molstar 2.3.3 → 2.3.8

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 (1829) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +176 -176
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +94 -88
  5. package/build/viewer/molstar.css +1 -2
  6. package/build/viewer/molstar.js +1 -1
  7. package/lib/apps/docking-viewer/index.html +36 -36
  8. package/lib/apps/docking-viewer/index.js +1 -1
  9. package/lib/apps/docking-viewer/index.js.map +1 -1
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.d.ts +296 -5
  12. package/lib/apps/viewer/index.html +94 -88
  13. package/lib/apps/viewer/index.js +99 -9
  14. package/lib/apps/viewer/index.js.map +1 -1
  15. package/lib/cli/chem-comp-dict/create-ions.js +1 -1
  16. package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
  17. package/lib/cli/chem-comp-dict/create-table.js +3 -3
  18. package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
  19. package/lib/cli/chem-comp-dict/util.d.ts +4 -4
  20. package/lib/cli/chem-comp-dict/util.js +2 -2
  21. package/lib/cli/chem-comp-dict/util.js.map +1 -1
  22. package/lib/cli/cif2bcif/converter.js +2 -2
  23. package/lib/cli/cif2bcif/converter.js.map +1 -1
  24. package/lib/cli/cifschema/index.js +12 -12
  25. package/lib/cli/cifschema/index.js.map +1 -1
  26. package/lib/cli/cifschema/util/cif-dic.js +19 -19
  27. package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
  28. package/lib/cli/cifschema/util/generate.js +21 -21
  29. package/lib/cli/cifschema/util/generate.js.map +1 -1
  30. package/lib/cli/cifschema/util/schema.js +1 -1
  31. package/lib/cli/cifschema/util/schema.js.map +1 -1
  32. package/lib/cli/lipid-params/index.js +3 -3
  33. package/lib/cli/lipid-params/index.js.map +1 -1
  34. package/lib/cli/state-docs/index.js +4 -4
  35. package/lib/cli/state-docs/index.js.map +1 -1
  36. package/lib/cli/state-docs/pd-to-md.js +10 -10
  37. package/lib/cli/state-docs/pd-to-md.js.map +1 -1
  38. package/lib/cli/structure-info/model.js +18 -18
  39. package/lib/cli/structure-info/model.js.map +1 -1
  40. package/lib/cli/structure-info/volume.js +1 -1
  41. package/lib/cli/structure-info/volume.js.map +1 -1
  42. package/lib/commonjs/apps/docking-viewer/index.js +1 -1
  43. package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
  44. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  45. package/lib/commonjs/apps/viewer/index.d.ts +296 -5
  46. package/lib/commonjs/apps/viewer/index.js +99 -9
  47. package/lib/commonjs/apps/viewer/index.js.map +1 -1
  48. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
  49. package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
  50. package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
  51. package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
  52. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +6 -6
  53. package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
  54. package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
  55. package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
  56. package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
  57. package/lib/commonjs/cli/cif2bcif/index.js +0 -0
  58. package/lib/commonjs/cli/cifschema/index.js +12 -12
  59. package/lib/commonjs/cli/cifschema/index.js.map +1 -1
  60. package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
  61. package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
  62. package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
  63. package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
  64. package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
  65. package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
  66. package/lib/commonjs/cli/lipid-params/index.js +3 -3
  67. package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
  68. package/lib/commonjs/cli/state-docs/index.js +4 -4
  69. package/lib/commonjs/cli/state-docs/index.js.map +1 -1
  70. package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
  71. package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
  72. package/lib/commonjs/cli/structure-info/model.js +18 -18
  73. package/lib/commonjs/cli/structure-info/model.js.map +1 -1
  74. package/lib/commonjs/cli/structure-info/volume.js +1 -1
  75. package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
  76. package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
  77. package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
  78. package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
  79. package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
  80. package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
  81. package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
  82. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
  83. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
