molstar 2.3.3 → 2.3.5

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 (355) hide show
  1. package/CHANGELOG.md +18 -2
  2. package/build/viewer/index.html +7 -1
  3. package/build/viewer/molstar.js +1 -1
  4. package/lib/apps/viewer/index.d.ts +6 -4
  5. package/lib/apps/viewer/index.html +7 -1
  6. package/lib/apps/viewer/index.js +8 -4
  7. package/lib/apps/viewer/index.js.map +1 -1
  8. package/lib/cli/chem-comp-dict/util.d.ts +4 -4
  9. package/lib/commonjs/apps/viewer/index.d.ts +7 -5
  10. package/lib/commonjs/apps/viewer/index.js +8 -4
  11. package/lib/commonjs/apps/viewer/index.js.map +1 -1
  12. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +4 -4
  13. package/lib/commonjs/extensions/cellpack/model.d.ts +1 -1
  14. package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +1 -1
  15. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
  16. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
  17. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
  18. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  19. package/lib/commonjs/mol-canvas3d/camera/util.d.ts +4 -3
  20. package/lib/commonjs/mol-canvas3d/camera/util.js +15 -16
  21. package/lib/commonjs/mol-canvas3d/camera/util.js.map +1 -1
  22. package/lib/commonjs/mol-canvas3d/camera.d.ts +11 -3
  23. package/lib/commonjs/mol-canvas3d/camera.js +21 -1
  24. package/lib/commonjs/mol-canvas3d/camera.js.map +1 -1
  25. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +14 -4
  26. package/lib/commonjs/mol-canvas3d/canvas3d.js +8 -2
  27. package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
  28. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +2 -2
  29. package/lib/commonjs/mol-canvas3d/helper/interaction-events.d.ts +13 -4
  30. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +43 -9
  31. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js.map +1 -1
  32. package/lib/commonjs/mol-canvas3d/passes/draw.js +1 -0
  33. package/lib/commonjs/mol-canvas3d/passes/draw.js.map +1 -1
  34. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  35. package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +5 -2
  36. package/lib/commonjs/mol-canvas3d/passes/pick.js +17 -3
  37. package/lib/commonjs/mol-canvas3d/passes/pick.js.map +1 -1
  38. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
  39. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +10 -1
  40. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
  41. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
  42. package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
  43. package/lib/commonjs/mol-geo/geometry/image/image.js.map +1 -1
  44. package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
  45. package/lib/commonjs/mol-geo/geometry/lines/lines.js.map +1 -1
  46. package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
  47. package/lib/commonjs/mol-geo/geometry/points/points.js.map +1 -1
  48. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
  49. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
  50. package/lib/commonjs/mol-gl/renderer.d.ts +3 -2
  51. package/lib/commonjs/mol-gl/renderer.js +3 -0
  52. package/lib/commonjs/mol-gl/renderer.js.map +1 -1
  53. package/lib/commonjs/mol-gl/shader/lines.vert.d.ts +1 -1
  54. package/lib/commonjs/mol-gl/shader/lines.vert.js +1 -1
  55. package/lib/commonjs/mol-gl/shader/lines.vert.js.map +1 -1
  56. package/lib/commonjs/mol-gl/shader/points.vert.d.ts +1 -1
  57. package/lib/commonjs/mol-gl/shader/points.vert.js +1 -1
  58. package/lib/commonjs/mol-gl/shader/points.vert.js.map +1 -1
  59. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  60. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +5 -5
  61. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +2 -2
  62. package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +4 -4
  63. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
  64. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +22 -22
  65. package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
  66. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.d.ts +3 -1
  67. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +11 -3
  68. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js.map +1 -1
  69. package/lib/commonjs/mol-math/misc.d.ts +3 -1
  70. package/lib/commonjs/mol-math/misc.js +24 -2
  71. package/lib/commonjs/mol-math/misc.js.map +1 -1
  72. package/lib/commonjs/mol-model/loci.d.ts +32 -32
  73. package/lib/commonjs/mol-model/loci.js +4 -3
  74. package/lib/commonjs/mol-model/loci.js.map +1 -1
  75. package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
  76. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  77. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +3 -3
  78. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  79. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js.map +1 -1
  80. package/lib/commonjs/mol-model/structure/structure/unit/bonds.d.ts +2 -1
  81. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +6 -1
  82. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js.map +1 -1
  83. package/lib/commonjs/mol-model/structure/structure/unit.d.ts +2 -2
  84. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +12 -12
  85. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +6 -6
  86. package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +8 -8
  87. package/lib/commonjs/mol-model-formats/structure/common/entity.d.ts +1 -1
  88. package/lib/commonjs/mol-model-formats/structure/pdb/entity.js +29 -3
  89. package/lib/commonjs/mol-model-formats/structure/pdb/entity.js.map +1 -1
  90. package/lib/commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts +12 -12
  91. package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +1 -1
  92. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +4 -2
