymbolParams = typeof CarbohydrateSymbolParams;
29
39
  export declare function CarbohydrateSymbolVisual(materialId: number): ComplexVisual<CarbohydrateSymbolParams>;
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
6
  */
@@ -25,8 +25,8 @@ var loci_1 = require("../../../mol-model/loci");
25
25
  var common_1 = require("./util/common");
26
26
  var base_1 = require("../../../mol-geo/geometry/base");
27
27
  var t = linear_algebra_1.Mat4.identity();
28
- var sVec = linear_algebra_1.Vec3.zero();
29
- var pd = linear_algebra_1.Vec3.zero();
28
+ var sVec = (0, linear_algebra_1.Vec3)();
29
+ var pd = (0, linear_algebra_1.Vec3)();
30
30
  var SideFactor = 2 * 0.806; // 0.806 == Math.cos(Math.PI / 4)
31
31
  var box = (0, box_1.Box)();
32
32
  var perforatedBox = (0, box_1.PerforatedBox)();
@@ -186,6 +186,7 @@ function getCarbohydrateLoci(pickingId, structure, id) {
186
186
  }
187
187
  return loci_1.EmptyLoci;
188
188
  }
189
+ var __elementIndicesSet = new Set();
189
190
  /** For each carbohydrate (usually a monosaccharide) when all its residue's elements are in a loci. */
190
191
  function eachCarbohydrate(loci, structure, apply) {
191
192
  var getElementIndices = structure.carbohydrates.getElementIndices;
@@ -197,12 +198,15 @@ function eachCarbohydrate(loci, structure, apply) {
197
198
  var _loop_1 = function (unit, indices) {
198
199
  if (!structure_1.Unit.isAtomic(unit))
199
200
  return "continue";
201
+ __elementIndicesSet.clear();
200
202
  int_1.OrderedSet.forEach(indices, function (v) {
201
- // TODO avoid duplicate calls to apply
202
203
  var elementIndices = getElementIndices(unit, unit.elements[v]);
203
204
  for (var i = 0, il = elementIndices.length; i < il; ++i) {
204
- if (apply(int_1.Interval.ofSingleton(elementIndices[i] * 2)))
205
- changed = true;
205
+ if (!__elementIndicesSet.has(elementIndices[i])) {
206
+ __elementIndicesSet.add(elementIndices[i]);
207
+ if (apply(int_1.Interval.ofSingleton(elementIndices[i] * 2)))
208
+ changed = true;
209
+ }
206
210
  }
207
211
  });
208
212
  };
@@ -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
  */
@@ -34,6 +34,16 @@ export declare const CarbohydrateTerminalLinkParams: {
34
34
  roughness: number;
35
35
  bumpiness: number;
36
36
  }>>;
37
+ clip: PD.Group<PD.Normalize<{
38
+ variant: import("../../../mol-util/clip").Clip.Variant;
39
+ objects: PD.Normalize<{
40
+ type: any;
41
+ invert: any;
42
+ position: any;
43
+ rotation: any;
44
+ scale: any;
45
+ }>[];
46
+ }>>;
37
47
  };
38
48
  export declare type CarbohydrateTerminalLinkParams = typeof CarbohydrateTerminalLinkParams;
39
49
  export declare function CarbohydrateTerminalLinkVisual(materialId: number): ComplexVisual<CarbohydrateTerminalLinkParams>;
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
6
  */
@@ -105,6 +105,7 @@ function getTerminalLinkLoci(pickingId, structure, id) {
105
105
  }
106
106
  return loci_1.EmptyLoci;
107
107
  }
108
+ var __linkIndicesSet = new Set();
108
109
  function eachTerminalLink(loci, structure, apply) {
109
110
  var changed = false;
110
111
  if (!structure_1.StructureElement.Loci.is(loci))
@@ -115,12 +116,15 @@ function eachTerminalLink(loci, structure, apply) {
115
116
  var _loop_1 = function (unit, indices) {
116
117
  if (!structure_1.Unit.isAtomic(unit))
117
118