  84. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
  85. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
  86. package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
  87. package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
  88. package/lib/commonjs/examples/task.js +6 -6
  89. package/lib/commonjs/examples/task.js.map +1 -1
  90. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
  91. package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
  92. package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
  93. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
  94. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  95. package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
  96. package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
  97. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  98. package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
  99. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  100. package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
  101. package/lib/commonjs/extensions/cellpack/curve.js +2 -2
  102. package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
  103. package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
  104. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  105. package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
  106. package/lib/commonjs/extensions/cellpack/model.js +203 -65
  107. package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
  108. package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
  109. package/lib/commonjs/extensions/cellpack/preset.js +12 -15
  110. package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
  111. package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
  112. package/lib/commonjs/extensions/cellpack/property.js +1 -1
  113. package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
  114. package/lib/commonjs/extensions/cellpack/representation.js +47 -0
  115. package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
  116. package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
  117. package/lib/commonjs/extensions/cellpack/state.js +234 -27
  118. package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
  119. package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
  120. package/lib/commonjs/extensions/cellpack/util.js +34 -6
  121. package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
  122. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  123. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +6 -6
  124. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
  125. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
  126. package/lib/commonjs/extensions/g3d/data.js +2 -2
  127. package/lib/commonjs/extensions/g3d/data.js.map +1 -1
  128. package/lib/commonjs/extensions/g3d/model.js +2 -2
  129. package/lib/commonjs/extensions/g3d/model.js.map +1 -1
  130. package/lib/commonjs/extensions/geo-export/controls.js +2 -2
  131. package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
  132. package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
  133. package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
  134. package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +1 -1
  135. package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
  136. package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
  137. package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
  138. package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
  139. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
  140. package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
  141. package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
  142. package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
  143. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  144. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
  145. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
  146. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
  147. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -6
  148. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
  149. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
  150. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
  151. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
  152. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
  153. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
  154. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
  155. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
  156. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
  157. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
  158. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  159. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
  160. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
