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
  284. package/lib/mol-plugin-state/manager/structure/selection.d.ts +2 -2
  285. package/lib/mol-plugin-state/transforms/data.d.ts +1 -1
  286. package/lib/mol-plugin-state/transforms/model.d.ts +9 -9
  287. package/lib/mol-plugin-state/transforms/representation.d.ts +2 -2
  288. package/lib/mol-repr/shape/loci/orientation.d.ts +1 -1
  289. package/lib/mol-repr/shape/model/unitcell.d.ts +1 -1
  290. package/lib/mol-repr/structure/complex-visual.d.ts +1 -1
  291. package/lib/mol-repr/structure/params.d.ts +1 -1
  292. package/lib/mol-repr/structure/registry.d.ts +19 -11
  293. package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  294. package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  295. package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +6 -6
  296. package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +3 -3
  297. package/lib/mol-repr/structure/representation/label.d.ts +3 -3
  298. package/lib/mol-repr/structure/representation/line.d.ts +34 -16
  299. package/lib/mol-repr/structure/representation/line.js +10 -4
  300. package/lib/mol-repr/structure/representation/line.js.map +1 -1
  301. package/lib/mol-repr/structure/representation/molecular-surface.d.ts +6 -6
  302. package/lib/mol-repr/structure/units-visual.d.ts +1 -1
  303. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  304. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +14 -9
  305. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js.map +1 -1
  306. package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -0
  307. package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +12 -8
  308. package/lib/mol-repr/structure/visual/bond-inter-unit-line.js.map +1 -1
  309. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  310. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +15 -7
  311. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js.map +1 -1
  312. package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +1 -0
  313. package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +13 -6
  314. package/lib/mol-repr/structure/visual/bond-intra-unit-line.js.map +1 -1
  315. package/lib/mol-repr/structure/visual/element-cross.d.ts +26 -0
  316. package/lib/mol-repr/structure/visual/element-cross.js +72 -0
  317. package/lib/mol-repr/structure/visual/element-cross.js.map +1 -0
  318. package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -2
  319. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +8 -8
  320. package/lib/mol-repr/structure/visual/label-text.d.ts +1 -1
  321. package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +2 -2
  322. package/lib/mol-repr/structure/visual/util/bond.d.ts +10 -4
  323. package/lib/mol-repr/structure/visual/util/bond.js +1 -0
  324. package/lib/mol-repr/structure/visual/util/bond.js.map +1 -1
  325. package/lib/mol-repr/structure/visual/util/color.d.ts +2 -2
  326. package/lib/mol-repr/structure/visual/util/element.d.ts +4 -4
  327. package/lib/mol-repr/structure/visual/util/link.d.ts +6 -4
  328. package/lib/mol-repr/structure/visual/util/link.js +66 -23
  329. package/lib/mol-repr/structure/visual/util/link.js.map +1 -1
  330. package/lib/mol-repr/structure/visual/util/polymer.d.ts +2 -2
  331. package/lib/mol-repr/volume/direct-volume.d.ts +5 -5
  332. package/lib/mol-repr/volume/isosurface.d.ts +3 -3