  93. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +22 -8
  94. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js.map +1 -1
  95. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +10 -10
  96. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +7 -7
  97. package/lib/commonjs/mol-plugin/commands.d.ts +6 -2
  98. package/lib/commonjs/mol-plugin/config.d.ts +1 -0
  99. package/lib/commonjs/mol-plugin/config.js +1 -0
  100. package/lib/commonjs/mol-plugin/config.js.map +1 -1
  101. package/lib/commonjs/mol-plugin/context.js +6 -4
  102. package/lib/commonjs/mol-plugin/context.js.map +1 -1
  103. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +6 -6
  104. package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +3 -3
  105. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +7 -7
  106. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +7 -7
  107. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +10 -10
  108. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +16 -16
  109. package/lib/commonjs/mol-plugin-state/helpers/root-structure.d.ts +7 -7
  110. package/lib/commonjs/mol-plugin-state/helpers/structure-component.d.ts +1 -1
  111. package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +2 -2
  112. package/lib/commonjs/mol-plugin-state/manager/interactivity.js +12 -11
  113. package/lib/commonjs/mol-plugin-state/manager/interactivity.js.map +1 -1
  114. package/lib/commonjs/mol-plugin-state/manager/structure/selection.d.ts +2 -2
  115. package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +1 -1
  116. package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +9 -9
  117. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +1 -1
  118. package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +2 -2
  119. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -1
  120. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +1 -1
  121. package/lib/commonjs/mol-repr/structure/params.d.ts +1 -1
  122. package/lib/commonjs/mol-repr/structure/registry.d.ts +23 -15
  123. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +9 -6
  124. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +9 -6
  125. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +6 -6
  126. package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +3 -3
  127. package/lib/commonjs/mol-repr/structure/representation/line.d.ts +37 -19
  128. package/lib/commonjs/mol-repr/structure/representation/line.js +10 -4
  129. package/lib/commonjs/mol-repr/structure/representation/line.js.map +1 -1
  130. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +6 -6
  131. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +1 -1
  132. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +6 -4
  133. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +14 -9
  134. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js.map +1 -1
  135. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +3 -2
  136. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +12 -8
  137. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js.map +1 -1
  138. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +6 -4
  139. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +15 -7
  140. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js.map +1 -1
  141. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +3 -2
  142. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +13 -6
  143. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js.map +1 -1
  144. package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +26 -0
  145. package/lib/commonjs/mol-repr/structure/visual/element-cross.js +77 -0
  146. package/lib/commonjs/mol-repr/structure/visual/element-cross.js.map +1 -0
  147. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -2
  148. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +8 -8
  149. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +2 -2
  150. package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +22 -16
  151. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +1 -0
  152. package/lib/commonjs/mol-repr/structure/visual/util/bond.js.map +1 -1
  153. package/lib/commonjs/mol-repr/structure/visual/util/color.d.ts +2 -2
  154. package/lib/commonjs/mol-repr/structure/visual/util/element.d.ts +4 -4
  155. package/lib/commonjs/mol-repr/structure/visual/util/link.d.ts +6 -4
  156. package/lib/commonjs/mol-repr/structure/visual/util/link.js +66 -23
  157. package/lib/commonjs/mol-repr/structure/visual/util/link.js.map +1 -1
  158. package/lib/commonjs/mol-repr/structure/visual/util/polymer.d.ts +2 -2
  159. package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +5 -5
  160. package/lib/commonjs/mol-repr/volume/isosurface.d.ts +3 -3
  161. package/lib/commonjs/mol-repr/volume/registry.d.ts +4 -4
  162. package/lib/commonjs/mol-repr/volume/slice.d.ts +6 -6
  163. package/lib/commonjs/mol-theme/color/atom-id.d.ts +12 -12
  164. package/lib/commonjs/mol-theme/color/chain-id.d.ts +12 -12
  165. package/lib/commonjs/mol-theme/color/element-index.d.ts +12 -12
  166. package/lib/commonjs/mol-theme/color/element-symbol.d.ts +12 -12
  167. package/lib/commonjs/mol-theme/color/entity-id.d.ts +12 -12
  168. package/lib/commonjs/mol-theme/color/entity-source.d.ts +12 -12
  169. package/lib/commonjs/mol-theme/color/illustrative.d.ts +12 -12
  170. package/lib/commonjs/mol-theme/color/model-index.d.ts +12 -12
  171. package/lib/commonjs/mol-theme/color/operator-hkl.d.ts +12 -12
  172. package/lib/commonjs/mol-theme/color/operator-name.d.ts +12 -12
  173. package/lib/commonjs/mol-theme/color/polymer-id.d.ts +12 -12
  174. package/lib/commonjs/mol-theme/color/polymer-index.d.ts +12 -12
  175. package/lib/commonjs/mol-theme/color/unit-index.d.ts +12 -12
  176. package/lib/commonjs/mol-theme/color.d.ts +78 -78