  161. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
  162. package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
  163. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +25 -10
  164. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +4 -4
  165. package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
  166. package/lib/commonjs/mol-canvas3d/camera/util.d.ts +4 -3
  167. package/lib/commonjs/mol-canvas3d/camera/util.js +15 -16
  168. package/lib/commonjs/mol-canvas3d/camera/util.js.map +1 -1
  169. package/lib/commonjs/mol-canvas3d/camera.d.ts +11 -3
  170. package/lib/commonjs/mol-canvas3d/camera.js +21 -1
  171. package/lib/commonjs/mol-canvas3d/camera.js.map +1 -1
  172. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +18 -8
  173. package/lib/commonjs/mol-canvas3d/canvas3d.js +11 -5
  174. package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
  175. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +2 -2
  176. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +3 -3
  177. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
  178. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
  179. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
  180. package/lib/commonjs/mol-canvas3d/helper/interaction-events.d.ts +13 -4
  181. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +43 -9
  182. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js.map +1 -1
  183. package/lib/commonjs/mol-canvas3d/passes/draw.js +1 -0
  184. package/lib/commonjs/mol-canvas3d/passes/draw.js.map +1 -1
  185. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  186. package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +5 -2
  187. package/lib/commonjs/mol-canvas3d/passes/pick.js +17 -3
  188. package/lib/commonjs/mol-canvas3d/passes/pick.js.map +1 -1
  189. package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
  190. package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
  191. package/lib/commonjs/mol-canvas3d/util.js +1 -1
  192. package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
  193. package/lib/commonjs/mol-data/db/table.js +1 -1
  194. package/lib/commonjs/mol-data/db/table.js.map +1 -1
  195. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
  196. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
  197. package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
  198. package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
  199. package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
  200. package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
  201. package/lib/commonjs/mol-data/int/tuple.js +1 -1
  202. package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
  203. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
  204. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
  205. package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -3
  206. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
  207. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +3 -3
  208. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +10 -1
  209. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
  210. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
  211. package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
  212. package/lib/commonjs/mol-geo/geometry/image/image.js.map +1 -1
  213. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -1
  214. package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
  215. package/lib/commonjs/mol-geo/geometry/lines/lines.js.map +1 -1
  216. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
  217. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
  218. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
  219. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
  220. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
  221. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
  222. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
  223. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
  224. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
  225. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -3
  226. package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
  227. package/lib/commonjs/mol-geo/geometry/points/points.js.map +1 -1
  228. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
  229. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  230. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
  231. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
  232. package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
  233. package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
  234. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
  235. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
  236. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
