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
@@ -1,8 +1,9 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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  *
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  * @author David Sehnal <david.sehnal@gmail.com>
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+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
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  */
7
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  Object.defineProperty(exports, "__esModule", { value: true });
8
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  exports.StructureComponentManager = void 0;
@@ -28,6 +29,7 @@ var structure_transparency_1 = require("../../helpers/structure-transparency");
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  var structure_focus_representation_1 = require("../../../mol-plugin/behavior/dynamic/selection/structure-focus-representation");
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  var structure_substance_1 = require("../../helpers/structure-substance");
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  var material_1 = require("../../../mol-util/material");
32
+ var clip_1 = require("../../../mol-util/clip");
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  var StructureComponentManager = /** @class */ (function (_super) {
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  (0, tslib_1.__extends)(StructureComponentManager, _super);
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  function StructureComponentManager(plugin) {
@@ -77,6 +79,7 @@ var StructureComponentManager = /** @class */ (function (_super) {
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  return [4 /*yield*/, this.plugin.state.updateBehavior(structure_focus_representation_1.StructureFocusRepresentation, function (p) {
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  p.ignoreHydrogens = !options.showHydrogens;
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  p.material = options.materialStyle;
82
+ p.clip = options.clipObjects;
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  })];
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  case 2:
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  _a.sent();
@@ -93,18 +96,19 @@ var StructureComponentManager = /** @class */ (function (_super) {
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  });
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  };
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  StructureComponentManager.prototype.updateReprParams = function (update, component) {
96
- var _a = this.state.options, showHydrogens = _a.showHydrogens, quality = _a.visualQuality, material = _a.materialStyle;
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+ var _a = this.state.options, showHydrogens = _a.showHydrogens, quality = _a.visualQuality, material = _a.materialStyle, clip = _a.clipObjects;
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  var ignoreHydrogens = !showHydrogens;
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  for (var _i = 0, _b = component.representations; _i < _b.length; _i++) {
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  var r = _b[_i];
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  if (r.cell.transform.transformer !== representation_1.StructureRepresentation3D)
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  continue;
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  var params = r.cell.transform.params;
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- if (!!params.type.params.ignoreHydrogens !== ignoreHydrogens || params.type.params.quality !== quality || !(0, mol_util_1.shallowEqual)(params.type.params.material, material)) {