  333. package/lib/mol-repr/volume/registry.d.ts +4 -4
  334. package/lib/mol-repr/volume/slice.d.ts +6 -6
  335. package/lib/mol-theme/color/atom-id.d.ts +12 -12
  336. package/lib/mol-theme/color/chain-id.d.ts +12 -12
  337. package/lib/mol-theme/color/element-index.d.ts +12 -12
  338. package/lib/mol-theme/color/element-symbol.d.ts +12 -12
  339. package/lib/mol-theme/color/entity-id.d.ts +12 -12
  340. package/lib/mol-theme/color/entity-source.d.ts +12 -12
  341. package/lib/mol-theme/color/illustrative.d.ts +12 -12
  342. package/lib/mol-theme/color/model-index.d.ts +12 -12
  343. package/lib/mol-theme/color/operator-hkl.d.ts +12 -12
  344. package/lib/mol-theme/color/operator-name.d.ts +12 -12
  345. package/lib/mol-theme/color/polymer-id.d.ts +12 -12
  346. package/lib/mol-theme/color/polymer-index.d.ts +12 -12
  347. package/lib/mol-theme/color/unit-index.d.ts +12 -12
  348. package/lib/mol-theme/color.d.ts +78 -78
  349. package/lib/mol-util/color/palette.d.ts +12 -12
  350. package/lib/servers/model/config.js +0 -1
  351. package/lib/servers/model/config.js.map +1 -1
  352. package/lib/servers/volume/config.js +0 -1
  353. package/lib/servers/volume/config.js.map +1 -1
  354. package/lib/tsconfig.commonjs.tsbuildinfo +1 -1
  355. package/package.json +18 -18
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@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -54,61 +54,61 @@ declare namespace Loci {
54
54
  export function getPrincipalAxes(loci: Loci): PrincipalAxes | undefined;
55
55
  const Granularity: {
56
56
  element: (loci: Loci) => Loci;
57
- residue: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
58
- kind: "empty-loci";
59
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
57
+ residue: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
60
58
  kind: "every-loci";
61
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
62
- chain: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
59
+ } | {
63
60
  kind: "empty-loci";
64
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
61
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
62
+ chain: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
65
63
  kind: "every-loci";
66
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
67
- entity: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
64
+ } | {
68
65
  kind: "empty-loci";
69
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
66
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
67
+ entity: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
70
68
  kind: "every-loci";
71
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
72
- model: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
69
+ } | {
73
70
  kind: "empty-loci";
74
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
71
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
72
+ model: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
75
73
  kind: "every-loci";
76
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
77
- operator: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
74
+ } | {
78
75
  kind: "empty-loci";
79
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
76
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
77
+ operator: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
80
78
  kind: "every-loci";
81
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