  237. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  238. package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
  239. package/lib/commonjs/mol-gl/_spec/cylinders.spec.d.ts +6 -0
  240. package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
  241. package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
  242. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
  243. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
  244. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
  245. package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
  246. package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
  247. package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
  248. package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
  249. package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
  250. package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
  251. package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
  252. package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
  253. package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
  254. package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
  255. package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
  256. package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
  257. package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
  258. package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
  259. package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
  260. package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
  261. package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
  262. package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
  263. package/lib/commonjs/mol-gl/_spec/renderer.spec.js +6 -44
  264. package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
  265. package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
  266. package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
  267. package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
  268. package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
  269. package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
  270. package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
  271. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
  272. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
  273. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
  274. package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
  275. package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
  276. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
  277. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
  278. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  279. package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
  280. package/lib/commonjs/mol-gl/renderer.d.ts +3 -2
  281. package/lib/commonjs/mol-gl/renderer.js +3 -0
  282. package/lib/commonjs/mol-gl/renderer.js.map +1 -1
  283. package/lib/commonjs/mol-gl/scene.js +1 -1
  284. package/lib/commonjs/mol-gl/scene.js.map +1 -1
  285. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  286. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  287. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
  288. package/lib/commonjs/mol-gl/shader/lines.vert.d.ts +1 -1
  289. package/lib/commonjs/mol-gl/shader/lines.vert.js +1 -1
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  1728. package/lib/servers/model/properties/providers/pdbe.js +5 -5
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  1730. package/lib/servers/model/property-provider.js +2 -2
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  1732. package/lib/servers/model/query.js +1 -1
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  1748. package/lib/servers/model/server/query.js +10 -10
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  1754. package/lib/servers/model/utils/fetch-props-pdbe.js +4 -4
  1755. package/lib/servers/model/utils/fetch-props-pdbe.js.map +1 -1
  1756. package/lib/servers/model/utils/writer.js +2 -2
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  1762. package/lib/servers/volume/config.js +0 -1
  1763. package/lib/servers/volume/config.js.map +1 -1
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  1797. package/CHANGELOG.md +0 -165
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  1801. package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.d.ts +0 -6
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  1806. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.d.ts +0 -37
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  1808. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.js.map +0 -1
  1809. package/lib/commonjs/mol-script/util/residue-list.d.ts +0 -7