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+ if (!!params.type.params.ignoreHydrogens !== ignoreHydrogens || params.type.params.quality !== quality || !(0, mol_util_1.shallowEqual)(params.type.params.material, material) || !param_definition_1.ParamDefinition.areEqual(clip_1.Clip.Params, params.type.params.clip, clip)) {
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  update.to(r.cell).update(function (old) {
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  old.type.params.ignoreHydrogens = ignoreHydrogens;
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  old.type.params.quality = quality;
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  old.type.params.material = material;
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+ old.type.params.clip = clip;
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  });
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  }
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  }
@@ -376,9 +380,9 @@ var StructureComponentManager = /** @class */ (function (_super) {
376
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  var _this = this;
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  if (components.length === 0)
378
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  return;
379
- var _a = this.state.options, showHydrogens = _a.showHydrogens, quality = _a.visualQuality, material = _a.materialStyle;
383
+ var _a = this.state.options, showHydrogens = _a.showHydrogens, quality = _a.visualQuality, material = _a.materialStyle, clip = _a.clipObjects;
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  var ignoreHydrogens = !showHydrogens;
381
- var typeParams = { ignoreHydrogens: ignoreHydrogens, quality: quality, material: material };
385
+ var typeParams = { ignoreHydrogens: ignoreHydrogens, quality: quality, material: material, clip: clip };
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  return this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
383
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  var _i, components_9, component;
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  return (0, tslib_1.__generator)(this, function (_a) {
@@ -439,16 +443,16 @@ var StructureComponentManager = /** @class */ (function (_super) {
439
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  var _this = this;
440
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  return (0, tslib_1.__generator)(this, function (_a) {
441
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  return [2 /*return*/, this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
442
- var xs, _a, showHydrogens, quality, material, ignoreHydrogens, typeParams, componentKey, _i, xs_1, s, component;
446
+ var xs, _a, showHydrogens, quality, material, clip, ignoreHydrogens, typeParams, componentKey, _i, xs_1, s, component;
443
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  return (0, tslib_1.__generator)(this, function (_b) {
444
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  switch (_b.label) {
445
449
  case 0:
446
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  xs = structures || this.currentStructures;
447
451
  if (xs.length === 0)
448
452
  return [2 /*return*/];
449
- _a = this.state.options, showHydrogens = _a.showHydrogens, quality = _a.visualQuality, material = _a.materialStyle;
453
+ _a = this.state.options, showHydrogens = _a.showHydrogens, quality = _a.visualQuality, material = _a.materialStyle, clip = _a.clipObjects;
450
454
  ignoreHydrogens = !showHydrogens;
451
- typeParams = { ignoreHydrogens: ignoreHydrogens, quality: quality, material: material };
455
+ typeParams = { ignoreHydrogens: ignoreHydrogens, quality: quality, material: material, clip: clip };
452
456
  componentKey = mol_util_1.UUID.create22();
453
457
  _i = 0, xs_1 = xs;