  return "continue";
119
+ __linkIndicesSet.clear();
118
120
  int_1.OrderedSet.forEach(indices, function (v) {
119
- // TODO avoid duplicate calls to apply
120
121
  var linkIndices = getTerminalLinkIndices(unit, unit.elements[v]);
121
122
  for (var i = 0, il = linkIndices.length; i < il; ++i) {
122
- if (apply(int_1.Interval.ofSingleton(linkIndices[i])))
123
- changed = true;
123
+ if (!__linkIndicesSet.has(linkIndices[i])) {
124
+ __linkIndicesSet.add(linkIndices[i]);
125
+ if (apply(int_1.Interval.ofSingleton(linkIndices[i])))
126
+ changed = true;
127
+ }
124
128
  }
125
129
  });
126
130
  };
@@ -25,6 +25,16 @@ export declare const ElementCrossParams: {
25
25
  roughness: number;
26
26
  bumpiness: number;
27
27
  }>>;
28
+ clip: PD.Group<PD.Normalize<{
29
+ variant: import("../../../mol-util/clip").Clip.Variant;
30
+ objects: PD.Normalize<{
31
+ type: any;
32
+ invert: any;
33
+ position: any;
34
+ rotation: any;
35
+ scale: any;
36
+ }>[];
37
+ }>>;
28
38
  };
29
39
  export declare type ElementCrossParams = typeof ElementCrossParams;
30
40
  export declare function createElementCross(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values<ElementCrossParams>, lines: Lines): Lines;
@@ -24,6 +24,16 @@ export declare const ElementPointParams: {
24
24
  roughness: number;
25
25
  bumpiness: number;
26
26
  }>>;
27
+ clip: PD.Group<PD.Normalize<{
28
+ variant: import("../../../mol-util/clip").Clip.Variant;
29
+ objects: PD.Normalize<{
30
+ type: any;
31
+ invert: any;
32
+ position: any;
33
+ rotation: any;
34
+ scale: any;
35
+ }>[];
36
+ }>>;
27
37
  };
28
38
  export declare type ElementPointParams = typeof ElementPointParams;
29
39
  export declare function createElementPoint(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values<ElementPointParams>, points: Points): Points;
@@ -28,6 +28,16 @@ export declare const ElementSphereParams: {
28
28
  roughness: number;
29
29
  bumpiness: number;
30
30
  }>>;
31
+ clip: PD.Group<PD.Normalize<{
32
+ variant: import("../../../mol-util/clip").Clip.Variant;
33
+ objects: PD.Normalize<{
34
+ type: any;
35
+ invert: any;
36
+ position: any;
37
+ rotation: any;
38
+ scale: any;
39
+ }>[];
40
+ }>>;
31
41
  flipSided: PD.BooleanParam;
32
42
  flatShaded: PD.BooleanParam;
33
43
  };
@@ -52,6 +62,16 @@ export declare function ElementSphereVisual(materialId: number, structure: Struc
52
62
  roughness: number;
53
63
  bumpiness: number;
54
64
  }>>;
65
+ clip: PD.Group<PD.Normalize<{
66
+ variant: import("../../../mol-util/clip").Clip.Variant;
67
+ objects: PD.Normalize<{
68
+ type: any;
69
+ invert: any;
70
+ position: any;
71
+ rotation: any;
72
+ scale: any;
73
+ }>[];
74
+ }>>;
55
75
  flipSided: PD.BooleanParam;
56
76
  flatShaded: PD.BooleanParam;
57
77
  }>;
@@ -29,6 +29,16 @@ export declare const EllipsoidMeshParams: {
29
29
  roughness: number;
30
30
  bumpiness: number;
31
31
  }>>;
32
+ clip: PD.Group<PD.Normalize<{
33
+ variant: import("../../../mol-util/clip").Clip.Variant;
34
+ objects: PD.Normalize<{
35
+ type: any;
36
+ invert: any;
37
+ position: any;
38
+ rotation: any;
39
+ scale: any;
40
+ }>[];
41
+ }>>;
32
42
  };
33
43
  export declare type EllipsoidMeshParams = typeof EllipsoidMeshParams;
34
44
  export declare function EllipsoidMeshVisual(materialId: number): UnitsVisual<EllipsoidMeshParams>;