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  1811. package/lib/commonjs/mol-script/util/residue-list.js.map +0 -1
  1812. package/lib/mol-gl/shader/chunks/wboit-params.glsl.d.ts +0 -1
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  1815. package/lib/mol-model/structure/model/properties/utils/guess-element.d.ts +0 -6
  1816. package/lib/mol-model/structure/model/properties/utils/guess-element.js +0 -36
  1817. package/lib/mol-model/structure/model/properties/utils/guess-element.js.map +0 -1
  1818. package/lib/mol-model-formats/structure/mol copy.d.ts +0 -17
  1819. package/lib/mol-model-formats/structure/mol copy.js +0 -86
  1820. package/lib/mol-model-formats/structure/mol copy.js.map +0 -1
  1821. package/lib/mol-repr/structure/visual/aromatic-ring-mesh.d.ts +0 -0
  1822. package/lib/mol-repr/structure/visual/aromatic-ring-mesh.js +0 -3
  1823. package/lib/mol-repr/structure/visual/aromatic-ring-mesh.js.map +0 -1
  1824. package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.d.ts +0 -37
  1825. package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.js +0 -112
  1826. package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.js.map +0 -1
  1827. package/lib/mol-script/util/residue-list.d.ts +0 -7
  1828. package/lib/mol-script/util/residue-list.js +0 -59
  1829. package/lib/mol-script/util/residue-list.js.map +0 -1
@@ -61,7 +61,7 @@ var ResidueSet = /** @class */ (function () {
61
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  ResidueSet.getLabel = function (entry, checkOperator) {
62
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  var _a;
63
63
  if (checkOperator === void 0) { checkOperator = false; }
64
- return entry.label_asym_id + " " + entry.label_comp_id + " " + entry.label_seq_id + ":" + entry.ins_code + ":" + entry.label_alt_id + (checkOperator ? ' ' + ((_a = entry.operator_name) !== null && _a !== void 0 ? _a : '1_555') : '');
64
+ return "".concat(entry.label_asym_id, " ").concat(entry.label_comp_id, " ").concat(entry.label_seq_id, ":").concat(entry.ins_code, ":").concat(entry.label_alt_id).concat(checkOperator ? ' ' + ((_a = entry.operator_name) !== null && _a !== void 0 ? _a : '1_555') : '');
65
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  };
66
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  ResidueSet.getEntryFromLocation = function (loc) {
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  var _a;
@@ -1 +1 @@
1
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@@ -72,7 +72,7 @@ var QueryContext = /** @class */ (function () {
72
72
  if (this.timeoutMs === 0)
73
73
  return;
74
74
  if ((0, now_1.now)() - this.timeCreated > this.timeoutMs) {
75
- throw new Error("The query took too long to execute (> " + this.timeoutMs / 1000 + "s).");
75
+ throw new Error("The query took too long to execute (> ".concat(this.timeoutMs / 1000, "s)."));
76
76
  }
77
77
  };
78
78
  QueryContext.prototype.tryGetCurrentSelection = function () {
@@ -1 +1 @@
1
- {"version":3,"file":"context.js","sourceRoot":"","sources":["../../../../../src/mol-model/structure/query/context.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,0CAAiE;AACjE,6CAA4C;AAG5C,+CAAqD;AAOrD;IA4EI,sBAAY,SAAoB,EAAE,OAA6B;QA3EvD,wBAAmB,GAAgC,EAAE,CAAC;QACtD,2BAAsB,GAAwC,EAAE,CAAC;QACjE,0BAAqB,GAAgB,EAAE,CAAC;QACxC,wBAAmB,GAAgB,EAAE,CAAC;QAEtC,gBAAW,GAAG,IAAA,SAAG,GAAE,CAAC;QAK5B,sBAAsB;QACb,YAAO,GAA8B,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QACvF,qBAAgB,GAAc,KAAK,CAAQ,CAAC;QAE5C,iCAAiC;QACxB,eAAU,GAAG,IAAI,oBAAoB,EAAe,CAAC;QAE9D,kFAAkF;QAClF,qBAAgB,GAAmC,KAAK,CAAC,CAAC;QA0DtD,IAAI,CAAC,cAAc,GAAG,SAAS,CAAC;QAChC,IAAI,CAAC,SAAS,GAAG,CAAC,OAAO,IAAI,OAAO,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC;QACrD,IAAI,CAAC,gBAAgB,GAAG,OAAO,IAAI,OAAO,CAAC,gBAAgB,CAAC;IAChE,CAAC;IA3DD,yCAAkB,GAAlB;QACI,IAAI,CAAC,mBAAmB,CAAC,IAAI,CAAC,mBAAmB,CAAC,MAAM,CAAC,GAAG,IAAI,CAAC,OAAO,CAAC;QACxE,IAAI,CAAC,OAAqC,GAAG,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QACvF,OAAO,IAAI,CAAC,OAAO,CAAC;IACxB,CAAC;IAED,wCAAiB,GAAjB;QACK,IAAI,CAAC,OAAqC,GAAG,IAAI,CAAC,mBAAmB,CAAC,GAAG,EAAG,CAAC;IAClF,CAAC;IAED,sCAAe,GAAf;QACI,IAAI,IAAI,CAAC,UAAU;YAAE,IAAI,CAAC,sBAAsB,CAAC,IAAI,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;QACtE,IAAI,CAAC,UAAgD,GAAG,IAAI,oBAAoB,EAAE,CAAC;QACpF,OAAO,IAAI,CAAC,UAAU,CAAC;IAC3B,CAAC;IAED,qCAAc,GAAd;QACI,IAAI,IAAI,CAAC,sBAAsB,CAAC,MAAM,GAAG,CAAC,EAAE;YACvC,IAAI,CAAC,UAAgD,GAAG,IAAI,CAAC,sBAAsB,CAAC,GAAG,EAAG,CAAC;SAC/F;aAAM;YACF,IAAI,CAAC,UAAkB,GAAG,KAAK,CAAC,CAAC;SACrC;IACL,CAAC;IAED,2CAAoB,GAApB;QACI,IAAI,IAAI,CAAC,gBAAgB;YAAE,IAAI,CAAC,qBAAqB,CAAC,IAAI,CAAC,IAAI,CAAC,gBAAgB,CAAC,CAAC;IACtF,CAAC;IAED,0CAAmB,GAAnB;QACI,IAAI,IAAI,CAAC,qBAAqB,CAAC,MAAM;YAAG,IAAI,CAAC,gBAA8B,GAAG,IAAI,CAAC,qBAAqB,CAAC,GAAG,EAAG,CAAC;;YAC1G,IAAI,CAAC,gBAA8B,GAAG,KAAK,CAAQ,CAAC;IAC9D,CAAC;IAED,yCAAkB,GAAlB,UAAmB,SAAoB;QACnC,IAAI,CAAC,mBAAmB,CAAC,IAAI,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