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
@@ -15,7 +15,7 @@ import { UnitsDirectVolumeParams, UnitsDirectVolumeVisual } from '../units-visua
15
15
  import { getStructureExtraRadius, getUnitExtraRadius } from './util/common';
16
16
  function createGaussianDensityVolume(ctx, structure, theme, props, directVolume) {
17
17
  return __awaiter(this, void 0, void 0, function () {
18
- var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, vol, sphere;
18
+ var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
19
19
  return __generator(this, function (_a) {
20
20
  switch (_a.label) {
21
21
  case 0:
@@ -24,14 +24,15 @@ function createGaussianDensityVolume(ctx, structure, theme, props, directVolume)
24
24
  throw new Error('GaussianDensityVolume requires `webgl` and `blendMinMax` extension');
25
25
  }
26
26
  oldTexture = directVolume ? directVolume.gridTexture.ref.value : undefined;
27
- return [4 /*yield*/, computeStructureGaussianDensityTexture(structure, props, webgl, oldTexture).runInContext(runtime)];
27
+ return [4 /*yield*/, computeStructureGaussianDensityTexture(structure, theme.size, props, webgl, oldTexture).runInContext(runtime)];
28
28
  case 1:
29
29
  densityTextureData = _a.sent();
30
30
  transform = densityTextureData.transform, texture = densityTextureData.texture, bbox = densityTextureData.bbox, gridDim = densityTextureData.gridDim;
31
31
  stats = { min: 0, max: 1, mean: 0.04, sigma: 0.01 };
32
32
  unitToCartn = Mat4.mul(Mat4(), transform, Mat4.fromScaling(Mat4(), gridDim));
33
33
  cellDim = Mat4.getScaling(Vec3(), transform);
34
- vol = DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, directVolume);
34
+ axisOrder = Vec3.create(0, 1, 2);
35
+ vol = DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
35
36
  sphere = Sphere3D.expand(Sphere3D(), structure.boundary.sphere, props.radiusOffset + getStructureExtraRadius(structure));
36
37
  vol.setBoundingSphere(sphere);
37
38
  return [2 /*return*/, vol];
@@ -69,7 +70,7 @@ export function GaussianDensityVolumeVisual(materialId) {
69
70
  //
70
71
  function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, directVolume) {
71
72
  return __awaiter(this, void 0, void 0, function () {
72
- var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, vol, sphere;
73
+ var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
73
74
  return __generator(this, function (_a) {
74
75
  switch (_a.label) {
75
76
  case 0:
@@ -81,14 +82,15 @@ function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, di
81
82
  throw new Error('GaussianDensityVolume requires `webgl`');
82
83
  }
83
84
  oldTexture = directVolume ? directVolume.gridTexture.ref.value : undefined;
84
- return [4 /*yield*/, computeUnitGaussianDensityTexture(structure, unit, props, webgl, oldTexture).runInContext(runtime)];
85
+ return [4 /*yield*/, computeUnitGaussianDensityTexture(structure, unit, theme.size, props, webgl, oldTexture).runInContext(runtime)];
85
86
  case 1:
86
87
  densityTextureData = _a.sent();
87
88
  transform = densityTextureData.transform, texture = densityTextureData.texture, bbox = densityTextureData.bbox, gridDim = densityTextureData.gridDim;
88
89
  stats = { min: 0, max: 1, mean: 0.04, sigma: 0.01 };
89
90
  unitToCartn = Mat4.mul(Mat4(), transform, Mat4.fromScaling(Mat4(), gridDim));
90
91
  cellDim = Mat4.getScaling(Vec3(), transform);
91
- vol = DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, directVolume);
92
+ axisOrder = Vec3.create(0, 1, 2);
93
+ vol = DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
92
94
  sphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, props.radiusOffset + getUnitExtraRadius(unit));
93
95
  vol.setBoundingSphere(sphere);
94
96
  return [2 /*return*/, vol];
@@ -35,6 +35,16 @@ export declare const GaussianSurfaceMeshParams: {
35
35
  roughness: number;
36
36
  bumpiness: number;
37
37
  }>>;
38
+ clip: PD.Group<PD.Normalize<{
39
+ variant: import("../../../mol-util/clip").Clip.Variant;
40
+ objects: PD.Normalize<{
41
+ type: any;
42
+ invert: any;
43
+ position: any;
44
+ rotation: any;
45
+ scale: any;