454
458
  _b.label = 1;
@@ -625,6 +629,7 @@ exports.StructureComponentManager = StructureComponentManager;
625
629
  showHydrogens: param_definition_1.ParamDefinition.Boolean(true, { description: 'Toggle display of hydrogen atoms in representations' }),
626
630
  visualQuality: param_definition_1.ParamDefinition.Select('auto', base_1.VisualQualityOptions, { description: 'Control the visual/rendering quality of representations' }),
627
631
  materialStyle: material_1.Material.getParam(),
632
+ clipObjects: param_definition_1.ParamDefinition.Group(clip_1.Clip.Params),
628
633
  interactions: param_definition_1.ParamDefinition.Group(interactions_1.InteractionsProvider.defaultParams, { label: 'Non-covalent Interactions' }),
629
634
  };
630
635
  function getAddParams(plugin, params) {
@@ -250,7 +250,9 @@ var StructureSelectionManager = /** @class */ (function (_super) {
250
250
  var cell = this.plugin.helpers.substructureParent.get(obj.data, true);
251
251
  if (!cell)
252
252
  return;
253
- ref = cell.transform.ref;
253
+ // only need to update the root
254
+ if (ref !== cell.transform.ref)
255
+ return;
254
256
  if (!this.entries.has(ref))
255
257
  return;
256
258
  // use structure from last decorator as reference
@@ -159,6 +159,10 @@ declare const ModelUnitcell3D: StateTransformer<SO.Molecule.Model, SO.Shape.Repr
159
159
  roughness: number;
160
160
  bumpiness: number;
161
161
  }>;
162
+ clip: PD.Normalize<{
163
+ variant: any;
164
+ objects: any;
165
+ }>;
162
166
  }>>;
163
167
  export { StructureBoundingBox3D };
164
168
  declare type StructureBoundingBox3D = typeof StructureBoundingBox3D;
@@ -177,6 +181,10 @@ declare const StructureBoundingBox3D: StateTransformer<SO.Molecule.Structure, SO
177
181
  roughness: number;
178
182
  bumpiness: number;
179
183
  }>;
184
+ clip: PD.Normalize<{
185
+ variant: any;
186
+ objects: any;
187
+ }>;
180
188
  radius: number;
181
189
  color: Color;
182
190
  }>>;
@@ -214,6 +222,10 @@ declare const StructureSelectionsDistance3D: StateTransformer<SO.Molecule.Struct
214
222
  roughness: number;
215
223
  bumpiness: number;
216
224
  }>;
225
+ clip: PD.Normalize<{
226
+ variant: any;
227
+ objects: any;
228
+ }>;
217
229
  lineSizeAttenuation: boolean;
218
230
  linesColor: Color;
219
231
  linesSize: number;
@@ -252,6 +264,10 @@ declare const StructureSelectionsAngle3D: StateTransformer<SO.Molecule.Structure
252
264
  roughness: number;
253
265
  bumpiness: number;
254
266
  }>;
267
+ clip: PD.Normalize<{
268
+ variant: any;
269
+ objects: any;
270
+ }>;
255
271
  ignoreLight: boolean;
256
272
  sectorOpacity: number;
257
273
  color: Color;
@@ -299,6 +315,10 @@ declare const StructureSelectionsDihedral3D: StateTransformer<SO.Molecule.Struct
299
315
  roughness: number;
300
316
  bumpiness: number;
301
317
  }>;
318
+ clip: PD.Normalize<{
319
+ variant: any;
320
+ objects: any;
321
+ }>;
302
322
  ignoreLight: boolean;
303
323
  sectorOpacity: number;
304
324
  color: Color;
@@ -347,6 +367,10 @@ declare const StructureSelectionsLabel3D: StateTransformer<SO.Molecule.Structure
347
367
  roughness: number;
348
368
  bumpiness: number;
349
369
  }>;
370
+ clip: PD.Normalize<{
371
+ variant: any;
372
+ objects: any;
373
+ }>;
350
374
  }>>;
351
375
  export { StructureSelectionsOrientation3D };
352
376
  declare type StructureSelectionsOrientation3D = typeof StructureSelectionsOrientation3D;
@@ -369,6 +393,10 @@ declare const StructureSelectionsOrientation3D: StateTransformer<SO.Molecule.Str
369
393
  roughness: number;
370
394
  bumpiness: number;
371
395
  }>;
396
+ clip: PD.Normalize<{
397
+ variant: any;
398
+ objects: any;
399
+ }>;
372
400
  }>>;
373
401
  export { StructureSelectionsPlane3D };
374
402
  declare type StructureSelectionsPlane3D = typeof StructureSelectionsPlane3D;