;QAClD,IAAI,CAAC,cAAsB,GAAG,SAAS,CAAC;IAC7C,CAAC;IAED,wCAAiB,GAAjB;QACI,IAAI,IAAI,CAAC,mBAAmB,CAAC,MAAM,KAAK,CAAC;YAAE,MAAM,IAAI,KAAK,CAAC,uBAAuB,CAAC,CAAC;QACnF,IAAI,CAAC,cAAsB,GAAG,IAAI,CAAC,mBAAmB,CAAC,GAAG,EAAE,CAAC;IAClE,CAAC;IAED,sCAAe,GAAf;QACI,IAAI,IAAI,CAAC,SAAS,KAAK,CAAC;YAAE,OAAO;QACjC,IAAI,IAAA,SAAG,GAAE,GAAG,IAAI,CAAC,WAAW,GAAG,IAAI,CAAC,SAAS,EAAE;YAC3C,MAAM,IAAI,KAAK,CAAC,2CAAyC,IAAI,CAAC,SAAS,GAAG,IAAI,QAAK,CAAC,CAAC;SACxF;IACL,CAAC;IAED,6CAAsB,GAAtB;QACI,IAAI,CAAC,IAAI,CAAC,gBAAgB;YAAE,MAAM,IAAI,KAAK,CAAC,wCAAwC,CAAC,CAAC;QACtF,OAAO,IAAI,CAAC,gBAAgB,CAAC;IACjC,CAAC;IAOL,mBAAC;AAAD,CAAC,AAjFD,IAiFC;AAjFY,oCAAY;AA2FzB;IAAA;QACI,MAAC,GAAiC,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QAC3E,WAAM,GAA+B,CAA+B,CAAC;QACrE,MAAC,GAAiC,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QAC3E,WAAM,GAA+B,CAA+B,CAAC;QACrE,SAAI,gBAAgC;QACpC,UAAK,GAAW,CAAC,CAAC;QAEV,WAAM,GAAmB,0BAAe,CAAC;IAyCrD,CAAC;IAvCG,2CAAY,GAAZ,UAAa,CAAY;QACrB,IAAI,CAAC,CAAC,CAAC,SAAS,GAAG,CAAC,CAAC;QACrB,IAAI,CAAC,CAAC,CAAC,SAAS,GAAG,CAAC,CAAC;IACzB,CAAC;IAED,wCAAS,GAAT,UAAU,EAAmB;QACzB,IAAI,CAAC,MAAM,GAAG,EAAE,IAAI,0BAAe,CAAC;IACxC,CAAC;IAED,mCAAI,GAAJ,UAAK,GAAiB,EAAE,OAAgB;QACpC,IAAI,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC;YAAE,OAAO,IAAI,CAAC;QAClC,IAAI,OAAO,EAAE;YACT,IAAI,CAAC,IAAI,EAAE,CAAC;YACZ,OAAO,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;SAC3B;QACD,OAAO,KAAK,CAAC;IACjB,CAAC;IAEO,mCAAI,GAAZ;QACI,+BAA+B;QAC/B,uCAAuC;QACvC,yBAAyB;QAEzB,IAAM,IAAI,GAAG,IAAI,CAAC,MAAM,CAAC;QACzB,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC,MAAM,CAAC;QAC1B,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC;QAEnB,IAAM,KAAK,GAAG,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,IAAI,GAAG,KAAK,CAAC;QAEpB,IAAM,EAAE,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,OAAO,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC;QAChC,IAAI,CAAC,CAAC,CAAC,OAAO,GAAG,EAAE,CAAC;IACxB,CAAC;IAED,sBAAI,wCAAM;aAAV;YACI,OAAO,4BAAgB,CAAC,QAAQ,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,EAAE,IAAI,CAAE,CAAC,CAAC,CAAC;QAC/D,CAAC;;;OAAA;IACL,2BAAC;AAAD,CAAC,AAjDD,IAiDC"}
1
+ {"version":3,"file":"context.js","sourceRoot":"","sources":["../../../../../src/mol-model/structure/query/context.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,0CAAiE;AACjE,6CAA4C;AAG5C,+CAAqD;AAOrD;IA4EI,sBAAY,SAAoB,EAAE,OAA6B;QA3EvD,wBAAmB,GAAgC,EAAE,CAAC;QACtD,2BAAsB,GAAwC,EAAE,CAAC;QACjE,0BAAqB,GAAgB,EAAE,CAAC;QACxC,wBAAmB,GAAgB,EAAE,CAAC;QAEtC,gBAAW,GAAG,IAAA,SAAG,GAAE,CAAC;QAK5B,sBAAsB;QACb,YAAO,GAA8B,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QACvF,qBAAgB,GAAc,KAAK,CAAQ,CAAC;QAE5C,iCAAiC;QACxB,eAAU,GAAG,IAAI,oBAAoB,EAAe,CAAC;QAE9D,kFAAkF;QAClF,qBAAgB,GAAmC,KAAK,CAAC,CAAC;QA0DtD,IAAI,CAAC,cAAc,GAAG,SAAS,CAAC;QAChC,IAAI,CAAC,SAAS,GAAG,CAAC,OAAO,IAAI,OAAO,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC;QACrD,IAAI,CAAC,gBAAgB,GAAG,OAAO,IAAI,OAAO,CAAC,gBAAgB,CAAC;IAChE,CAAC;IA3DD,yCAAkB,GAAlB;QACI,IAAI,CAAC,mBAAmB,CAAC,IAAI,CAAC,mBAAmB,CAAC,MAAM,CAAC,GAAG,IAAI,CAAC,OAAO,CAAC;QACxE,IAAI,CAAC,OAAqC,GAAG,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QACvF,OAAO,IAAI,CAAC,OAAO,CAAC;IACxB,CAAC;IAED,wCAAiB,GAAjB;QACK,IAAI,CAAC,OAAqC,GAAG,IAAI,CAAC,mBAAmB,CAAC,GAAG,EAAG,CAAC;IAClF,CAAC;IAED,sCAAe,GAAf;QACI,IAAI,IAAI,CAAC,UAAU;YAAE,IAAI,CAAC,sBAAsB,CAAC,IAAI,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;QACtE,IAAI,CAAC,UAAgD,GAAG,IAAI,oBAAoB,EAAE,CAAC;QACpF,OAAO,IAAI,CAAC,UAAU,CAAC;IAC3B,CAAC;IAED,qCAAc,GAAd;QACI,IAAI,IAAI,CAAC,sBAAsB,CAAC,MAAM,GAAG,CAAC,EAAE;YACvC,IAAI,CAAC,UAAgD,GAAG,IAAI,CAAC,sBAAsB,CAAC,GAAG,EAAG,CAAC;SAC/F;aAAM;YACF,IAAI,CAAC,UAAkB,GAAG,KAAK,CAAC,CAAC;SACrC;IACL,CAAC;IAED,2CAAoB,GAApB;QACI,IAAI,IAAI,CAAC,gBAAgB;YAAE,IAAI,CAAC,qBAAqB,CAAC,IAAI,CAAC,IAAI,CAAC,gBAAgB,CAAC,CAAC;IACtF,CAAC;IAED,0CAAmB,GAAnB;QACI,IAAI,IAAI,CAAC,qBAAqB,CAAC,MAAM;YAAG,IAAI,CAAC,gBAA8B,GAAG,IAAI,CAAC,qBAAqB,CAAC,GAAG,EAAG,CAAC;;YAC1G,IAAI,CAAC,gBAA8B,GAAG,KAAK,CAAQ,CAAC;IAC9D,CAAC;IAED,yCAAkB,GAAlB,UAAmB,SAAoB;QACnC,IAAI,CAAC,mBAAmB,CAAC,IAAI,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;QAClD,IAAI,CAAC,cAAsB,GAAG,SAAS,CAAC;IAC7C,CAAC;IAED,wCAAiB,GAAjB;QACI,IAAI,IAAI,CAAC,mBAAmB,CAAC,MAAM,KAAK,CAAC;YAAE,MAAM,IAAI,KAAK,CAAC,uBAAuB,CAAC,CAAC;QACnF,IAAI,CAAC,cAAsB,GAAG,IAAI,CAAC,mBAAmB,CAAC,GAAG,EAAE,CAAC;IAClE,CAAC;IAED,sCAAe,GAAf;QACI,IAAI,IAAI,CAAC,SAAS,KAAK,CAAC;YAAE,OAAO;QACjC,IAAI,IAAA,SAAG,GAAE,GAAG,IAAI,CAAC,WAAW,GAAG,IAAI,CAAC,SAAS,EAAE;YAC3C,MAAM,IAAI,KAAK,CAAC,gDAAyC,IAAI,CAAC,SAAS,GAAG,IAAI,QAAK,CAAC,CAAC;SACxF;IACL,CAAC;IAED,6CAAsB,GAAtB;QACI,IAAI,CAAC,IAAI,CAAC,gBAAgB;YAAE,MAAM,IAAI,KAAK,CAAC,wCAAwC,CAAC,CAAC;QACtF,OAAO,IAAI,CAAC,gBAAgB,CAAC;IACjC,CAAC;IAOL,mBAAC;AAAD,CAAC,AAjFD,IAiFC;AAjFY,oCAAY;AA2FzB;IAAA;QACI,MAAC,GAAiC,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QAC3E,WAAM,GAA+B,CAA+B,CAAC;QACrE,MAAC,GAAiC,