@@ -14,27 +14,9 @@ export declare const GaussianDensityVolumeParams: {
14
14
  radiusOffset: PD.Numeric;
15
15
  smoothness: PD.Numeric;
16
16
  unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
17
- doubleSided: PD.BooleanParam;
18
- flipSided: PD.BooleanParam;
19
- flatShaded: PD.BooleanParam;
20
17
  ignoreLight: PD.BooleanParam;
21
18
  xrayShaded: PD.BooleanParam;
22
- renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
23
- controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
24
- list: {
25
- kind: "set" | "interpolate";
26
- colors: import("../../../mol-util/color/color").ColorListEntry[];
27
- };
28
- }>, "volume"> | PD.NamedParams<PD.Normalize<{
29
- isoValue: Readonly<{
30
- kind: "absolute";
31
- absoluteValue: number;
32
- }> | Readonly<{
33
- kind: "relative";
34
- relativeValue: number;
35
- }>;
36
- singleLayer: boolean;
37
- }>, "isosurface">>;
19
+ controlPoints: PD.LineGraph;
38
20
  stepsPerCell: PD.Numeric;
39
21
  jumpLength: PD.Numeric;
40
22
  alpha: PD.Numeric;
@@ -44,6 +26,16 @@ export declare const GaussianDensityVolumeParams: {
44
26
  roughness: number;
45
27
  bumpiness: number;
46
28
  }>>;
29
+ clip: PD.Group<PD.Normalize<{
30
+ variant: import("../../../mol-util/clip").Clip.Variant;
31
+ objects: PD.Normalize<{
32
+ type: any;
33
+ invert: any;
34
+ position: any;
35
+ rotation: any;
36
+ scale: any;
37
+ }>[];
38
+ }>>;
47
39
  };
48
40
  export declare type GaussianDensityVolumeParams = typeof GaussianDensityVolumeParams;
49
41
  export declare function GaussianDensityVolumeVisual(materialId: number): ComplexVisual<GaussianDensityVolumeParams>;
@@ -55,27 +47,9 @@ export declare const UnitsGaussianDensityVolumeParams: {
55
47
  radiusOffset: PD.Numeric;
56
48
  smoothness: PD.Numeric;
57
49
  unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
58
- doubleSided: PD.BooleanParam;
59
- flipSided: PD.BooleanParam;
60
- flatShaded: PD.BooleanParam;
61
50
  ignoreLight: PD.BooleanParam;
62
51
  xrayShaded: PD.BooleanParam;
63
- renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
64
- controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
65
- list: {
66
- kind: "set" | "interpolate";
67
- colors: import("../../../mol-util/color/color").ColorListEntry[];
68
- };
69
- }>, "volume"> | PD.NamedParams<PD.Normalize<{
70
- isoValue: Readonly<{
71
- kind: "absolute";
72
- absoluteValue: number;
73
- }> | Readonly<{
74
- kind: "relative";
75
- relativeValue: number;
76
- }>;
77
- singleLayer: boolean;
78
- }>, "isosurface">>;
52
+ controlPoints: PD.LineGraph;
79
53
  stepsPerCell: PD.Numeric;
80
54
  jumpLength: PD.Numeric;
81
55
  alpha: PD.Numeric;
@@ -85,6 +59,16 @@ export declare const UnitsGaussianDensityVolumeParams: {
85
59
  roughness: number;
86
60
  bumpiness: number;
87
61
  }>>;
62
+ clip: PD.Group<PD.Normalize<{
63
+ variant: import("../../../mol-util/clip").Clip.Variant;
64
+ objects: PD.Normalize<{
65
+ type: any;
66
+ invert: any;
67
+ position: any;
68
+ rotation: any;
69
+ scale: any;
70
+ }>[];
71
+ }>>;
88
72
  };
89
73
  export declare type UnitsGaussianDensityVolumeParams = typeof UnitsGaussianDensityVolumeParams;
90
74
  export declare function UnitsGaussianDensityVolumeVisual(materialId: number): UnitsVisual<UnitsGaussianDensityVolumeParams>;