46
+ }>[];
47
+ }>>;
38
48
  };
39
49
  export declare type GaussianSurfaceMeshParams = typeof GaussianSurfaceMeshParams;
40
50
  export declare const StructureGaussianSurfaceMeshParams: {
@@ -64,6 +74,16 @@ export declare const StructureGaussianSurfaceMeshParams: {
64
74
  roughness: number;
65
75
  bumpiness: number;
66
76
  }>>;
77
+ clip: PD.Group<PD.Normalize<{
78
+ variant: import("../../../mol-util/clip").Clip.Variant;
79
+ objects: PD.Normalize<{
80
+ type: any;
81
+ invert: any;
82
+ position: any;
83
+ rotation: any;
84
+ scale: any;
85
+ }>[];
86
+ }>>;
67
87
  };
68
88
  export declare type StructureGaussianSurfaceMeshParams = typeof StructureGaussianSurfaceMeshParams;
69
89
  export declare function GaussianSurfaceVisual(materialId: number, structure: Structure, props: PD.Values<GaussianSurfaceMeshParams>, webgl?: WebGLContext): UnitsVisual<{
@@ -93,6 +113,16 @@ export declare function GaussianSurfaceVisual(materialId: number, structure: Str
93
113
  roughness: number;
94
114
  bumpiness: number;
95
115
  }>>;
116
+ clip: PD.Group<PD.Normalize<{
117
+ variant: import("../../../mol-util/clip").Clip.Variant;
118
+ objects: PD.Normalize<{
119
+ type: any;
120
+ invert: any;
121
+ position: any;
122
+ rotation: any;
123
+ scale: any;
124
+ }>[];
125
+ }>>;
96
126
  }>;
97
127
  export declare function StructureGaussianSurfaceVisual(materialId: number, structure: Structure, props: PD.Values<StructureGaussianSurfaceMeshParams>, webgl?: WebGLContext): ComplexVisual<{
98
128
  ignoreHydrogens: PD.BooleanParam;
@@ -121,6 +151,16 @@ export declare function StructureGaussianSurfaceVisual(materialId: number, struc
121
151
  roughness: number;
122
152
  bumpiness: number;
123
153
  }>>;
154
+ clip: PD.Group<PD.Normalize<{
155
+ variant: import("../../../mol-util/clip").Clip.Variant;
156
+ objects: PD.Normalize<{
157
+ type: any;
158
+ invert: any;
159
+ position: any;
160
+ rotation: any;
161
+ scale: any;
162
+ }>[];
163
+ }>>;
124
164
  }>;
125
165
  export declare function GaussianSurfaceMeshVisual(materialId: number): UnitsVisual<GaussianSurfaceMeshParams>;
126
166
  export declare function StructureGaussianSurfaceMeshVisual(materialId: number): ComplexVisual<StructureGaussianSurfaceMeshParams>;
@@ -18,6 +18,7 @@ import { getUnitExtraRadius, getStructureExtraRadius, getVolumeSliceInfo } from
18
18
  import { applyMeshColorSmoothing } from '../../../mol-geo/geometry/mesh/color-smoothing';
19
19
  import { applyTextureMeshColorSmoothing } from '../../../mol-geo/geometry/texture-mesh/color-smoothing';
20
20
  import { ColorSmoothingParams, getColorSmoothingProps } from '../../../mol-geo/geometry/base';
21
+ import { Vec3 } from '../../../mol-math/linear-algebra';
21
22
  var SharedParams = __assign(__assign(__assign({}, GaussianDensityParams), ColorSmoothingParams), { ignoreHydrogens: PD.Boolean(false), tryUseGpu: PD.Boolean(true), includeParent: PD.Boolean(false, { isHidden: true }) });
22
23
  export var GaussianSurfaceMeshParams = __assign(__assign(__assign({}, UnitsMeshParams), UnitsTextureMeshParams), SharedParams);
23
24
  export var StructureGaussianSurfaceMeshParams = __assign(__assign(__assign({}, ComplexMeshParams), ComplexTextureMeshParams), SharedParams);
@@ -55,7 +56,7 @@ function createGaussianSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
55
56
  switch (_b.label) {
56
57
  case 0:
57
58
  smoothness = props.smoothness;
58
- return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, props).runInContext(ctx.runtime)];
59
+ return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, theme.size, props).runInContext(ctx.runtime)];
59
60
  case 1:
60
61
  _a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution;
61
62
  params = {
@@ -132,7 +133,7 @@ function createStructureGaussianSurfaceMesh(ctx, structure, theme, props, mesh)
132
133
  switch (_b.label) {
133
134
  case 0:
134
135
  smoothness = props.smoothness;
135
- return [4 /*yield*/, computeStructureGaussianDensity(structure, props).runInContext(ctx.runtime)];
136
+ return [4 /*yield*/, computeStructureGaussianDensity(structure, theme.size, props).runInContext(ctx.runtime)];