  177. package/lib/commonjs/mol-util/color/palette.d.ts +12 -12
  178. package/lib/commonjs/servers/model/config.js +0 -1
  179. package/lib/commonjs/servers/model/config.js.map +1 -1
  180. package/lib/commonjs/servers/volume/config.js +0 -1
  181. package/lib/commonjs/servers/volume/config.js.map +1 -1
  182. package/lib/extensions/cellpack/model.d.ts +1 -1
  183. package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
  184. package/lib/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
  185. package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
  186. package/lib/extensions/rcsb/validation-report/representation.js +2 -2
  187. package/lib/mol-canvas3d/camera/util.d.ts +4 -3
  188. package/lib/mol-canvas3d/camera/util.js +15 -16
  189. package/lib/mol-canvas3d/camera/util.js.map +1 -1
  190. package/lib/mol-canvas3d/camera.d.ts +11 -3
  191. package/lib/mol-canvas3d/camera.js +22 -2
  192. package/lib/mol-canvas3d/camera.js.map +1 -1
  193. package/lib/mol-canvas3d/canvas3d.d.ts +14 -4
  194. package/lib/mol-canvas3d/canvas3d.js +9 -3
  195. package/lib/mol-canvas3d/canvas3d.js.map +1 -1
  196. package/lib/mol-canvas3d/helper/camera-helper.d.ts +2 -2
  197. package/lib/mol-canvas3d/helper/interaction-events.d.ts +13 -4
  198. package/lib/mol-canvas3d/helper/interaction-events.js +43 -9
  199. package/lib/mol-canvas3d/helper/interaction-events.js.map +1 -1
  200. package/lib/mol-canvas3d/passes/draw.js +1 -0
  201. package/lib/mol-canvas3d/passes/draw.js.map +1 -1
  202. package/lib/mol-canvas3d/passes/image.d.ts +2 -2
  203. package/lib/mol-canvas3d/passes/pick.d.ts +5 -2
  204. package/lib/mol-canvas3d/passes/pick.js +17 -3
  205. package/lib/mol-canvas3d/passes/pick.js.map +1 -1
  206. package/lib/mol-data/int/impl/ordered-set.d.ts +3 -3
  207. package/lib/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
  208. package/lib/mol-geo/geometry/direct-volume/direct-volume.js +12 -3
  209. package/lib/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
  210. package/lib/mol-geo/geometry/image/image.d.ts +2 -2
  211. package/lib/mol-geo/geometry/image/image.js +5 -2
  212. package/lib/mol-geo/geometry/image/image.js.map +1 -1
  213. package/lib/mol-geo/geometry/lines/lines.js +1 -1
  214. package/lib/mol-geo/geometry/lines/lines.js.map +1 -1
  215. package/lib/mol-geo/geometry/points/points.js +1 -1
  216. package/lib/mol-geo/geometry/points/points.js.map +1 -1
  217. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
  218. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
  219. package/lib/mol-gl/renderer.d.ts +3 -2
  220. package/lib/mol-gl/renderer.js +3 -0
  221. package/lib/mol-gl/renderer.js.map +1 -1
  222. package/lib/mol-gl/shader/lines.vert.d.ts +1 -1
  223. package/lib/mol-gl/shader/lines.vert.js +1 -1
  224. package/lib/mol-gl/shader/lines.vert.js.map +1 -1
  225. package/lib/mol-gl/shader/points.vert.d.ts +1 -1
  226. package/lib/mol-gl/shader/points.vert.js +1 -1
  227. package/lib/mol-gl/shader/points.vert.js.map +1 -1
  228. package/lib/mol-gl/webgl/context.d.ts +1 -1
  229. package/lib/mol-io/reader/cif/schema/bird.d.ts +5 -5
  230. package/lib/mol-io/reader/cif/schema/ccd.d.ts +2 -2
  231. package/lib/mol-io/reader/cif/schema/density-server.d.ts +4 -4
  232. package/lib/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
  233. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +23 -23
  234. package/lib/mol-io/reader/ply/schema.d.ts +1 -1
  235. package/lib/mol-math/linear-algebra/3d/vec3.d.ts +3 -1
  236. package/lib/mol-math/linear-algebra/3d/vec3.js +11 -3
  237. package/lib/mol-math/linear-algebra/3d/vec3.js.map +1 -1
  238. package/lib/mol-math/misc.d.ts +3 -1
  239. package/lib/mol-math/misc.js +22 -1
  240. package/lib/mol-math/misc.js.map +1 -1
  241. package/lib/mol-model/loci.d.ts +32 -32
  242. package/lib/mol-model/loci.js +4 -3
  243. package/lib/mol-model/loci.js.map +1 -1
  244. package/lib/mol-model/shape/shape.d.ts +1 -1
  245. package/lib/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  246. package/lib/mol-model/structure/structure/properties.d.ts +3 -3
  247. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  248. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js.map +1 -1
  249. package/lib/mol-model/structure/structure/unit/bonds.d.ts +2 -1
  250. package/lib/mol-model/structure/structure/unit/bonds.js +7 -2
  251. package/lib/mol-model/structure/structure/unit/bonds.js.map +1 -1
  252. package/lib/mol-model/structure/structure/unit.d.ts +2 -2
  253. package/lib/mol-model-formats/shape/ply.d.ts +12 -12
  254. package/lib/mol-model-formats/structure/basic/schema.d.ts +6 -6
  255. package/lib/mol-model-formats/structure/common/component.d.ts +8 -8
  256. package/lib/mol-model-formats/structure/common/entity.d.ts +1 -1
  257. package/lib/mol-model-formats/structure/pdb/entity.js +29 -3
  258. package/lib/mol-model-formats/structure/pdb/entity.js.map +1 -1
  259. package/lib/mol-model-props/sequence/themes/best-database-mapping.d.ts +12 -12
  260. package/lib/mol-plugin/behavior/behavior.d.ts +1 -1
  261. package/lib/mol-plugin/behavior/dynamic/representation.d.ts +4 -2
  262. package/lib/mol-plugin/behavior/dynamic/representation.js +23 -9
  263. package/lib/mol-plugin/behavior/dynamic/representation.js.map +1 -1
  264. package/lib/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +10 -10
  265. package/lib/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +7 -7
  266. package/lib/mol-plugin/commands.d.ts +6 -2
  267. package/lib/mol-plugin/config.d.ts +1 -0
  268. package/lib/mol-plugin/config.js +1 -0
  269. package/lib/mol-plugin/config.js.map +1 -1
  270. package/lib/mol-plugin/context.js +6 -4
  271. package/lib/mol-plugin/context.js.map +1 -1
  272. package/lib/mol-plugin/util/viewport-screenshot.d.ts +6 -6