82
- structure: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
79
+ } | {
83
80
  kind: "empty-loci";
84
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
81
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
82
+ structure: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
85
83
  kind: "every-loci";
86
- } | DataLoci<unknown, unknown> | Shape.Loci;
87
- elementInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
84
+ } | {
88
85
  kind: "empty-loci";
89
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
86
+ } | DataLoci<unknown, unknown> | Shape.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
87
+ elementInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
90
88
  kind: "every-loci";
91
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
92
- residueInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
89
+ } | {
93
90
  kind: "empty-loci";
94
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
91
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
92
+ residueInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
95
93
  kind: "every-loci";
96
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
97
- chainInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
94
+ } | {
98
95
  kind: "empty-loci";
99
- } | StructureElement.Loci | Structure.Loci | Bond.Loci | {
96
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
97
+ chainInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
100
98
  kind: "every-loci";
101
- } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci;
99
+ } | {
100
+ kind: "empty-loci";
101
+ } | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
102
102
  };
103
103
  export type Granularity = keyof typeof Granularity;
104
- export const GranularityOptions: ["model" | "structure" | "residue" | "element" | "chain" | "entity" | "operator" | "elementInstances" | "residueInstances" | "chainInstances", string][];
104
+ export const GranularityOptions: ["residue" | "entity" | "model" | "chain" | "element" | "structure" | "operator" | "elementInstances" | "residueInstances" | "chainInstances", string][];
105
105
  /** Exclude `Instances` granularity kinds */
106
- export function simpleGranularity(granularity: Granularity): "model" | "structure" | "residue" | "element" | "chain" | "entity" | "operator" | "elementInstances" | "residueInstances" | "chainInstances";
106
+ export function simpleGranularity(granularity: Granularity): "residue" | "entity" | "model" | "chain" | "element" | "structure" | "operator" | "elementInstances" | "residueInstances" | "chainInstances";
107
107
  export function applyGranularity(loci: Loci, granularity: Granularity): Loci;
108
108
  /**
109
109
  * Converts structure related loci to StructureElement.Loci and applies
110
110
  * granularity if given
111
111
  */
112
- export function normalize(loci: Loci, granularity?: Granularity): Loci;
112
+ export function normalize(loci: Loci, granularity?: Granularity, alwaysConvertBonds?: boolean): Loci;
113
113
  export {};
114
114
  }
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -297,8 +297,9 @@ var Loci;
297
297
  * Converts structure related loci to StructureElement.Loci and applies
298
298
  * granularity if given
299
299
  */
300
- function normalize(loci, granularity) {
301
- if (granularity !== 'element' && Bond.isLoci(loci)) {
300