136
137
  case 1:
137
138
  _a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution;
138
139
  params = {
@@ -203,7 +204,7 @@ export function StructureGaussianSurfaceMeshVisual(materialId) {
203
204
  var GaussianSurfaceName = 'gaussian-surface';
204
205
  function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, textureMesh) {
205
206
  return __awaiter(this, void 0, void 0, function () {
206
- var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, buffer, gv, boundingSphere, surface;
207
+ var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, axisOrder, buffer, gv, boundingSphere, surface;
207
208
  return __generator(this, function (_c) {
208
209
  switch (_c.label) {
209
210
  case 0:
@@ -217,12 +218,13 @@ function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, te
217
218
  ? resources.texture('image-float32', 'rgba', 'float', 'linear')
218
219
  : resources.texture('image-uint8', 'rgba', 'ubyte', 'linear');
219
220
  }
220
- return [4 /*yield*/, computeUnitGaussianDensityTexture2d(structure, unit, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
221
+ return [4 /*yield*/, computeUnitGaussianDensityTexture2d(structure, unit, theme.size, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
221
222
  case 1:
222
223
  densityTextureData = _c.sent();
223
224
  isoLevel = Math.exp(-props.smoothness) / densityTextureData.radiusFactor;
225
+ axisOrder = Vec3.create(0, 1, 2);
224
226
  buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
225
- gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
227
+ gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
226
228
  boundingSphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, props.radiusOffset + getStructureExtraRadius(structure));
227
229
  surface = TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
228
230
  surface.meta.resolution = densityTextureData.resolution;
@@ -285,7 +287,7 @@ export function GaussianSurfaceTextureMeshVisual(materialId) {
285
287
  //
286
288
  function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props, textureMesh) {
287
289
  return __awaiter(this, void 0, void 0, function () {
288
- var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, buffer, gv, boundingSphere, surface;
290
+ var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, axisOrder, buffer, gv, boundingSphere, surface;
289
291
  return __generator(this, function (_c) {
290
292
  switch (_c.label) {
291
293
  case 0:
@@ -299,12 +301,13 @@ function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props,
299
301
  ? resources.texture('image-float32', 'rgba', 'float', 'linear')
300
302
  : resources.texture('image-uint8', 'rgba', 'ubyte', 'linear');
301
303
  }
302
- return [4 /*yield*/, computeStructureGaussianDensityTexture2d(structure, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
304
+ return [4 /*yield*/, computeStructureGaussianDensityTexture2d(structure, theme.size, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
303
305
  case 1:
304
306
  densityTextureData = _c.sent();
305
307
  isoLevel = Math.exp(-props.smoothness) / densityTextureData.radiusFactor;
308
+ axisOrder = Vec3.create(0, 1, 2);
306
309
  buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
307
- gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
310
+ gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
308
311
  boundingSphere = Sphere3D.expand(Sphere3D(), structure.boundary.sphere, props.radiusOffset + getStructureExtraRadius(structure));
309
312
  surface = TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
310
313
  surface.meta.resolution = densityTextureData.resolution;
@@ -22,6 +22,16 @@ export declare const GaussianWireframeParams: {
22
22
  roughness: number;
23
23
  bumpiness: number;
24
24
  }>>;
25
+ clip: PD.Group<PD.Normalize<{
26
+ variant: import("../../../mol-util/clip").Clip.Variant;
27
+ objects: PD.Normalize<{
28
+ type: any;
29
+ invert: any;
30
+ position: any;
31
+ rotation: any;
32
+ scale: any;
33
+ }>[];
34
+ }>>;
25
35
  };
26
36