  273. package/lib/mol-plugin/version.js +2 -2
  274. package/lib/mol-plugin-state/animation/built-in/model-index.d.ts +3 -3
  275. package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +7 -7
  276. package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +7 -7
  277. package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +10 -10
  278. package/lib/mol-plugin-state/formats/volume.d.ts +16 -16
  279. package/lib/mol-plugin-state/helpers/root-structure.d.ts +7 -7
  280. package/lib/mol-plugin-state/helpers/structure-component.d.ts +1 -1
  281. package/lib/mol-plugin-state/manager/interactivity.d.ts +2 -2
  282. package/lib/mol-plugin-state/manager/interactivity.js +12 -11
  283. package/lib/mol-plugin-state/manager/interactivity.js.map +1 -1
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@@ -183,8 +183,8 @@ declare namespace Unit {
183
183
  export function isSameConformation(u: Unit, model: Model): boolean;
184
184
  export function getModelConformationOfKind(kind: Unit.Kind, model: Model): CoarseSphereConformation | CoarseGaussianConformation | import("../model/properties/atomic").AtomicConformation;
185
185
  export function getConformation(u: Unit): CoarseSphereConformation | CoarseGaussianConformation | import("../model/properties/atomic").AtomicConformation;
186
- export function getModelHierarchyOfKind(kind: Unit.Kind, model: Model): CoarseElements | import("../model/properties/atomic").AtomicHierarchy;
187
- export function getHierarchy(u: Unit): CoarseElements | import("../model/properties/atomic").AtomicHierarchy;
186
+ export function getModelHierarchyOfKind(kind: Unit.Kind, model: Model): import("../model/properties/atomic").AtomicHierarchy | CoarseElements;
187
+ export function getHierarchy(u: Unit): import("../model/properties/atomic").AtomicHierarchy | CoarseElements;
188
188
  export {};
189
189
  }
190
190
  export { Unit };
@@ -12,19 +12,19 @@ import { Mesh } from '../../mol-geo/geometry/mesh/mesh';
12
12
  import { ParamDefinition as PD } from '../../mol-util/param-definition';
13
13
  export declare const PlyShapeParams: {
14
14
  coloring: PD.Mapped<PD.NamedParams<PD.Normalize<{
15
+ color: Color;
16
+ }>, "uniform"> | PD.NamedParams<PD.Normalize<{
15
17
  red: string;
16
18
  green: string;
17
19
  blue: string;
18
- }>, "material"> | PD.NamedParams<PD.Normalize<{
19
- color: Color;
20
- }>, "uniform"> | PD.NamedParams<PD.Normalize<{
20
+ }>, "vertex"> | PD.NamedParams<PD.Normalize<{
21
21
  red: string;
22
22
  green: string;
23
23
  blue: string;
24
- }>, "vertex">>;
25
- grouping: PD.Mapped<PD.NamedParams<PD.Normalize<{
24
+ }>, "material">>;
25
+ grouping: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "none"> | PD.NamedParams<PD.Normalize<{
26
26
  group: string;
27
- }>, "vertex"> | PD.NamedParams<PD.Normalize<unknown>, "none">>;
27
+ }>, "vertex">>;
28
28
  doubleSided: PD.BooleanParam;
29
29
  flipSided: PD.BooleanParam;
30
30
  flatShaded: PD.BooleanParam;
@@ -36,19 +36,19 @@ export declare const PlyShapeParams: {
36
36
  export declare type PlyShapeParams = typeof PlyShapeParams;
37
37
  export declare function shapeFromPly(source: PlyFile, params?: {}): Task<ShapeProvider<PlyFile, Mesh, {
38
38
  coloring: PD.Mapped<PD.NamedParams<PD.Normalize<{
39
+ color: Color;
40
+ }>, "uniform"> | PD.NamedParams<PD.Normalize<{
39
41
  red: string;
40
42
  green: string;
41
43
  blue: string;
42
- }>, "material"> | PD.NamedParams<PD.Normalize<{
43
- color: Color;
44
- }>, "uniform"> | PD.NamedParams<PD.Normalize<{
44
+ }>, "vertex"> | PD.NamedParams<PD.Normalize<{
45
45
  red: string;
46
46
  green: string;
47
47
  blue: string;
48
- }>, "vertex">>;
49
- grouping: PD.Mapped<PD.NamedParams<PD.Normalize<{
48
+ }>, "material">>;
49
+ grouping: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "none"> | PD.NamedParams<PD.Normalize<{
50
50
  group: string;
51
- }>, "vertex"> | PD.NamedParams<PD.Normalize<unknown>, "none">>;
51
+ }>, "vertex">>;
52
52
  doubleSided: PD.BooleanParam;
53
53
  flipSided: PD.BooleanParam;
54
54
  flatShaded: PD.BooleanParam;
@@ -60,7 +60,7 @@ export declare const BasicSchema: {
60
60
  formula_weight: import("../../../mol-data/db/column").Column.Schema.Float;
61
61
  id: import("../../../mol-data/db/column").Column.Schema.Str;
62
62
  src_method: import("../../../mol-data/db/column").Column.Schema.Aliased<"nat" | "man" | "syn">;
63
- type: import("../../../mol-data/db/column").Column.Schema.Aliased<"polymer" | "water" | "branched" | "non-polymer" | "macrolide">;
63
+ type: import("../../../mol-data/db/column").Column.Schema.Aliased<"non-polymer" | "polymer" | "macrolide" | "water" | "branched">;
64
64
  pdbx_description: import("../../../mol-data/db/column").Column.Schema.List<string>;
65
65
  pdbx_number_of_molecules: import("../../../mol-data/db/column").Column.Schema.Int;
66
66
  pdbx_mutation: import("../../../mol-data/db/column").Column.Schema.Str;
@@ -69,8 +69,8 @@ export declare const BasicSchema: {
69
69
  };
70
70
  entity_poly: {
71
71
  entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
72
- nstd_linkage: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
73
- nstd_monomer: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
72
+ nstd_linkage: import("../../../mol-data/db/column").Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
73
+ nstd_monomer: import("../../../mol-data/db/column").Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
74
74
  type: import("../../../mol-data/db/column").Column.Schema.Aliased<"other" | "polypeptide(D)" | "polypeptide(L)" | "polydeoxyribonucleotide" | "polyribonucleotide" | "polydeoxyribonucleotide/polyribonucleotide hybrid" | "cyclic-pseudo-peptide" | "peptide nucleic acid">;
75
75
  pdbx_strand_id: import("../../../mol-data/db/column").Column.Schema.List<string>;
76
76