@@ -390,4 +418,8 @@ declare const StructureSelectionsPlane3D: StateTransformer<SO.Molecule.Structure
390
418
  roughness: number;
391
419
  bumpiness: number;
392
420
  }>;
421
+ clip: PD.Normalize<{
422
+ variant: any;
423
+ objects: any;
424
+ }>;
393
425
  }>>;
@@ -75,7 +75,7 @@ var StructureRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
75
75
  return ({
76
76
  type: param_definition_1.ParamDefinition.Mapped(registry.default.name, registry.getApplicableTypes(a.data), function (name) { return param_definition_1.ParamDefinition.Group(registry.get(name).getParams(themeCtx, a.data)); }),
77
77
  colorTheme: param_definition_1.ParamDefinition.Mapped(type.defaultColorTheme.name, themeCtx.colorThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.colorThemeRegistry.get(name).getParams(dataCtx)); }, colorThemeInfo),
78
- sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.types, function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx)); })
78
+ sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx)); })
79
79
  });
80
80
  }
81
81
  })({
@@ -801,7 +801,7 @@ var VolumeRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
801
801
  return ({
802
802
  type: param_definition_1.ParamDefinition.Mapped(registry.default.name, registry.types, function (name) { return param_definition_1.ParamDefinition.Group(registry.get(name).getParams(themeCtx, a.data)); }),
803
803
  colorTheme: param_definition_1.ParamDefinition.Mapped(type.defaultColorTheme.name, themeCtx.colorThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.colorThemeRegistry.get(name).getParams(dataCtx)); }),
804
- sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.types, function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx)); })
804
+ sizeTheme: param_definition_1.ParamDefinition.Mapped(type.defaultSizeTheme.name, themeCtx.sizeThemeRegistry.getApplicableTypes(dataCtx), function (name) { return param_definition_1.ParamDefinition.Group(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx)); })
805
805
  });
806
806
  }
807
807
  })({
@@ -162,8 +162,8 @@ var SuperpositionControls = /** @class */ (function (_super) {
162
162
  _i++;
163
163
  return [3 /*break*/, 1];
164
164
  case 4:
165
- rmsd /= transforms.length - 1;
166
- this.plugin.log.info("Superposed ".concat(input.length, " structures with avg. RMSD ").concat(rmsd.toFixed(2), "."));
165
+ rmsd /= Math.max(transforms.length - 1, 1);
166
+ this.plugin.log.info("Superposed ".concat(input.length, " structures with avg. RMSD ").concat(rmsd.toFixed(2), " \u00C5."));
167
167
  return [4 /*yield*/, new Promise(function (res) { return requestAnimationFrame(res); })];
168
168
  case 5:
169
169
  _a.sent();
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
@@ -4,7 +4,7 @@ exports.SimpleSettingsControl = void 0;
4
4
  var tslib_1 = require("tslib");
5
5
  var jsx_runtime_1 = require("react/jsx-runtime");
6
6
  /**
7
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
7
+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
8
8
  *
9
9
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
10
10
  * @author David Sehnal <david.sehnal@gmail.com>
@@ -47,10 +47,7 @@ var LayoutOptions = {
47
47
  'left': 'Left Panel'
48
48
  };
49
49
  var SimpleSettingsParams = {
50
- spin: param_definition_1.ParamDefinition.Group({
51
- spin: canvas3d_1.Canvas3DParams.trackball.params.spin,
52
- speed: canvas3d_1.Canvas3DParams.trackball.params.spinSpeed
53
- }, { pivot: 'spin' }),
50
+ animate: canvas3d_1.Canvas3DParams.trackball.params.animate,
54
51
  camera: canvas3d_1.Canvas3DParams.camera,
55
52
  background: param_definition_1.ParamDefinition.Group({
56
53
  color: param_definition_1.ParamDefinition.Color((0, color_1.Color)(0xFCFBF9), { label: 'Background', description: 'Custom background color' }),