  export declare type GaussianWireframeParams = typeof GaussianWireframeParams;
27
37
  export declare function GaussianWireframeVisual(materialId: number): UnitsVisual<GaussianWireframeParams>;
@@ -19,7 +19,7 @@ function createGaussianWireframe(ctx, unit, structure, theme, props, lines) {
19
19
  switch (_b.label) {
20
20
  case 0:
21
21
  smoothness = props.smoothness;
22
- return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, props).runInContext(ctx.runtime)];
22
+ return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, theme.size, props).runInContext(ctx.runtime)];
23
23
  case 1:
24
24
  _a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField;
25
25
  params = {
@@ -39,6 +39,16 @@ export declare const LabelTextParams: {
39
39
  roughness: number;
40
40
  bumpiness: number;
41
41
  }>>;
42
+ clip: PD.Group<PD.Normalize<{
43
+ variant: import("../../../mol-util/clip").Clip.Variant;
44
+ objects: PD.Normalize<{
45
+ type: any;
46
+ invert: any;
47
+ position: any;
48
+ rotation: any;
49
+ scale: any;
50
+ }>[];
51
+ }>>;
42
52
  };
43
53
  export declare type LabelTextParams = typeof LabelTextParams;
44
54
  export declare type LabelTextProps = PD.Values<LabelTextParams>;
@@ -12,7 +12,6 @@ import { ComplexTextVisual, ComplexTextParams } from '../complex-visual';
12
12
  import { ElementIterator, getSerialElementLoci, eachSerialElement } from './util/element';
13
13
  import { ColorNames } from '../../../mol-util/color/names';
14
14
  import { Vec3 } from '../../../mol-math/linear-algebra';
15
- import { PhysicalSizeTheme } from '../../../mol-theme/size/physical';
16
15
  import { BoundaryHelper } from '../../../mol-math/geometry/boundary-helper';
17
16
  export var LabelTextParams = __assign(__assign({}, ComplexTextParams), { background: PD.Boolean(false), backgroundMargin: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }), backgroundColor: PD.Color(ColorNames.black), backgroundOpacity: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }), borderWidth: PD.Numeric(0.25, { min: 0, max: 0.5, step: 0.01 }), level: PD.Select('residue', [['chain', 'Chain'], ['residue', 'Residue'], ['element', 'Element']], { isEssential: true }), chainScale: PD.Numeric(10, { min: 0, max: 20, step: 0.1 }), residueScale: PD.Numeric(1, { min: 0, max: 20, step: 0.1 }), elementScale: PD.Numeric(0.5, { min: 0, max: 20, step: 0.1 }) });
18
17
  export function LabelTextVisual(materialId) {
@@ -110,7 +109,7 @@ function createElementText(ctx, structure, theme, props, text) {
110
109
  var units = structure.units, serialMapping = structure.serialMapping;
111
110
  var _a = StructureProperties.atom, label_atom_id = _a.label_atom_id, label_alt_id = _a.label_alt_id;
112
111
  var cumulativeUnitElementCount = serialMapping.cumulativeUnitElementCount;
113
- var sizeTheme = PhysicalSizeTheme({}, { scale: 1 });
112
+ var sizeTheme = theme.size;
114
113
  var count = structure.elementCount;
115
114
  var elementScale = props.elementScale;
116
115
  var builder = TextBuilder.create(props, count, count / 2, text);
@@ -31,6 +31,16 @@ export declare const MolecularSurfaceMeshParams: {
31
31
  roughness: number;
32
32
  bumpiness: number;
33
33
  }>>;
34
+ clip: PD.Group<PD.Normalize<{
35
+ variant: import("../../../mol-util/clip").Clip.Variant;
36
+ objects: PD.Normalize<{
37
+ type: any;
38
+ invert: any;
39
+ position: any;
40
+ rotation: any;
41
+ scale: any;
42
+ }>[];
43
+ }>>;
34
44
  };
35
45
  export declare type MolecularSurfaceMeshParams = typeof MolecularSurfaceMeshParams;
36
46
  export declare type MolecularSurfaceMeshProps = PD.Values<MolecularSurfaceMeshParams>;
@@ -22,7 +22,7 @@ function createMolecularSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
22
22
  var _a, transform, field, idField, resolution, params, surface, iterations, sphere;
23
23
  return __generator(this, function (_b) {
24
24
  switch (_b.label) {
25
- case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, props).runInContext(ctx.runtime)];
25
+ case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, theme.size, props).runInContext(ctx.runtime)];
26
26
  case 1:
27
27