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QAC3E,WAAM,GAA+B,CAA+B,CAAC;QACrE,SAAI,gBAAgC;QACpC,UAAK,GAAW,CAAC,CAAC;QAEV,WAAM,GAAmB,0BAAe,CAAC;IAyCrD,CAAC;IAvCG,2CAAY,GAAZ,UAAa,CAAY;QACrB,IAAI,CAAC,CAAC,CAAC,SAAS,GAAG,CAAC,CAAC;QACrB,IAAI,CAAC,CAAC,CAAC,SAAS,GAAG,CAAC,CAAC;IACzB,CAAC;IAED,wCAAS,GAAT,UAAU,EAAmB;QACzB,IAAI,CAAC,MAAM,GAAG,EAAE,IAAI,0BAAe,CAAC;IACxC,CAAC;IAED,mCAAI,GAAJ,UAAK,GAAiB,EAAE,OAAgB;QACpC,IAAI,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC;YAAE,OAAO,IAAI,CAAC;QAClC,IAAI,OAAO,EAAE;YACT,IAAI,CAAC,IAAI,EAAE,CAAC;YACZ,OAAO,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;SAC3B;QACD,OAAO,KAAK,CAAC;IACjB,CAAC;IAEO,mCAAI,GAAZ;QACI,+BAA+B;QAC/B,uCAAuC;QACvC,yBAAyB;QAEzB,IAAM,IAAI,GAAG,IAAI,CAAC,MAAM,CAAC;QACzB,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC,MAAM,CAAC;QAC1B,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC;QAEnB,IAAM,KAAK,GAAG,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,IAAI,GAAG,KAAK,CAAC;QAEpB,IAAM,EAAE,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,OAAO,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC;QAChC,IAAI,CAAC,CAAC,CAAC,OAAO,GAAG,EAAE,CAAC;IACxB,CAAC;IAED,sBAAI,wCAAM;aAAV;YACI,OAAO,4BAAgB,CAAC,QAAQ,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,EAAE,IAAI,CAAE,CAAC,CAAC,CAAC;QAC/D,CAAC;;;OAAA;IACL,2BAAC;AAAD,CAAC,AAjDD,IAiDC"}
@@ -125,7 +125,7 @@ function computeCarbohydrates(structure) {
125
125
  var partialElements = [];
126
126
  var elementsWithRingMap = new Map();
127
127
  function ringElementKey(residueIndex, unitId, altId) {
128
- return residueIndex + "|" + unitId + "|" + altId;
128
+ return "".concat(residueIndex, "|").concat(unitId, "|").concat(altId);
129
129
  }
130
130
  function addRingElement(key, elementIndex) {
131
131
  if (elementsWithRingMap.has(key))
@@ -1 +1 @@
1
- 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1
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@@ -65,5 +65,6 @@ export declare namespace Loci {
65
65
  function getBoundary(loci: Loci, transform?: Mat4): Boundary;
66
66
  function toPositionsArray(loci: Loci, positions: NumberArray, offset?: number): NumberArray;
67
67
  function getPrincipalAxes(loci: Loci): PrincipalAxes;
68
+ function getPrincipalAxesMany(locis: Loci[]): PrincipalAxes;
68
69
  function toExpression(loci: Loci): Expression;
69
70
  }
@@ -415,7 +415,7 @@ exports.Loci = Loci;
415
415
  }
416
416
  Loci.extendToWholeChains = extendToWholeChains;
417
417
  function entityModelKey(location) {
418
- return location.unit.model.id + "|" + properties_1.StructureProperties.entity.id(location);
418
+ return "".concat(location.unit.model.id, "|").concat(properties_1.StructureProperties.entity.id(location));
419
419
  }
420
420
  function extendToWholeEntities(loci) {
421
421
  var elements = [];
@@ -575,6 +575,20 @@ exports.Loci = Loci;
575
575
  return principal_axes_1.PrincipalAxes.ofPositions(positions);
576
576
  }
577
577
  Loci.getPrincipalAxes = getPrincipalAxes;
578
+ function getPrincipalAxesMany(locis) {
579
+ var elementCount = 0;
580
+ locis.forEach(function (l) {
581
+ elementCount += size(l);
582
+ });
583
+ var positions = new Float32Array(3 * elementCount);
584
+ var offset = 0;
585
+ locis.forEach(function (l) {
586
+ toPositionsArray(l, positions, offset);
587
+ offset += size(l) * 3;
588
+ });
589
+ return principal_axes_1.PrincipalAxes.ofPositions(positions);
590
+ }
591
+ Loci.getPrincipalAxesMany = getPrincipalAxesMany;
578
592
  function sourceIndex(unit, element) {
579
593
  return unit_1.Unit.isAtomic(unit)
580
594
  ? unit.model.atomicHierarchy.atomSourceIndex.value(element)
@@ -617,7 +631,7 @@ exports.Loci = Loci;
617
631
  for (var i = 0, il = opData.length; i < il; ++i) {
618
632
  var d = opData[i];
619
633
  var hash = (0, util_1.hash2)((0, util_1.hashFnv32a)(d.atom.ranges), (0, util_1.hashFnv32a)(d.atom.set));
620
- var key = hash + "|" + (d.entity ? (d.entity.modelLabel + d.entity.modelIndex) : '');
634
+ var key = "".concat(hash, "|").concat(d.entity ? (d.entity.modelLabel + d.entity.modelIndex) : '');
621
635
  if (opGroups.has(key)) {
622
636
  (_a = opGroups.get(key).chain.opName).push.apply(_a, d.chain.opName);
623
637
  }
@@ -1 +1 @@
1
- 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@@ -11,7 +11,7 @@ var unit_1 = require("../unit");
11
11
  var properties_1 = require("../properties");
12
12
  function property(p) { return p; }
13
13
  exports.property = property;
14
- function _wrongUnitKind(kind) { throw new Error("Property only available for " + kind + " models."); }
14
+ function _wrongUnitKind(kind) { throw new Error("Property only available for ".concat(kind, " models.")); }
15
15
  function atomicProperty(p) {
16
16
  return property(function (l) { return unit_1.Unit.isAtomic(l.unit) ? p(l) : _wrongUnitKind('atomic'); });
17
17
  }
@@ -1 +1 @@
1