@@ -61,7 +58,7 @@ var SimpleSettingsParams = {
61
58
  outline: canvas3d_1.Canvas3DParams.postprocessing.params.outline,
62
59
  fog: canvas3d_1.Canvas3DParams.cameraFog,
63
60
  }, { isFlat: true }),
64
- clipping: param_definition_1.ParamDefinition.Group((0, tslib_1.__assign)((0, tslib_1.__assign)({}, canvas3d_1.Canvas3DParams.cameraClipping.params), canvas3d_1.Canvas3DParams.renderer.params.clip.params), { pivot: 'radius' }),
61
+ clipping: param_definition_1.ParamDefinition.Group((0, tslib_1.__assign)({}, canvas3d_1.Canvas3DParams.cameraClipping.params), { pivot: 'radius' }),
65
62
  layout: param_definition_1.ParamDefinition.MultiSelect([], param_definition_1.ParamDefinition.objectToOptions(LayoutOptions)),
66
63
  };
67
64
  var SimpleSettingsMapping = (0, param_mapping_1.ParamMapping)({
@@ -100,7 +97,7 @@ var SimpleSettingsMapping = (0, param_mapping_1.ParamMapping)({
100
97
  var renderer = canvas.renderer;
101
98
  return {
102
99
  layout: props.layout,
103
- spin: { spin: !!canvas.trackball.spin, speed: canvas.trackball.spinSpeed },
100
+ animate: canvas.trackball.animate,
104
101
  camera: canvas.camera,
105
102
  background: {
106
103
  color: renderer.backgroundColor,
@@ -111,13 +108,12 @@ var SimpleSettingsMapping = (0, param_mapping_1.ParamMapping)({
111
108
  outline: canvas.postprocessing.outline,
112
109
  fog: canvas.cameraFog,
113
110
  },
114
- clipping: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, canvas.cameraClipping), canvas.renderer.clip)
111
+ clipping: (0, tslib_1.__assign)({}, canvas.cameraClipping)
115
112
  };
116
113
  },
117
114
  update: function (s, props) {
118
115
  var canvas = props.canvas;
119
- canvas.trackball.spin = s.spin.spin;
120
- canvas.trackball.spinSpeed = s.spin.speed;
116
+ canvas.trackball.animate = s.animate;
121
117
  canvas.camera = s.camera;
122
118
  canvas.transparentBackground = s.background.transparent;
123
119
  canvas.renderer.backgroundColor = s.background.color;
@@ -128,10 +124,6 @@ var SimpleSettingsMapping = (0, param_mapping_1.ParamMapping)({
128
124
  radius: s.clipping.radius,
129
125
  far: s.clipping.far,
130
126
  };
131
- canvas.renderer.clip = {
132
- variant: s.clipping.variant,
133
- objects: s.clipping.objects,
134
- };
135
127
  props.layout = s.layout;
136
128
  },
137
129
  apply: function (props, ctx) {
@@ -40,6 +40,16 @@ export declare const AngleParams: {
40
40
  roughness: number;
41
41
  bumpiness: number;
42
42
  }>>;
43
+ clip: PD.Group<PD.Normalize<{
44
+ variant: import("../../../mol-util/clip").Clip.Variant;
45
+ objects: PD.Normalize<{
46
+ type: any;
47
+ invert: any;
48
+ position: any;
49
+ rotation: any;
50
+ scale: any;
51
+ }>[];
52
+ }>>;
43
53
  ignoreLight: PD.BooleanParam;
44
54
  sectorOpacity: PD.Numeric;
45
55
  color: PD.Color;
@@ -40,5 +40,15 @@ export declare const LociLabelTextParams: {
40
40
  roughness: number;
41
41
  bumpiness: number;
42
42
  }>>;
43
+ clip: PD.Group<PD.Normalize<{
44
+ variant: import("../../../mol-util/clip").Clip.Variant;
45
+ objects: PD.Normalize<{
46
+ type: any;
47
+ invert: any;
48
+ position: any;
49
+ rotation: any;
50
+ scale: any;
51
+ }>[];
52
+ }>>;
43
53
  };
44
54
  export declare type LociLabelTextParams = typeof LociLabelTextParams;
@@ -40,6 +40,16 @@ export declare const DihedralParams: {
40
40
  roughness: number;
41
41
  bumpiness: number;
42
42
  }>>;
43
+ clip: PD.Group<PD.Normalize<{
44
+ variant: import("../../../mol-util/clip").Clip.Variant;
45
+ objects: PD.Normalize<{
46
+ type: any;
47
+ invert: any;
48
+ position: any;
49
+ rotation: any;
50
+ scale: any;
51
+ }>[];
52
+ }>>;
43
53
  ignoreLight: PD.BooleanParam;
44
54
  sectorOpacity: PD.Numeric;
45
55
  color: PD.Color;
@@ -41,6 +41,16 @@ export declare const DistanceParams: {