  pdbx_seq_one_letter_code: import("../../../mol-data/db/column").Column.Schema.Str;
@@ -79,7 +79,7 @@ export declare const BasicSchema: {
79
79
  };
80
80
  entity_poly_seq: {
81
81
  entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
82
- hetero: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
82
+ hetero: import("../../../mol-data/db/column").Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
83
83
  mon_id: import("../../../mol-data/db/column").Column.Schema.Str;
84
84
  num: import("../../../mol-data/db/column").Column.Schema.Int;
85
85
  };
@@ -88,11 +88,11 @@ export declare const BasicSchema: {
88
88
  type: import("../../../mol-data/db/column").Column.Schema.Aliased<"oligosaccharide">;
89
89
  };
90
90
  chem_comp: {
91
- type: import("../../../mol-data/db/column").Column.Schema.Aliased<"non-polymer" | "other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "Ion" | "Lipid">;
91
+ type: import("../../../mol-data/db/column").Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
92
92
  formula: import("../../../mol-data/db/column").Column.Schema.Str;
93
93
  formula_weight: import("../../../mol-data/db/column").Column.Schema.Float;
94
94
  id: import("../../../mol-data/db/column").Column.Schema.Str;
95
- mon_nstd_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
95
+ mon_nstd_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
96
96
  name: import("../../../mol-data/db/column").Column.Schema.Str;
97
97
  pdbx_synonyms: import("../../../mol-data/db/column").Column.Schema.List<string>;
98
98
  };
@@ -19,29 +19,29 @@ export declare class ComponentBuilder {
19
19
  private getType;
20
20
  has(compId: string): boolean;
21
21
  get(compId: string): Table.Row<Pick<{
22
- type: Column.Schema.Aliased<"non-polymer" | "other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "Ion" | "Lipid">;
22
+ type: Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
23
23
  formula: Column.Schema.Str;
24
24
  formula_weight: Column.Schema.Float;
25
25
  id: Column.Schema.Str;
26
- mon_nstd_flag: Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
26
+ mon_nstd_flag: Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
27
27
  name: Column.Schema.Str;
28
28
  pdbx_synonyms: Column.Schema.List<string>;
29
- }, "type" | "name" | "id">> | undefined;
29
+ }, "id" | "type" | "name">> | undefined;
30
30
  add(compId: string, index: number): Table.Row<Pick<{
31
- type: Column.Schema.Aliased<"non-polymer" | "other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "Ion" | "Lipid">;
31
+ type: Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
32
32
  formula: Column.Schema.Str;
33
33
  formula_weight: Column.Schema.Float;
34
34
  id: Column.Schema.Str;
35
- mon_nstd_flag: Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
35
+ mon_nstd_flag: Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
36
36
  name: Column.Schema.Str;
37
37
  pdbx_synonyms: Column.Schema.List<string>;
38
- }, "type" | "name" | "id">>;
38
+ }, "id" | "type" | "name">>;
39
39
  getChemCompTable(): Table<{
40
- type: Column.Schema.Aliased<"non-polymer" | "other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "Ion" | "Lipid">;
40
+ type: Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
41
41
  formula: Column.Schema.Str;
42
42
  formula_weight: Column.Schema.Float;
43
43
  id: Column.Schema.Str;
44
- mon_nstd_flag: Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
44
+ mon_nstd_flag: Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
45
45
  name: Column.Schema.Str;
46
46
  pdbx_synonyms: Column.Schema.List<string>;
47
47
  }>;
@@ -28,7 +28,7 @@ export declare class EntityBuilder {
28
28
  formula_weight: Column.Schema.Float;
29
29
  id: Column.Schema.Str;
30
30
  src_method: Column.Schema.Aliased<"nat" | "man" | "syn">;
31
- type: Column.Schema.Aliased<"polymer" | "water" | "branched" | "non-polymer" | "macrolide">;
31
+ type: Column.Schema.Aliased<"non-polymer" | "polymer" | "macrolide" | "water" | "branched">;
32
32
  pdbx_description: Column.Schema.List<string>;
33
33
  pdbx_number_of_molecules: Column.Schema.Int;
34
34
  pdbx_mutation: Column.Schema.Str;
@@ -21,7 +21,7 @@ function parseCmpnd(lines, lineStart, lineEnd) {
21
21
  var getLine = function (n) { return lines.data.substring(lines.indices[2 * n], lines.indices[2 * n + 1]); };
22
22
  var currentSpec;
23
23
  var currentCompound = { chains: [], description: '' };
24
- var Compounds = [];
24
+ var compounds = [];
25
25
  for (var i = lineStart; i < lineEnd; i++) {
26
26
  var line = getLine(i);
27
27
  // COLUMNS DATA TYPE FIELD DEFINITION
@@ -47,7 +47,7 @@ function parseCmpnd(lines, lineStart, lineEnd) {
47
47
  chains: [],
48
48
  description: ''
49
49
  };
50
- Compounds.push(currentCompound);
50
+ compounds.push(currentCompound);
51
51
  }
52
52
  else if (currentSpec === 'MOLECULE') {
53
53
  if (currentCompound.description)
@@ -58,7 +58,33 @@ function parseCmpnd(lines, lineStart, lineEnd) {
58
58
  Array.prototype.push.apply(currentCompound.chains, value.split(/\s*,\s*/));
59
59
  }
60
60
  }
61
- return Compounds;
61
+ // Define a seprate entity for each chain
62
+ // --------------------------------------
63
+ //
64
+ // This is a workaround for how sequences are currently determined for PDB files.
65
+ //
66
+ // The current approach infers the "observed sequence" from the atomic hierarchy.
67
+ // However, for example for PDB ID 3HHR, this approach fails, since chains B and C
68
+ // belong to the same entity but contain different observed sequence, which causes display
69
+ // errors in the sequence viewer (since the sequences are determined "per entity").
70
+ //
71
+ // A better approach could be to parse SEQRES categories and use it to construct
72
+ // entity_poly_seq category. However, this would require constructing label_seq_id (with gaps)
73