+ function normalize(loci, granularity, alwaysConvertBonds) {
301
+ if (alwaysConvertBonds === void 0) { alwaysConvertBonds = false; }
302
+ if ((granularity !== 'element' || alwaysConvertBonds) && Bond.isLoci(loci)) {
302
303
  // convert Bond.Loci to a StructureElement.Loci so granularity can be applied
303
304
  loci = Bond.toStructureElementLoci(loci);
304
305
  }
@@ -1 +1 @@
1
- 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1
+ 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@@ -38,7 +38,7 @@ export declare namespace Shape {
38
38
  function getTheme(shape: Shape): Theme;
39
39
  function groupIterator(shape: Shape): LocationIterator;
40
40
  function createTransform(transforms: Mat4[], transformData?: TransformData): TransformData;
41
- function createRenderObject<G extends Geometry>(shape: Shape<G>, props: PD.Values<Geometry.Params<G>>): import("../../mol-gl/render-object").GraphicsRenderObject<"points" | "mesh" | "spheres" | "cylinders" | "text" | "lines" | "direct-volume" | "image" | "texture-mesh">;
41
+ function createRenderObject<G extends Geometry>(shape: Shape<G>, props: PD.Values<Geometry.Params<G>>): import("../../mol-gl/render-object").GraphicsRenderObject<"text" | "mesh" | "points" | "spheres" | "cylinders" | "lines" | "direct-volume" | "image" | "texture-mesh">;
42
42
  interface Loci {
43
43
  readonly kind: 'shape-loci';
44
44
  readonly shape: Shape;
@@ -10,60 +10,11 @@ export declare function checkStructureMinMaxDistance(ctx: QueryContext, a: Struc
10
10
  export declare function checkStructureMaxRadiusDistance(ctx: QueryContext, a: Structure, b: Structure, maxDist: number, elementRadius: QueryFn<number>): boolean | 0;
11
11
  declare namespace MinMaxDist {
12
12
  const enum Result {
13
- BelowMin,
14
- WithinMax,
15
- Miss
16
- }
17
- const distVec = Vec3.zero();
18
- function inUnit(ctx: QueryContext, unit: Unit, p: Vec3, eRadius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
19
- const { elements, conformation: { position } } = unit, dV = distVec;
20
- ctx.element.unit = unit;
21
- let withinRange = false;
22
- for (let i = 0, _i = elements.length; i < _i; i++) {
23
- const e = elements[i];
24
- ctx.element.element = e;
25
- const d = Math.max(0, Vec3.distance(p, position(e, dV)) - eRadius - elementRadius(ctx));
26
- if (d < minDist)
27
- return Result.BelowMin;
28
- if (d < maxDist)
29
- withinRange = true;
30
- }
31
- return withinRange ? Result.WithinMax : Result.Miss;
32
- }
33
- function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
34
- const { units } = s;
35
- let withinRange = false;
36
- for (let i = 0, _i = units.length; i < _i; i++) {
37
- const iu = inUnit(ctx, units[i], point, radius, minDist, maxDist, elementRadius);
38
- if (iu === Result.BelowMin)
39
- return Result.BelowMin;
40
- if (iu === Result.WithinMax)
41
- withinRange = true;
42
- }
43
- return withinRange ? Result.WithinMax : Result.Miss;
44
- }
45
- const distPivot = Vec3.zero();
46
- function check(ctx: QueryContext, a: Structure, b: Structure, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
47
- if (a.elementCount === 0 || b.elementCount === 0)
48
- return 0;
49
- const { units } = a;
50
- let withinRange = false;
51
- ctx.element.structure = a;
52
- for (let i = 0, _i = units.length; i < _i; i++) {
53
- const unit = units[i];
54
- const { elements, conformation: { position } } = unit;
55