41
41
  roughness: number;
42
42
  bumpiness: number;
43
43
  }>>;
44
+ clip: PD.Group<PD.Normalize<{
45
+ variant: import("../../../mol-util/clip").Clip.Variant;
46
+ objects: PD.Normalize<{
47
+ type: any;
48
+ invert: any;
49
+ position: any;
50
+ rotation: any;
51
+ scale: any;
52
+ }>[];
53
+ }>>;
44
54
  lineSizeAttenuation: PD.BooleanParam;
45
55
  linesColor: PD.Color;
46
56
  linesSize: PD.Numeric;
@@ -44,6 +44,16 @@ export declare const LabelParams: {
44
44
  roughness: number;
45
45
  bumpiness: number;
46
46
  }>>;
47
+ clip: PD.Group<PD.Normalize<{
48
+ variant: import("../../../mol-util/clip").Clip.Variant;
49
+ objects: PD.Normalize<{
50
+ type: any;
51
+ invert: any;
52
+ position: any;
53
+ rotation: any;
54
+ scale: any;
55
+ }>[];
56
+ }>>;
47
57
  };
48
58
  export declare type LabelParams = typeof LabelParams;
49
59
  export declare type LabelProps = PD.Values<LabelParams>;
@@ -28,6 +28,16 @@ export declare const OrientationParams: {
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
  };
32
42
  export declare type OrientationParams = typeof OrientationParams;
33
43
  export declare type OrientationProps = PD.Values<OrientationParams>;
@@ -27,6 +27,16 @@ export declare const PlaneParams: {
27
27
  roughness: number;
28
28
  bumpiness: number;
29
29
  }>>;
30
+ clip: PD.Group<PD.Normalize<{
31
+ variant: import("../../../mol-util/clip").Clip.Variant;
32
+ objects: PD.Normalize<{
33
+ type: any;
34
+ invert: any;
35
+ position: any;
36
+ rotation: any;
37
+ scale: any;
38
+ }>[];
39
+ }>>;
30
40
  };
31
41
  export declare type PlaneParams = typeof PlaneParams;
32
42
  export declare type PlaneProps = PD.Values<PlaneParams>;
@@ -30,6 +30,16 @@ export declare const UnitcellParams: {
30
30
  roughness: number;
31
31
  bumpiness: number;
32
32
  }>>;
33
+ clip: PD.Group<PD.Normalize<{
34
+ variant: import("../../../mol-util/clip").Clip.Variant;
35
+ objects: PD.Normalize<{
36
+ type: any;
37
+ invert: any;
38
+ position: any;
39
+ rotation: any;
40
+ scale: any;
41
+ }>[];
42
+ }>>;
33
43
  };
34
44
  export declare type UnitcellParams = typeof UnitcellParams;
35
45
  export declare type UnitcellProps = PD.Values<UnitcellParams>;
@@ -100,7 +100,7 @@ function ComplexRepresentation(label, ctx, getParams, visualCtor) {
100
100
  return false;
101
101
  // Remap `loci` from equivalent structure to the current `_structure`
102
102
  loci = loci_1.Loci.remap(loci, _structure);
103
- if (structure_1.StructureElement.Loci.is(loci) && structure_1.StructureElement.Loci.isWholeStructure(loci)) {
103
+ if (structure_1.Structure.isLoci(loci) || (structure_1.StructureElement.Loci.is(loci) && structure_1.StructureElement.Loci.isWholeStructure(loci))) {
104
104
  // Change to `EveryLoci` to allow for downstream optimizations
105
105
  loci = loci_1.EveryLoci;
106
106
  }
@@ -56,6 +56,16 @@ export declare const ComplexMeshParams: {
56
56
  roughness: number;
57
57
  bumpiness: number;
58
58
  }>>;
59
+ clip: PD.Group<PD.Normalize<{
60
+ variant: import("../../mol-util/clip").Clip.Variant;
61
+ objects: PD.Normalize<{
62
+ type: any;
63
+ invert: any;
64
+ position: any;
65
+ rotation: any;
66
+ scale: any;
67
+ }>[];
68
+ }>>;
59
69
  };
60
70
  export declare type ComplexMeshParams = typeof ComplexMeshParams;
61
71
  export interface ComplexMeshVisualBuilder<P extends ComplexMeshParams> extends ComplexVisualBuilder<P, Mesh> {
@@ -78,6 +88,16 @@ export declare const ComplexCylindersParams: {
78
88
  roughness: number;
79
89
  bumpiness: number;
80
90
  }>>;
91
+ clip: PD.Group<PD.Normalize<{
92
+ variant: import("../../mol-util/clip").Clip.Variant;
93
+ objects: PD.Normalize<{
94
+ type: any;
95
+ invert: any;
96
+ position: any;
97
+ rotation: any;
98
+ scale: any;
99
+ }>[];
100
+ }>>;
81
101
  };
82
102