  _a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, resolution = _a.resolution;
28
28
  params = {
@@ -22,6 +22,16 @@ export declare const MolecularSurfaceWireframeParams: {
22
22
  roughness: number;
23
23
  bumpiness: number;
24
24
  }>>;
25
+ clip: PD.Group<PD.Normalize<{
26
+ variant: import("../../../mol-util/clip").Clip.Variant;
27
+ objects: PD.Normalize<{
28
+ type: any;
29
+ invert: any;
30
+ position: any;
31
+ rotation: any;
32
+ scale: any;
33
+ }>[];
34
+ }>>;
25
35
  };
26
36
  export declare type MolecularSurfaceWireframeParams = typeof MolecularSurfaceWireframeParams;
27
37
  export declare function MolecularSurfaceWireframeVisual(materialId: number): UnitsVisual<MolecularSurfaceWireframeParams>;
@@ -20,7 +20,7 @@ function createMolecularSurfaceWireframe(ctx, unit, structure, theme, props, lin
20
20
  var _a, transform, field, idField, params, wireframe, sphere;
21
21
  return __generator(this, function (_b) {
22
22
  switch (_b.label) {
23
- case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, props).runInContext(ctx.runtime)];
23
+ case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, theme.size, props).runInContext(ctx.runtime)];
24
24
  case 1:
25
25
  _a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField;
26
26
  params = {
@@ -33,6 +33,16 @@ export declare const NucleotideBlockParams: {
33
33
  roughness: number;
34
34
  bumpiness: number;
35
35
  }>>;
36
+ clip: PD.Group<PD.Normalize<{
37
+ variant: import("../../../mol-util/clip").Clip.Variant;
38
+ objects: PD.Normalize<{
39
+ type: any;
40
+ invert: any;
41
+ position: any;
42
+ rotation: any;
43
+ scale: any;
44
+ }>[];
45
+ }>>;
36
46
  };
37
47
  export declare type NucleotideBlockParams = typeof NucleotideBlockParams;
38
48
  export declare function NucleotideBlockVisual(materialId: number): UnitsVisual<NucleotideBlockParams>;
@@ -36,6 +36,16 @@ export declare const NucleotideRingParams: {
36
36
  roughness: number;
37
37
  bumpiness: number;
38
38
  }>>;
39
+ clip: PD.Group<PD.Normalize<{
40
+ variant: import("../../../mol-util/clip").Clip.Variant;
41
+ objects: PD.Normalize<{
42
+ type: any;
43
+ invert: any;
44
+ position: any;
45
+ rotation: any;
46
+ scale: any;
47
+ }>[];
48
+ }>>;
39
49
  };
40
50
  export declare type NucleotideRingParams = typeof NucleotideRingParams;
41
51
  export declare function NucleotideRingVisual(materialId: number): UnitsVisual<NucleotideRingParams>;
@@ -28,6 +28,16 @@ export declare const OrientationEllipsoidMeshParams: {
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 OrientationEllipsoidMeshParams = typeof OrientationEllipsoidMeshParams;
33
43
  export declare function OrientationEllipsoidMeshVisual(materialId: number): UnitsVisual<OrientationEllipsoidMeshParams>;
@@ -26,6 +26,16 @@ export declare const PolymerBackboneCylinderParams: {
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
  flipSided: PD.BooleanParam;
30
40
  flatShaded: PD.BooleanParam;
31
41
  };
@@ -49,6 +59,16 @@ export declare function PolymerBackboneCylinderVisual(materialId: number, struct
49
59
  roughness: number;
50
60
  bumpiness: number;
51
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
+ }>>;
52
72
  flipSided: PD.BooleanParam;
53
73
  flatShaded: PD.BooleanParam;
54
74
  }>;
@@ -25,6 +25,16 @@ export declare const PolymerBackboneSphereParams: {
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
  flipSided: PD.BooleanParam;
29
39
  flatShaded: PD.BooleanParam;
30
40
  };
@@ -47,6 +57,16 @@ export declare function PolymerBackboneSphereVisual(materialId: number, structur
47
57
  roughness: number;
48
58
  bumpiness: number;
49
59
  }>>;
60
+ clip: PD.Group<PD.Normalize<{
61
+ variant: import("../../../mol-util/clip").Clip.Variant;
62
+ objects: PD.Normalize<{
63
+ type: any;
64
+ invert: any;
65
+ position: any;
66
+ rotation: any;
67
+ scale: any;
68
+ }>[];
69
+ }>>;
50
70
  flipSided: PD.BooleanParam;
51
71
  flatShaded: PD.BooleanParam;
52
72
  }>;
@@ -30,6 +30,16 @@ export declare const PolymerDirectionParams: {
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 PolymerDirectionParams = typeof PolymerDirectionParams;