+ // from RES ID pdb column (auth_seq_id), which isn't a trivial exercise.
74
+ //
75
+ // (properly formatted) mmCIF structures do not exhibit this issue.
76
+ var singletons = [];
77
+ for (var _i = 0, compounds_1 = compounds; _i < compounds_1.length; _i++) {
78
+ var comp = compounds_1[_i];
79
+ for (var _a = 0, _b = comp.chains; _a < _b.length; _a++) {
80
+ var chain = _b[_a];
81
+ singletons.push({
82
+ description: comp.description,
83
+ chains: [chain]
84
+ });
85
+ }
86
+ }
87
+ return singletons;
62
88
  }
63
89
  exports.parseCmpnd = parseCmpnd;
64
90
  function parseHetnam(lines, lineStart, lineEnd) {
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../../src/mol-model-formats/structure/pdb/entity.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAKH,IAAM,IAAI,GAAG;IACT,QAAQ,EAAE,EAAE;IACZ,UAAU,EAAE,EAAE;IACd,OAAO,EAAE,EAAE;IACX,UAAU,EAAE,EAAE;IACd,SAAS,EAAE,EAAE;IACb,IAAI,EAAE,EAAE;IACR,YAAY,EAAE,EAAE;IAChB,UAAU,EAAE,EAAE;IACd,eAAe,EAAE,EAAE;CACtB,CAAC;AAGF,SAAgB,UAAU,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACxE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAI,WAA6B,CAAC;IAClC,IAAI,eAAe,GAAmB,EAAE,MAAM,EAAE,EAAE,EAAE,WAAW,EAAE,EAAE,EAAE,CAAC;IACtE,IAAM,SAAS,GAAqB,EAAE,CAAC;IAEvC,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,qFAAqF;QACrF,yCAAyC;QACzC,wFAAwF;QACxF,uFAAuF;QACvF,qBAAqB;QAErB,IAAM,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QACzC,IAAM,YAAY,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;QACxC,IAAM,SAAS,GAAG,KAAK,CAAC,SAAS,CAAC,CAAC,EAAE,YAAY,CAAC,CAAC;QAEnD,IAAI,KAAK,SAAQ,CAAC;QAElB,IAAI,SAAS,IAAI,IAAI,EAAE;YACnB,WAAW,GAAG,SAAiB,CAAC;YAChC,KAAK,GAAG,KAAK,CAAC,SAAS,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;SAC7C;aAAM;YACH,KAAK,GAAG,KAAK,CAAC;SACjB;QACD,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC;QAEhC,IAAI,WAAW,KAAK,QAAQ,EAAE;YAC1B,eAAe,GAAG;gBACd,MAAM,EAAE,EAAE;gBACV,WAAW,EAAE,EAAE;aAClB,CAAC;YACF,SAAS,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;SACnC;aAAM,IAAI,WAAW,KAAK,UAAU,EAAE;YACnC,IAAI,eAAe,CAAC,WAAW;gBAAE,eAAe,CAAC,WAAW,IAAI,GAAG,CAAC;YACpE,eAAe,CAAC,WAAW,IAAI,KAAK,CAAC;SACxC;aAAM,IAAI,WAAW,KAAK,OAAO,EAAE;YAChC,KAAK,CAAC,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,MAAM,EAAE,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC;SAC9E;KACJ;IAED,yCAAyC;IACzC,yCAAyC;IACzC,EAAE;IACF,iFAAiF;IACjF,EAAE;IACF,iFAAiF;IACjF,kFAAkF;IAClF,0FAA0F;IAC1F,mFAAmF;IACnF,EAAE;IACF,gFAAgF;IAChF,8FAA8F;IAC9F,wEAAwE;IACxE,EAAE;IACF,mEAAmE;IACnE,IAAM,UAAU,GAAqB,EAAE,CAAC;IACxC,KAAmB,UAAS,EAAT,uBAAS,EAAT,uBAAS,EAAT,IAAS,EAAE;QAAzB,IAAM,IAAI,kBAAA;QACX,KAAoB,UAAW,EAAX,KAAA,IAAI,CAAC,MAAM,EAAX,cAAW,EAAX,IAAW,EAAE;YAA5B,IAAM,KAAK,SAAA;YACZ,UAAU,CAAC,IAAI,CAAC;gBACZ,WAAW,EAAE,IAAI,CAAC,WAAW;gBAC7B,MAAM,EAAE,CAAC,KAAK,CAAC;aAClB,CAAC,CAAC;SACN;KACJ;IACD,OAAO,UAAU,CAAC;AACtB,CAAC;AArED,gCAqEC;AAED,SAAgB,WAAW,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACzE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAM,OAAO,GAAG,IAAI,GAAG,EAAkB,CAAC;IAE1C,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,+EAA+E;QAC/E,uCAAuC;QACvC,wFAAwF;QACxF,+EAA+E;QAC/E,6DAA6D;QAE7D,IAAM,GAAG,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;QACtC,IAAM,MAAI,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QAEpC,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE;YAClB,OAAO,CAAC,GAAG,CAAC,GAAG,EAAK,OAAO,CAAC,GAAG,CAAC,GAAG,CAAE,SAAI,MAAM,CAAC,CAAC;SACpD;aAAM;YACH,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,MAAI,CAAC,CAAC;SAC1B;KACJ;IAED,OAAO,OAAO,CAAC;AACnB,CAAC;AAzBD,kCAyBC"}
@@ -8,34 +8,34 @@ import { ThemeDataContext } from '../../../mol-theme/theme';
8
8
  import { ParamDefinition as PD } from '../../../mol-util/param-definition';
9
9
  export declare const BestDatabaseSequenceMappingColorThemeParams: {
10
10
  palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
11
- list: {
12
- kind: "interpolate" | "set";
13
- colors: import("../../../mol-util/color/color").ColorListEntry[];
14
- };
15
- }>, "colors"> | PD.NamedParams<PD.Normalize<{
16
11
  maxCount: number;
17
12
  hue: [number, number];
18
13
  chroma: [number, number];
19
14
  luminance: [number, number];
20
15
  clusteringStepCount: number;
21
16
  minSampleCount: number;
22
- }>, "generate">>;
17
+ }>, "generate"> | PD.NamedParams<PD.Normalize<{
18
+ list: {
19
+ kind: "set" | "interpolate";
20
+ colors: import("../../../mol-util/color/color").ColorListEntry[];
21
+ };
22
+ }>, "colors">>;
23
23
  };
24
24
  export declare type BestDatabaseSequenceMappingColorThemeParams = typeof BestDatabaseSequenceMappingColorThemeParams;
25
25
  export declare function getBestDatabaseSequenceMappingColorThemeParams(ctx: ThemeDataContext): {
26
26
  palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
27
- list: {
28
- kind: "interpolate" | "set";
29
- colors: import("../../../mol-util/color/color").ColorListEntry[];
30
- };
31
- }>, "colors"> | PD.NamedParams<PD.Normalize<{
32
27
  maxCount: number;
33
28
  hue: [number, number];
34
29
  chroma: [number, number];
35
30
  luminance: [number, number];
36
31
  clusteringStepCount: number;
37
32
  minSampleCount: number;
38
- }>, "generate">>;
33
+ }>, "generate"> | PD.NamedParams<PD.Normalize<{
34
+ list: {
35
+ kind: "set" | "interpolate";
36
+ colors: import("../../../mol-util/color/color").ColorListEntry[];
37
+ };
38
+ }>, "colors">>;
39
39
  };
40
40
  export declare function BestDatabaseSequenceMappingColorTheme(ctx: ThemeDataContext, props: PD.Values<BestDatabaseSequenceMappingColorThemeParams>): ColorTheme<BestDatabaseSequenceMappingColorThemeParams>;
41
41
  export declare const BestDatabaseSequenceMappingColorThemeProvider: ColorTheme.Provider<BestDatabaseSequenceMappingColorThemeParams, 'best-sequence-database-mapping'>;
@@ -114,7 +114,7 @@ declare namespace PluginBehavior {
114
114