- ctx.element.unit = unit;
56
- for (let i = 0, _i = elements.length; i < _i; i++) {
57
- const e = elements[i];
58
- ctx.element.element = e;
59
- const tp = toPoint(ctx, b, position(e, distPivot), elementRadius(ctx), minDist, maxDist, elementRadius);
60
- if (tp === Result.BelowMin)
61
- return Result.BelowMin;
62
- if (tp === Result.WithinMax)
63
- withinRange = true;
64
- }
65
- }
66
- return withinRange;
13
+ BelowMin = 0,
14
+ WithinMax = 1,
15
+ Miss = 2
67
16
  }
17
+ function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>): Result;
18
+ function check(ctx: QueryContext, a: Structure, b: Structure, minDist: number, maxDist: number, elementRadius: QueryFn<number>): boolean | 0 | Result.BelowMin;
68
19
  }
69
20
  export {};
@@ -41,7 +41,7 @@ declare const StructureProperties: {
41
41
  microheterogeneityCompIds: StructureElement.Property<string[]>;
42
42
  secondary_structure_type: StructureElement.Property<SecondaryStructureType>;
43
43
  secondary_structure_key: StructureElement.Property<number>;
44
- chem_comp_type: StructureElement.Property<"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">;
44
+ chem_comp_type: StructureElement.Property<"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">;
45
45
  };
46
46
  chain: {
47
47
  key: StructureElement.Property<import("../model").ChainIndex>;
@@ -52,7 +52,7 @@ declare const StructureProperties: {
52
52
  entity: {
53
53
  key: StructureElement.Property<import("../model").EntityIndex>;
54
54
  id: StructureElement.Property<string>;
55
- type: StructureElement.Property<"polymer" | "water" | "branched" | "non-polymer" | "macrolide">;
55
+ type: StructureElement.Property<"non-polymer" | "polymer" | "macrolide" | "water" | "branched">;
56
56
  src_method: StructureElement.Property<"nat" | "man" | "syn">;
57
57
  pdbx_description: StructureElement.Property<string[]>;
58
58
  formula_weight: StructureElement.Property<number>;
@@ -68,7 +68,7 @@ declare const StructureProperties: {
68
68
  id: StructureElement.Property<number>;
69
69
  chainGroupId: StructureElement.Property<number>;
70
70
  multiChain: StructureElement.Property<boolean>;
71
- object_primitive: StructureElement.Property<"sphere" | "gaussian" | "atomistic">;
71
+ object_primitive: StructureElement.Property<"atomistic" | "sphere" | "gaussian">;
72
72
  operator_name: StructureElement.Property<string>;
73
73
  model_index: StructureElement.Property<number>;
74
74
  model_label: StructureElement.Property<string>;
@@ -66,7 +66,7 @@ function findIndexPairBonds(unit) {
66
66
  if ((d !== -1 && equalEps(dist, d, 0.5)) || dist < maxDistance) {
67
67
  atomA[atomA.length] = _aI;
68
68
  atomB[atomB.length] = _bI;
69
- orders[order.length] = order[i];
69
+ orders[orders.length] = order[i];
70
70
  flags[flags.length] = flag[i];
71
71
  }
72
72
  }
@@ -1 +1 @@
1
- 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{"version":3,"file":"intra-compute.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/structure/unit/bonds/intra-compute.