35
45
  export declare function PolymerDirectionVisual(materialId: number): UnitsVisual<PolymerDirectionParams>;
@@ -33,6 +33,16 @@ export declare const PolymerGapParams: {
33
33
  roughness: number;
34
34
  bumpiness: number;
35
35
  }>>;
36
+ clip: PD.Group<PD.Normalize<{
37
+ variant: import("../../../mol-util/clip").Clip.Variant;
38
+ objects: PD.Normalize<{
39
+ type: any;
40
+ invert: any;
41
+ position: any;
42
+ rotation: any;
43
+ scale: any;
44
+ }>[];
45
+ }>>;
36
46
  };
37
47
  export declare type PolymerGapParams = typeof PolymerGapParams;
38
48
  export declare function PolymerGapVisual(materialId: number): UnitsVisual<PolymerGapParams>;
@@ -51,6 +51,16 @@ export declare const PolymerTraceParams: {
51
51
  roughness: number;
52
52
  bumpiness: number;
53
53
  }>>;
54
+ clip: PD.Group<PD.Normalize<{
55
+ variant: import("../../../mol-util/clip").Clip.Variant;
56
+ objects: PD.Normalize<{
57
+ type: any;
58
+ invert: any;
59
+ position: any;
60
+ rotation: any;
61
+ scale: any;
62
+ }>[];
63
+ }>>;
54
64
  };
55
65
  export declare type PolymerTraceParams = typeof PolymerTraceParams;
56
66
  export declare function PolymerTraceVisual(materialId: number): UnitsVisual<PolymerTraceParams>;
@@ -39,6 +39,16 @@ export declare const PolymerTubeParams: {
39
39
  roughness: number;
40
40
  bumpiness: number;
41
41
  }>>;
42
+ clip: PD.Group<PD.Normalize<{
43
+ variant: import("../../../mol-util/clip").Clip.Variant;
44
+ objects: PD.Normalize<{
45
+ type: any;
46
+ invert: any;
47
+ position: any;
48
+ rotation: any;
49
+ scale: any;
50
+ }>[];
51
+ }>>;
42
52
  };
43
53
  export declare type PolymerTubeParams = typeof PolymerTubeParams;
44
54
  export declare function PolymerTubeVisual(materialId: number): UnitsVisual<PolymerTubeParams>;
@@ -10,6 +10,7 @@ import { Loci } from '../../../../mol-model/loci';
10
10
  import { ParamDefinition as PD } from '../../../../mol-util/param-definition';
11
11
  import { AssignableArrayLike } from '../../../../mol-util/type-helpers';
12
12
  import { Box3D } from '../../../../mol-math/geometry';
13
+ import { SizeTheme } from '../../../../mol-theme/size';
13
14
  /** Return a Loci for the elements of a whole residue the elementIndex belongs to. */
14
15
  export declare function getResidueLoci(structure: Structure, unit: Unit.Atomic, elementIndex: ElementIndex): Loci;
15
16
  /**
@@ -60,7 +61,7 @@ export declare const DefaultCommonSurfaceProps: PD.Values<{
60
61
  includeParent: PD.BooleanParam;
61
62
  }>;
62
63
  export declare type CommonSurfaceProps = typeof DefaultCommonSurfaceProps;
63
- export declare function getUnitConformationAndRadius(structure: Structure, unit: Unit, props: CommonSurfaceProps): {
64
+ export declare function getUnitConformationAndRadius(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: CommonSurfaceProps): {
64
65
  position: {
65
66
  indices: SortedArray<ElementIndex>;
66
67
  x: ArrayLike<number>;
@@ -71,7 +72,7 @@ export declare function getUnitConformationAndRadius(structure: Structure, unit:
71
72
  boundary: import("../../../../mol-math/geometry/boundary").Boundary;
72
73
  radius: (index: number) => number;
73
74
  };
74
- export declare function getStructureConformationAndRadius(structure: Structure, ignoreHydrogens: boolean, traceOnly: boolean): {
75
+ export declare function getStructureConformationAndRadius(structure: Structure, sizeTheme: SizeTheme<any>, ignoreHydrogens: boolean, traceOnly: boolean): {
75
76
  position: {
76
77
  indices: OrderedSet<number>;
77
78
  x: ArrayLike<number>;
@@ -9,7 +9,6 @@ import { Mat4, Vec3 } from '../../../../mol-math/linear-algebra';
9
9
  import { createTransform } from '../../../../mol-geo/geometry/transform-data';
10
10
  import { OrderedSet, SortedArray } from '../../../../mol-data/int';
11
11
  import { EmptyLoci } from '../../../../mol-model/loci';
12
- import { PhysicalSizeTheme } from '../../../../mol-theme/size/physical';
13
12
  import { AtomicNumbers } from '../../../../mol-model/structure/model/properties/atomic';
14
13
  import { fillSerial } from '../../../../mol-util/array';