  export const CreateCategory: StateTransformer<Root, Category, ParamDefinition.Normalize<{
115
115
  label: string;
116
116
  }>>;
117
- export function getCategoryId(t: StateTransformer): "common" | "representation" | "interaction" | "custom-props" | "misc";
117
+ export function getCategoryId(t: StateTransformer): "representation" | "custom-props" | "common" | "interaction" | "misc";
118
118
  export function create<P>(params: CreateParams<P>): StateTransformer<Category, Behavior, P>;
119
119
  export function simpleCommandHandler<T>(cmd: PluginCommand<T>, action: (data: T, ctx: PluginContext) => void | Promise<void>): {
120
120
  new (ctx: PluginContext): {
@@ -12,7 +12,8 @@ export declare const HighlightLoci: import("../../../mol-state/transformer").Sta
12
12
  hoverHighlightOnly: Binding;
13
13
  hoverHighlightOnlyExtend: Binding;
14
14
  }>;
15
- ignore: PD.Value<("volume-loci" | "isosurface-loci" | "empty-loci" | "cell-loci" | "every-loci" | "element-loci" | "structure-loci" | "bond-loci" | "data-loci" | "shape-loci" | "group-loci")[]>;
15
+ ignore: PD.Value<("every-loci" | "empty-loci" | "element-loci" | "structure-loci" | "bond-loci" | "data-loci" | "shape-loci" | "group-loci" | "volume-loci" | "isosurface-loci" | "cell-loci")[]>;
16
+ preferAtoms: PD.BooleanParam;
16
17
  mark: PD.BooleanParam;
17
18
  }>>;
18
19
  export declare const SelectLoci: import("../../../mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, PD.Values<{
@@ -24,7 +25,8 @@ export declare const SelectLoci: import("../../../mol-state/transformer").StateT
24
25
  clickDeselect: Binding;
25
26
  clickDeselectAllOnEmpty: Binding;
26
27
  }>;
27
- ignore: PD.Value<("volume-loci" | "isosurface-loci" | "empty-loci" | "cell-loci" | "every-loci" | "element-loci" | "structure-loci" | "bond-loci" | "data-loci" | "shape-loci" | "group-loci")[]>;
28
+ ignore: PD.Value<("every-loci" | "empty-loci" | "element-loci" | "structure-loci" | "bond-loci" | "data-loci" | "shape-loci" | "group-loci" | "volume-loci" | "isosurface-loci" | "cell-loci")[]>;
29
+ preferAtoms: PD.BooleanParam;
28
30
  mark: PD.BooleanParam;
29
31
  }>>;
30
32
  export declare const DefaultLociLabelProvider: import("../../../mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, unknown>;
@@ -31,6 +31,7 @@ var DefaultHighlightLociBindings = {
31
31
  var HighlightLociParams = {
32
32
  bindings: param_definition_1.ParamDefinition.Value(DefaultHighlightLociBindings, { isHidden: true }),
33
33
  ignore: param_definition_1.ParamDefinition.Value([], { isHidden: true }),
34
+ preferAtoms: param_definition_1.ParamDefinition.Boolean(false, { description: 'Always prefer atoms over bonds' }),
34
35
  mark: param_definition_1.ParamDefinition.Boolean(true)
35
36
  };
36
37
  exports.HighlightLoci = behavior_1.PluginBehavior.create({
@@ -47,6 +48,11 @@ exports.HighlightLoci = behavior_1.PluginBehavior.create({
47
48
  };
48
49
  return _this;
49
50
  }
51
+ class_1.prototype.getLoci = function (loci) {
52
+ return this.params.preferAtoms && structure_1.Bond.isLoci(loci) && loci.bonds.length === 2
53
+ ? structure_1.Bond.toFirstStructureElementLoci(loci)
54
+ : loci;
55
+ };
50
56
  class_1.prototype.register = function () {
51
57
  var _this = this;
52
58
  this.subscribeObservable(this.ctx.behaviors.interaction.hover, function (_a) {
@@ -54,19 +60,20 @@ exports.HighlightLoci = behavior_1.PluginBehavior.create({
54
60
  var current = _a.current, buttons = _a.buttons, modifiers = _a.modifiers;
55
61
  if (!_this.ctx.canvas3d || _this.ctx.isBusy)
56
62
  return;
57
- if (((_b = _this.params.ignore) === null || _b === void 0 ? void 0 : _b.indexOf(current.loci.kind)) >= 0) {
63
+ var loci = _this.getLoci(current.loci);
64
+ if (((_b = _this.params.ignore) === null || _b === void 0 ? void 0 : _b.indexOf(loci.kind)) >= 0) {
58
65
  _this.ctx.managers.interactivity.lociHighlights.highlightOnly({ repr: current.repr, loci: loci_1.EmptyLoci });
59
66
  return;
60
67
  }
61
68
  var matched = false;
62
69
  if (binding_1.Binding.match(_this.params.bindings.hoverHighlightOnly, buttons, modifiers)) {
63
70
  // remove repr to highlight loci everywhere on hover
64
- _this.ctx.managers.interactivity.lociHighlights.highlightOnly({ loci: current.loci });
71
+ _this.ctx.managers.interactivity.lociHighlights.highlightOnly({ loci: loci });
65
72
  matched = true;
66
73
  }
67
74
  if (binding_1.Binding.match(_this.params.bindings.hoverHighlightOnlyExtend, buttons, modifiers)) {
68
75
  // remove repr to highlight loci everywhere on hover
69
- _this.ctx.managers.interactivity.lociHighlights.highlightOnlyExtend({ loci: current.loci });
76
+ _this.ctx.managers.interactivity.lociHighlights.highlightOnlyExtend({ loci: loci });
70
77
  matched = true;
71
78
  }
72
79
  if (!matched) {
@@ -95,6 +102,7 @@ var DefaultSelectLociBindings = {
95
102
  var SelectLociParams = {
96
103
  bindings: param_definition_1.ParamDefinition.Value(DefaultSelectLociBindings, { isHidden: true }),
97
104
  ignore: param_definition_1.ParamDefinition.Value([], { isHidden: true }),
105
+ preferAtoms: param_definition_1.ParamDefinition.Boolean(false, { description: 'Always prefer atoms over bonds' }),
98
106
  mark: param_definition_1.ParamDefinition.Boolean(true)
99
107
  };
100
108
  exports.SelectLoci = behavior_1.PluginBehavior.create({
@@ -112,6 +120,11 @@ exports.SelectLoci = behavior_1.PluginBehavior.create({
112
120
  _this.spine = new spine_1.StateTreeSpine.Impl(ctx.state.data.cells);
113
121
  return _this;
114
122
  }
123
+ class_2.prototype.getLoci = function (loci) {
124
+ return this.params.preferAtoms && structure_1.Bond.isLoci(loci) && loci.bonds.length === 2
125
+ ? structure_1.Bond.toFirstStructureElementLoci(loci)
126
+ : loci;
127
+ };
115
128
  class_2.prototype.applySelectMark = function (ref, clear) {
116
129
  var cell = this.ctx.state.data.cells.get(ref);