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;;AAGH,OAAO,EAAE,cAAc,EAAE,MAAM,QAAQ,CAAC;AAExC,OAAO,EAAE,iBAAiB,EAAE,MAAM,+BAA+B,CAAC;AAClE,OAAO,EAAwB,aAAa,EAAE,SAAS,EAAE,mBAAmB,EAAE,UAAU,EAAE,uBAAuB,EAAE,2BAA2B,EAAE,MAAM,UAAU,CAAC;AACjK,OAAO,EAAE,WAAW,EAAE,MAAM,6BAA6B,CAAC;AAC1D,OAAO,EAAE,0BAA0B,EAAE,MAAM,wCAAwC,CAAC;AAEpF,OAAO,EAAE,cAAc,EAAE,MAAM,sEAAsE,CAAC;AACtG,OAAO,EAAE,aAAa,EAAE,MAAM,qEAAqE,CAAC;AACpG,OAAO,EAAE,UAAU,EAAE,MAAM,uEAAuE,CAAC;AACnG,OAAO,EAAE,IAAI,EAAE,MAAM,wCAAwC,CAAC;AAE9D,OAAO,EAAE,QAAQ,EAAE,MAAM,kDAAkD,CAAC;AAC5E,OAAO,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AAE7C,SAAS,QAAQ,CAAC,KAAmC,EAAE,KAAmC,EAAE,MAAgB,EAAE,MAAgB,EAAE,SAAiB,EAAE,QAAiB;IAChK,IAAM,OAAO,GAAG,IAAI,iBAAiB,CAAC,WAAW,CAAC,SAAS,EAAE,KAAK,EAAE,KAAK,CAAC,CAAC;IAC3E,IAAM,KAAK,GAAG,IAAI,WAAW,CAAC,OAAO,CAAC,SAAS,CAAC,CAAC;IACjD,IAAM,KAAK,GAAG,IAAI,SAAS,CAAC,OAAO,CAAC,SAAS,CAAC,CAAC;IAC/C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,OAAO,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QACjD,OAAO,CAAC,WAAW,EAAE,CAAC;QACtB,OAAO,CAAC,cAAc,CAAC,KAAK,EAAE,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;QACzC,OAAO,CAAC,cAAc,CAAC,KAAK,EAAE,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;KAC5C;IAED,OAAO,OAAO,CAAC,WAAW,CAAC,EAAE,KAAK,OAAA,EAAE,KAAK,OAAA,EAAE,EAAE,EAAE,QAAQ,UAAA,EAAE,CAAC,CAAC;AAC/D,CAAC;AAED,IAAM,WAAW,GAAG,IAAI,EAAE,CAAC;AAC3B,IAAM,WAAW,GAAG,IAAI,EAAE,CAAC;AAC3B,SAAS,WAAW,CAAC,IAAiB,EAAE,MAAoB,EAAE,MAAoB;IAC9E,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,EAAE,WAAW,CAAC,CAAC;IAChD,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,EAAE,WAAW,CAAC,CAAC;IAChD,OAAO,IAAI,CAAC,QAAQ,CAAC,WAAW,EAAE,WAAW,CAAC,CAAC;AACnD,CAAC;AAED,IAAM,iBAAiB,GAAG,IAAI,GAAG,EAA8B,CAAC;AAEhE,SAAS,kBAAkB,CAAC,IAAiB;IACzC,IAAM,UAAU,GAAG,cAAc,CAAC,QAAQ,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAE,CAAC;IACpD,IAAU,KAAK,GAAK,IAAI,SAAT,CAAU;IACzB,IAAA,WAAW,GAAK,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,KAAK,YAArC,CAAsC;IACzD,IAAM,SAAS,GAAG,IAAI,CAAC,QAAQ,CAAC,MAAM,CAAC;IAC/B,IAAA,WAAW,GAAK,UAAU,YAAf,CAAgB;IAC7B,IAAA,KAAsD,UAAU,CAAC,KAAK,EAApE,MAAM,YAAA,EAAE,CAAC,OAAA,EAAE,iBAAoC,EAAvB,KAAK,WAAA,EAAE,QAAQ,cAAA,EAAE,IAAI,UAAuB,CAAC;IAErE,IAAiB,WAAW,GAAK,IAAI,CAAC,KAAK,CAAC,eAAe,gBAA/B,CAAgC;IAC5D,IAAA,aAAa,GAAK,KAAK,CAAC,0BAA0B,CAAC,IAAI,CAAC,KAAK,CAAC,cAAjD,CAAkD;IAEvE,IAAM,KAAK,GAAiC,EAAE,CAAC;IAC/C,IAAM,KAAK,GAAiC,EAAE,CAAC;IAC/C,IAAM,KAAK,GAAa,EAAE,CAAC;IAC3B,IAAM,MAAM,GAAa,EAAE,CAAC;IAE5B,KAAK,IAAI,GAAG,GAAG,CAA+B,EAAE,GAAG,GAAG,SAAS,EAAE,GAAG,EAAE,EAAE;QACpE,IAAM,EAAE,GAAG,KAAK,CAAC,GAAG,CAAC,CAAC;QACtB,IAAM,IAAI,GAAG,WAAW,CAAC,KAAK,CAAC,EAAE,CAAC,KAAK,GAAG,CAAC;QAE3C,IAAM,IAAI,GAAG,WAAW,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC;QAEnC,KAAK,IAAI,CAAC,GAAG,MAAM,CAAC,IAAI,CAAC,EAAE,EAAE,GAAG,MAAM,CAAC,IAAI,GAAG,CAAC,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAC3D,IAAM,EAAE,GAAG,aAAa,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YAC/B,IAAI,EAAE,IAAI,EAAE;gBAAE,SAAS;YAEvB,IAAM,GAAG,GAAG,WAAW,CAAC,OAAO,CAAC,IAAI,CAAC,QAAQ,EAAE,EAAE,CAA+B,CAAC;YACjF,IAAI,GAAG,GAAG,CAAC;gBAAE,SAAS;YACtB,IAAI,IAAI,IAAI,WAAW,CAAC,KAAK,CAAC,EAAE,CAAC,KAAK,GAAG;gBAAE,SAAS;YAEpD,IAAM,CAAC,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;YACtB,IAAM,IAAI,GAAG,WAAW,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;YACvC,IAAI,CAAC,CAAC,KAAK,CAAC,CAAC,IAAI,QAAQ,CAAC,IAAI,EAAE,CAAC,EAAE,GAAG,CAAC,CAAC,IAAI,IAAI,GAAG,WAAW,EAAE;gBAC5D,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,GAAG,CAAC;gBAC1B,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,GAAG,CAAC;gBAC1B,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;gBACjC,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;aACjC;SACJ;KACJ;IAED,OAAO,QAAQ,CAAC,KAAK,EAAE,KAAK