15
14
  import { ParamDefinition as PD } from '../../../../mol-util/param-definition';
@@ -149,7 +148,7 @@ function filterId(id, elements, indices) {
149
148
  }
150
149
  }
151
150
  }
152
- export function getUnitConformationAndRadius(structure, unit, props) {
151
+ export function getUnitConformationAndRadius(structure, unit, sizeTheme, props) {
153
152
  var ignoreHydrogens = props.ignoreHydrogens, traceOnly = props.traceOnly, includeParent = props.includeParent;
154
153
  var rootUnit = includeParent ? structure.root.unitMap.get(unit.id) : unit;
155
154
  var _a = getConformation(rootUnit), x = _a.x, y = _a.y, z = _a.z;
@@ -186,16 +185,14 @@ export function getUnitConformationAndRadius(structure, unit, props) {
186
185
  var position = { indices: indices, x: x, y: y, z: z, id: id };
187
186
  var boundary = unit === rootUnit ? unit.boundary : getBoundary(position);
188
187
  var l = StructureElement.Location.create(structure, rootUnit);
189
- var sizeTheme = PhysicalSizeTheme({}, { scale: 1 });
190
188
  var radius = function (index) {
191
189
  l.element = index;
192
190
  return sizeTheme.size(l);
193
191
  };
194
192
  return { position: position, boundary: boundary, radius: radius };
195
193
  }
196
- export function getStructureConformationAndRadius(structure, ignoreHydrogens, traceOnly) {
194
+ export function getStructureConformationAndRadius(structure, sizeTheme, ignoreHydrogens, traceOnly) {
197
195
  var l = StructureElement.Location.create(structure);
198
- var sizeTheme = PhysicalSizeTheme({}, { scale: 1 });
199
196
  var xs;
200
197
  var ys;
201
198
  var zs;
@@ -8,6 +8,7 @@ import { Task } from '../../../../mol-task';
8
8
  import { ParamDefinition as PD } from '../../../../mol-util/param-definition';
9
9
  import { Texture } from '../../../../mol-gl/webgl/texture';
10
10
  import { WebGLContext } from '../../../../mol-gl/webgl/context';
11
+ import { SizeTheme } from '../../../../mol-theme/size';
11
12
  export declare const GaussianDensityParams: {
12
13
  ignoreHydrogens: PD.BooleanParam;
13
14
  traceOnly: PD.BooleanParam;
@@ -26,9 +27,9 @@ export declare const DefaultGaussianDensityProps: PD.Values<{
26
27
  }>;
27
28
  export declare type GaussianDensityProps = typeof DefaultGaussianDensityProps;
28
29
  export declare function getTextureMaxCells(webgl: WebGLContext, structure?: Structure): number;
29
- export declare function computeUnitGaussianDensity(structure: Structure, unit: Unit, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
30
- export declare function computeUnitGaussianDensityTexture(structure: Structure, unit: Unit, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
31
- export declare function computeUnitGaussianDensityTexture2d(structure: Structure, unit: Unit, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
32
- export declare function computeStructureGaussianDensity(structure: Structure, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
33
- export declare function computeStructureGaussianDensityTexture(structure: Structure, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
34
- export declare function computeStructureGaussianDensityTexture2d(structure: Structure, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
30
+ export declare function computeUnitGaussianDensity(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
31
+ export declare function computeUnitGaussianDensityTexture(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
32
+ export declare function computeUnitGaussianDensityTexture2d(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
33
+ export declare function computeStructureGaussianDensity(structure: Structure, sizeTheme: SizeTheme<any>, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
34
+ export declare function computeStructureGaussianDensityTexture(structure: Structure, sizeTheme: SizeTheme<any>, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
35
+ export declare function computeStructureGaussianDensityTexture2d(structure: Structure, sizeTheme: SizeTheme<any>, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;