117
130
  if (cell && objects_1.PluginStateObject.isRepresentation3D(cell.obj)) {
@@ -128,8 +141,8 @@ exports.SelectLoci = behavior_1.PluginBehavior.create({
128
141
  };
129
142
  class_2.prototype.register = function () {
130
143
  var _this = this;
131
- var lociIsEmpty = function (current) { return loci_1.Loci.isEmpty(current.loci); };
132
- var lociIsNotEmpty = function (current) { return !loci_1.Loci.isEmpty(current.loci); };
144
+ var lociIsEmpty = function (loci) { return loci_1.Loci.isEmpty(loci); };
145
+ var lociIsNotEmpty = function (loci) { return !loci_1.Loci.isEmpty(loci); };
133
146
  var actions = [
134
147
  ['clickSelect', function (current) { return _this.ctx.managers.interactivity.lociSelects.select(current); }, lociIsNotEmpty],
135
148
  ['clickToggle', function (current) { return _this.ctx.managers.interactivity.lociSelects.toggle(current); }, lociIsNotEmpty],
@@ -150,13 +163,14 @@ exports.SelectLoci = behavior_1.PluginBehavior.create({
150
163
  var current = _a.current, button = _a.button, modifiers = _a.modifiers;
151
164
  if (!_this.ctx.canvas3d || _this.ctx.isBusy || !_this.ctx.selectionMode)
152
165
  return;
153
- if (((_b = _this.params.ignore) === null || _b === void 0 ? void 0 : _b.indexOf(current.loci.kind)) >= 0)
166
+ var loci = _this.getLoci(current.loci);
167
+ if (((_b = _this.params.ignore) === null || _b === void 0 ? void 0 : _b.indexOf(loci.kind)) >= 0)
154
168
  return;
155
169
  // only trigger the 1st action that matches
156
170
  for (var _i = 0, actions_1 = actions; _i < actions_1.length; _i++) {
157
171
  var _c = actions_1[_i], binding = _c[0], action = _c[1], condition = _c[2];
158
- if (binding_1.Binding.match(_this.params.bindings[binding], button, modifiers) && (!condition || condition(current))) {
159
- action(current);
172
+ if (binding_1.Binding.match(_this.params.bindings[binding], button, modifiers) && (!condition || condition(loci))) {
173
+ action({ repr: current.repr, loci: loci });
160
174
  break;
161
175
  }
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  }
@@ -1 +1 @@
1
- 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@@ -49,20 +49,20 @@ export declare namespace VolumeStreaming {
49
49
  channelParams?: DefaultChannelParams;
50
50
  }): {
51
51
  entry: PD.Mapped<PD.NamedParams<PD.Values<{
52
- view: PD.Mapped<PD.NamedParams<PD.Normalize<{
53
- bottomLeft: Vec3;
54
- topRight: Vec3;
55
- }>, "box"> | PD.NamedParams<PD.Normalize<{
52
+ view: PD.Mapped<PD.NamedParams<PD.Normalize<{}>, "cell"> | PD.NamedParams<PD.Normalize<{
56
53
  radius: number;
57
54
  selectionDetailLevel: number;
58
55
  isSelection: boolean;
59
56
  bottomLeft: Vec3;
60
57
  topRight: Vec3;
61
58
  }>, "auto"> | PD.NamedParams<PD.Normalize<{}>, "off"> | PD.NamedParams<PD.Normalize<{
59
+ bottomLeft: Vec3;
60
+ topRight: Vec3;
61
+ }>, "box"> | PD.NamedParams<PD.Normalize<{
62
62
  radius: number;
63
63
  bottomLeft: Vec3;
64
64
  topRight: Vec3;
65
- }>, "selection-box"> | PD.NamedParams<PD.Normalize<{}>, "cell">>;
65
+ }>, "selection-box">>;
66
66
  detailLevel: PD.Select<number>;
67
67
  channels: PD.Group<PD.Normalize<{
68
68
  em: PD.Normalize<ChannelParams>;
@@ -81,20 +81,20 @@ export declare namespace VolumeStreaming {
81
81
  structure?: Structure;
82
82
  channelParams?: DefaultChannelParams;
83
83
  }): {
84
- view: PD.Mapped<PD.NamedParams<PD.Normalize<{
85
- bottomLeft: Vec3;
86
- topRight: Vec3;
87
- }>, "box"> | PD.NamedParams<PD.Normalize<{
84
+ view: PD.Mapped<PD.NamedParams<PD.Normalize<{}>, "cell"> | PD.NamedParams<PD.Normalize<{
88
85
  radius: number;
89
86
  selectionDetailLevel: number;
90
87
  isSelection: boolean;
91
88
  bottomLeft: Vec3;
92
89
  topRight: Vec3;
93
90
  }>, "auto"> | PD.NamedParams<PD.Normalize<{}>, "off"> | PD.NamedParams<PD.Normalize<{
91
+ bottomLeft: Vec3;
92
+ topRight: Vec3;
93
+ }>, "box"> | PD.NamedParams<PD.Normalize<{
94
94
  radius: number;
95
95
  bottomLeft: Vec3;
96
96
  topRight: Vec3;
97
- }>, "selection-box"> | PD.NamedParams<PD.Normalize<{}>, "cell">>;
97
+ }>, "selection-box">>;
98
98
  detailLevel: PD.Select<number>;
99
99
  channels: PD.Group<PD.Normalize<{
100
100
  em: PD.Normalize<ChannelParams>;
@@ -29,29 +29,29 @@ declare const CreateVolumeStreamingInfo: StateTransformer<SO.Molecule.Structure,
29
29
  serverUrl: string;
30
30
  entries: PD.Normalize<PD.Values<{
31
31
  dataId: PD.Text<string>;
32
- source: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "x-ray"> | PD.NamedParams<PD.Normalize<{
32
+ source: PD.Mapped<PD.NamedParams<PD.Normalize<{
33
33
  isoValue: any;
34
- }>, "em">>;
34
+ }>, "em"> | PD.NamedParams<PD.Normalize<unknown>, "x-ray">>;
35
35
  }>>[];
36
36
  }>>;
37
37
  export { CreateVolumeStreamingBehavior };
38
38
  declare type CreateVolumeStreamingBehavior = typeof CreateVolumeStreamingBehavior;
39
39
  declare const CreateVolumeStreamingBehavior: StateTransformer<VolumeServerInfo, VolumeStreaming, PD.Normalize<{
40
40
  entry: PD.NamedParams<PD.Values<{
41
- view: PD.Mapped<PD.NamedParams<PD.Normalize<{
42
- bottomLeft: any;
43
- topRight: any;
44
- }>, "box"> | PD.NamedParams<PD.Normalize<{
41
+ view: PD.Mapped<PD.NamedParams<PD.Normalize<{}>, "cell"> | PD.NamedParams<PD.Normalize<{
45
42
  radius: any;
46
43
  selectionDetailLevel: any;
47
44
  isSelection: any;
48
45
  bottomLeft: any;
49
46
  topRight: any;
50
47
  }>, "auto"> | PD.NamedParams<PD.Normalize<{}>, "off"> | PD.NamedParams<PD.Normalize<{
48
+ bottomLeft: any;
49
+ topRight: any;
50
+ }>, "box"> | PD.NamedParams<PD.Normalize<{
51
51
  radius: any;
52
52
  bottomLeft: any;
53
53
  topRight: any;
54
- }>, "selection-box"> | PD.NamedParams<PD.Normalize<{}>, "cell">>;
54
+ }>, "selection-box">>;
55
55
  detailLevel: PD.Select<number>;
56
56
  channels: PD.Group<PD.Normalize<{
57
57
  em: any;