- {"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/structure/element/util.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAIH,gCAA+B;AAE/B,4CAAoD;AAWpD,SAAgB,QAAQ,CAAI,CAAc,IAAI,OAAO,CAAC,CAAC,CAAC,CAAC;AAAzD,4BAAyD;AAEzD,SAAS,cAAc,CAAC,IAAY,IAAI,MAAM,IAAI,KAAK,CAAC,iCAA+B,IAAI,aAAU,CAAC,CAAC,CAAC,CAAC;AACzG,SAAgB,cAAc,CAAI,CAAyC;IACvE,OAAO,QAAQ,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAA0B,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,QAAQ,CAAC,EAAhF,CAAgF,CAAC,CAAC;AAC3G,CAAC;AAFD,wCAEC;AAED,SAAgB,cAAc,CAAI,CAA2D;IACzF,OAAO,QAAQ,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAA4C,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,QAAQ,CAAC,EAAlG,CAAkG,CAAC,CAAC;AAC7H,CAAC;AAFD,wCAEC;AAED,SAAgB,YAAY,CAAC,CAAW;IACpC,IAAI,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE;QACvB,OAAO,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;KACzC;SAAM;QACH,6BAA6B;QAC7B,OAAO,CAAC,CAAiB,CAAC;KAC7B;AACL,CAAC;AAPD,oCAOC;AAED,SAAgB,UAAU,CAAC,CAAW;IAClC,IAAI,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE;QACvB,OAAO,CAAC,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;KACvC;SAAM;QACH,6BAA6B;QAC7B,OAAO,CAAC,CAAe,CAAC;KAC3B;AACL,CAAC;AAPD,gCAOC;AAED,SAAgB,WAAW,CAAC,CAAW;IACnC,OAAO,gCAAmB,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;AAC7C,CAAC;AAFD,kCAEC"}
1
+ {"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/structure/element/util.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAIH,gCAA+B;AAE/B,4CAAoD;AAWpD,SAAgB,QAAQ,CAAI,CAAc,IAAI,OAAO,CAAC,CAAC,CAAC,CAAC;AAAzD,4BAAyD;AAEzD,SAAS,cAAc,CAAC,IAAY,IAAI,MAAM,IAAI,KAAK,CAAC,sCAA+B,IAAI,aAAU,CAAC,CAAC,CAAC,CAAC;AACzG,SAAgB,cAAc,CAAI,CAAyC;IACvE,OAAO,QAAQ,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAA0B,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,QAAQ,CAAC,EAAhF,CAAgF,CAAC,CAAC;AAC3G,CAAC;AAFD,wCAEC;AAED,SAAgB,cAAc,CAAI,CAA2D;IACzF,OAAO,QAAQ,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAA4C,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,QAAQ,CAAC,EAAlG,CAAkG,CAAC,CAAC;AAC7H,CAAC;AAFD,wCAEC;AAED,SAAgB,YAAY,CAAC,CAAW;IACpC,IAAI,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE;QACvB,OAAO,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;KACzC;SAAM;QACH,6BAA6B;QAC7B,OAAO,CAAC,CAAiB,CAAC;KAC7B;AACL,CAAC;AAPD,oCAOC;AAED,SAAgB,UAAU,CAAC,CAAW;IAClC,IAAI,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE;QACvB,OAAO,CAAC,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;KACvC;SAAM;QACH,6BAA6B;QAC7B,OAAO,CAAC,CAAe,CAAC;KAC3B;AACL,CAAC;AAPD,gCAOC;AAED,SAAgB,WAAW,CAAC,CAAW;IACnC,OAAO,gCAAmB,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;AAC7C,CAAC;AAFD,kCAEC"}
@@ -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<"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" | "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" | "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<"sphere" | "atomistic" | "gaussian">;
72
72
  operator_name: StructureElement.Property<string>;
73
73
  model_index: StructureElement.Property<number>;
74
74
  model_label: StructureElement.Property<string>;
@@ -22,7 +22,7 @@ function notAtomic() {
22
22
  }
23
23
  function notCoarse(kind) {
24
24
  if (!!kind)
25
- throw new Error("Property only available for coarse models (" + kind + ").");
25
+ throw new Error("Property only available for coarse models (".concat(kind, ")."));
26
26
  throw new Error('Property only available for coarse models.');
27
27
  }
28
28
  // TODO: remove the type checks?
@@ -1 +1 @@
1
- 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@@ -476,7 +476,7 @@ var Structure = /** @class */ (function () {
476
476
  return this.models.indexOf(m);
477
477
  };
478
478
  Structure.prototype.remapModel = function (m) {
479
- var _a = this.state, dynamicBonds = _a.dynamicBonds, interUnitBonds = _a.interUnitBonds;
479
+ var _a = this.state, dynamicBonds = _a.dynamicBonds, interUnitBonds = _a.interUnitBonds, parent = _a.parent;
480
480
  var units = [];
481
481
  for (var _b = 0, _c = this.unitSymmetryGroups; _b < _c.length; _b++) {
482
482
  var ug = _c[_b];
@@ -488,6 +488,7 @@ var Structure = /** @class */ (function () {
488
488
  }
489
489
  }
490
490
  return Structure.create(units, {
491
+ parent: parent === null || parent === void 0 ? void 0 : parent.remapModel(m),
491
492
  label: this.label,
492
493
  interUnitBonds: dynamicBonds ? undefined : interUnitBonds,
493
494
  dynamicBonds: dynamicBonds
@@ -1227,7 +1228,7 @@ function getSerialMapping(structure) {
1227
1228
  }
1228
1229
  Structure.distance = distance;
1229
1230
  function elementDescription(s) {
1230
- return s.elementCount === 1 ? '1 element' : s.elementCount + " elements";
1231
+ return s.elementCount === 1 ? '1 element' : "".concat(s.elementCount, " elements");
1231
1232
  }
1232
1233
  Structure.elementDescription = elementDescription;
1233
1234
  function validUnitPair(s, a, b) {