,EAAE,MAAM,EAAE,KAAK,EAAE,SAAS,EAAE,KAAK,CAAC,CAAC;AACnE,CAAC;AAED,SAAS,SAAS,CAAC,IAAiB,EAAE,KAA2B;IACrD,IAAA,SAAS,GAAK,KAAK,UAAV,CAAW;IAEtB,IAAA,KAAc,IAAI,CAAC,KAAK,CAAC,kBAAkB,EAAzC,CAAC,OAAA,EAAE,CAAC,OAAA,EAAE,CAAC,OAAkC,CAAC;IAClD,IAAM,SAAS,GAAG,IAAI,CAAC,QAAQ,CAAC,MAAM,CAAC;IAC/B,IAAU,KAAK,GAA+B,IAAI,SAAnC,EAAE,YAAY,GAAiB,IAAI,aAArB,EAAE,UAAU,GAAK,IAAI,WAAT,CAAU;IACrD,IAAA,KAA8D,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,KAAK,EAA5F,WAAW,iBAAA,EAAE,aAAa,mBAAA,EAAE,YAAY,kBAAA,EAAE,aAAa,mBAAqC,CAAC;IAC7F,IAAA,YAAY,GAAK,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,QAAQ,aAAxC,CAAyC;IACrD,IAAA,KAAK,GAAK,IAAI,CAAC,KAAK,CAAC,eAAe,MAA/B,CAAgC;IACrC,IAAA,WAAW,GAAK,IAAI,CAAC,KAAK,CAAC,QAAQ,YAAxB,CAAyB;IAC5C,IAAM,OAAO,GAAG,IAAI,CAAC,QAAQ,CAAC;IAE9B,IAAM,UAAU,GAAG,UAAU,CAAC,QAAQ,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACvD,IAAM,SAAS,GAAG,aAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAEzD,IAAM,oBAAoB,GAAG,UAAU,CAAC,YAAY,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAEjE,IAAM,KAAK,GAAiC,EAAE,CAAC;IAC/C,IAAM,KAAK,GAAiC,EAAE,CAAC;IAC/C,IAAM,KAAK,GAAa,EAAE,CAAC;IAC3B,IAAM,KAAK,GAAa,EAAE,CAAC;IAE3B,IAAI,WAAW,GAAG,CAAC,CAAC,CAAC;IACrB,IAAI,YAAY,GAA2E,KAAK,CAAC,CAAC;IAElG,IAAI,QAAQ,GAAG,IAAI,EAAE,iBAAiB,GAAG,IAAI,EAAE,WAAW,GAAG,IAAI,CAAC;IAElE,IAAM,eAAe,GAAG,iBAAiB,CAAC;IAE1C,KAAK,IAAI,GAAG,GAAG,CAA+B,EAAE,GAAG,GAAG,SAAS,EAAE,GAAG,EAAE,EAAE;QACpE,IAAM,EAAE,GAAG,KAAK,CAAC,GAAG,CAAC,CAAC;QAEtB,IAAM,KAAK,GAAG,WAAW,CAAC,KAAK,CAAC,EAAE,CAAC,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@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -38,6 +38,7 @@ declare namespace Bond {
38
38
  function isLociEmpty(loci: Loci): boolean;
39
39
  function remapLoci(loci: Loci, structure: Structure): Loci;
40
40
  function toStructureElementLoci(loci: Loci): StructureElement.Loci;
41
+ function toFirstStructureElementLoci(loci: Loci): StructureElement.Loci;
41
42
  function getType(structure: Structure, location: Location<Unit.Atomic>): BondType;
42
43
  function getOrder(structure: Structure, location: Location<Unit.Atomic>): number;
43
44
  function getIntraUnitBondCount(structure: Structure): number;
@@ -1,12 +1,12 @@
1
1
  /**
2
- * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
6
  */
7
7
  import { Unit, StructureElement } from '../../structure';
8
8
  import { BondType } from '../../model/types';
9
- import { SortedArray } from '../../../../mol-data/int';
9
+ import { SortedArray, OrderedSet } from '../../../../mol-data/int';
10
10
  import { CentroidHelper } from '../../../../mol-math/geometry/centroid-helper';
11
11
  export * from './bonds/data';
12
12
  export * from './bonds/intra-compute';
@@ -115,6 +115,11 @@ var Bond;
115
115
  return StructureElement.Loci(loci.structure, elements);
116
116
  }
117
117
  Bond.toStructureElementLoci = toStructureElementLoci;
118
+ function toFirstStructureElementLoci(loci) {
119
+ var _a = loci.bonds[0], aUnit = _a.aUnit, aIndex = _a.aIndex;
120
+ return StructureElement.Loci(loci.structure, [{ unit: aUnit, indices: OrderedSet.ofSingleton(aIndex) }]);
121
+ }
122
+ Bond.toFirstStructureElementLoci = toFirstStructureElementLoci;
118
123
  function getType(structure, location) {
119
124
  if (location.aUnit === location.bUnit) {
120
125
  var bonds = location.aUnit.bonds;
@@ -1 +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
  };