  export declare type ComplexCylindersParams = typeof ComplexCylindersParams;
83
103
  export interface ComplexCylindersVisualBuilder<P extends ComplexCylindersParams> extends ComplexVisualBuilder<P, Cylinders> {
@@ -95,6 +115,16 @@ export declare const ComplexLinesParams: {
95
115
  roughness: number;
96
116
  bumpiness: number;
97
117
  }>>;
118
+ clip: PD.Group<PD.Normalize<{
119
+ variant: import("../../mol-util/clip").Clip.Variant;
120
+ objects: PD.Normalize<{
121
+ type: any;
122
+ invert: any;
123
+ position: any;
124
+ rotation: any;
125
+ scale: any;
126
+ }>[];
127
+ }>>;
98
128
  };
99
129
  export declare type ComplexLinesParams = typeof ComplexLinesParams;
100
130
  export interface ComplexLinesVisualBuilder<P extends ComplexLinesParams> extends ComplexVisualBuilder<P, Lines> {
@@ -129,6 +159,16 @@ export declare const ComplexTextParams: {
129
159
  roughness: number;
130
160
  bumpiness: number;
131
161
  }>>;
162
+ clip: PD.Group<PD.Normalize<{
163
+ variant: import("../../mol-util/clip").Clip.Variant;
164
+ objects: PD.Normalize<{
165
+ type: any;
166
+ invert: any;
167
+ position: any;
168
+ rotation: any;
169
+ scale: any;
170
+ }>[];
171
+ }>>;
132
172
  };
133
173
  export declare type ComplexTextParams = typeof ComplexTextParams;
134
174
  export interface ComplexTextVisualBuilder<P extends ComplexTextParams> extends ComplexVisualBuilder<P, Text> {
@@ -137,27 +177,9 @@ export declare function ComplexTextVisual<P extends ComplexTextParams>(builder:
137
177
  export declare const ComplexDirectVolumeParams: {
138
178
  unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
139
179
  includeParent: PD.BooleanParam;
140
- doubleSided: PD.BooleanParam;
141
- flipSided: PD.BooleanParam;
142
- flatShaded: PD.BooleanParam;
143
180
  ignoreLight: PD.BooleanParam;
144
181
  xrayShaded: PD.BooleanParam;
145
- renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
146
- controlPoints: import("../../mol-math/linear-algebra/3d/vec2").Vec2[];
147
- list: {
148
- kind: "set" | "interpolate";
149
- colors: import("../../mol-util/color/color").ColorListEntry[];
150
- };
151
- }>, "volume"> | PD.NamedParams<PD.Normalize<{
152
- isoValue: Readonly<{
153
- kind: "absolute";
154
- absoluteValue: number;
155
- }> | Readonly<{
156
- kind: "relative";
157
- relativeValue: number;
158
- }>;
159
- singleLayer: boolean;
160
- }>, "isosurface">>;
182
+ controlPoints: PD.LineGraph;
161
183
  stepsPerCell: PD.Numeric;
162
184
  jumpLength: PD.Numeric;
163
185
  alpha: PD.Numeric;
@@ -167,6 +189,16 @@ export declare const ComplexDirectVolumeParams: {
167
189
  roughness: number;
168
190
  bumpiness: number;
169
191
  }>>;
192
+ clip: PD.Group<PD.Normalize<{
193
+ variant: import("../../mol-util/clip").Clip.Variant;
194
+ objects: PD.Normalize<{
195
+ type: any;
196
+ invert: any;
197
+ position: any;
198
+ rotation: any;
199
+ scale: any;
200
+ }>[];
201
+ }>>;
170
202
  };
171
203
  export declare type ComplexDirectVolumeParams = typeof ComplexDirectVolumeParams;
172
204
  export interface ComplexDirectVolumeVisualBuilder<P extends ComplexDirectVolumeParams> extends ComplexVisualBuilder<P, DirectVolume> {
@@ -189,6 +221,16 @@ export declare const ComplexTextureMeshParams: {
189
221
  roughness: number;
190
222
  bumpiness: number;
191
223
  }>>;
224
+ clip: PD.Group<PD.Normalize<{
225
+ variant: import("../../mol-util/clip").Clip.Variant;
226
+ objects: PD.Normalize<{
227
+ type: any;
228
+ invert: any;
229
+ position: any;
230
+ rotation: any;
231
+ scale: any;
232
+ }>[];
233
+ }>>;
192
234
  };
193
235
  export declare type ComplexTextureMeshParams = typeof ComplexTextureMeshParams;
194
236
  export interface ComplexTextureMeshVisualBuilder<P extends ComplexTextureMeshParams> extends ComplexVisualBuilder<P, TextureMesh> {