molstar 2.3.5 → 2.3.9

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 (1658) 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 -94
  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 +290 -1
  12. package/lib/apps/viewer/index.html +94 -94
  13. package/lib/apps/viewer/index.js +91 -5
  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.js +2 -2
  20. package/lib/cli/chem-comp-dict/util.js.map +1 -1
  21. package/lib/cli/cif2bcif/converter.js +2 -2
  22. package/lib/cli/cif2bcif/converter.js.map +1 -1
  23. package/lib/cli/cifschema/index.js +12 -12
  24. package/lib/cli/cifschema/index.js.map +1 -1
  25. package/lib/cli/cifschema/util/cif-dic.js +19 -19
  26. package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
  27. package/lib/cli/cifschema/util/generate.js +21 -21
  28. package/lib/cli/cifschema/util/generate.js.map +1 -1
  29. package/lib/cli/cifschema/util/schema.js +1 -1
  30. package/lib/cli/cifschema/util/schema.js.map +1 -1
  31. package/lib/cli/lipid-params/index.js +3 -3
  32. package/lib/cli/lipid-params/index.js.map +1 -1
  33. package/lib/cli/state-docs/index.js +4 -4
  34. package/lib/cli/state-docs/index.js.map +1 -1
  35. package/lib/cli/state-docs/pd-to-md.js +10 -10
  36. package/lib/cli/state-docs/pd-to-md.js.map +1 -1
  37. package/lib/cli/structure-info/model.js +18 -18
  38. package/lib/cli/structure-info/model.js.map +1 -1
  39. package/lib/cli/structure-info/volume.js +1 -1
  40. package/lib/cli/structure-info/volume.js.map +1 -1
  41. package/lib/commonjs/apps/docking-viewer/index.js +1 -1
  42. package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
  43. package/lib/commonjs/apps/viewer/index.d.ts +289 -0
  44. package/lib/commonjs/apps/viewer/index.js +91 -5
  45. package/lib/commonjs/apps/viewer/index.js.map +1 -1
  46. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
  47. package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
  48. package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
  49. package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
  50. package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
  51. package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
  52. package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
  53. package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
  54. package/lib/commonjs/cli/cif2bcif/index.js +0 -0
  55. package/lib/commonjs/cli/cifschema/index.js +12 -12
  56. package/lib/commonjs/cli/cifschema/index.js.map +1 -1
  57. package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
  58. package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
  59. package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
  60. package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
  61. package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
  62. package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
  63. package/lib/commonjs/cli/lipid-params/index.js +3 -3
  64. package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
  65. package/lib/commonjs/cli/state-docs/index.js +4 -4
  66. package/lib/commonjs/cli/state-docs/index.js.map +1 -1
  67. package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
  68. package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
  69. package/lib/commonjs/cli/structure-info/model.js +18 -18
  70. package/lib/commonjs/cli/structure-info/model.js.map +1 -1
  71. package/lib/commonjs/cli/structure-info/volume.js +1 -1
  72. package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
  73. package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
  74. package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
  75. package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
  76. package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
  77. package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
  78. package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
  79. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
  80. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
  81. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
  82. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
  83. package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
  84. package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
  85. package/lib/commonjs/examples/task.js +6 -6
  86. package/lib/commonjs/examples/task.js.map +1 -1
  87. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
  88. package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
  89. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  90. package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
  91. package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
  92. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  93. package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
  94. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  95. package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
  96. package/lib/commonjs/extensions/cellpack/curve.js +2 -2
  97. package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
  98. package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
  99. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  100. package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
  101. package/lib/commonjs/extensions/cellpack/model.js +203 -65
  102. package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
  103. package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
  104. package/lib/commonjs/extensions/cellpack/preset.js +12 -15
  105. package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
  106. package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
  107. package/lib/commonjs/extensions/cellpack/property.js +1 -1
  108. package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
  109. package/lib/commonjs/extensions/cellpack/representation.js +47 -0
  110. package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
  111. package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
  112. package/lib/commonjs/extensions/cellpack/state.js +234 -27
  113. package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
  114. package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
  115. package/lib/commonjs/extensions/cellpack/util.js +34 -6
  116. package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
  117. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
  118. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
  119. package/lib/commonjs/extensions/g3d/data.js +2 -2
  120. package/lib/commonjs/extensions/g3d/data.js.map +1 -1
  121. package/lib/commonjs/extensions/g3d/model.js +2 -2
  122. package/lib/commonjs/extensions/g3d/model.js.map +1 -1
  123. package/lib/commonjs/extensions/geo-export/controls.js +2 -2
  124. package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
  125. package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
  126. package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
  127. package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
  128. package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
  129. package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
  130. package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
  131. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
  132. package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
  133. package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
  134. package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
  135. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  136. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
  137. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
  138. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
  139. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
  140. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
  141. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
  142. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
  143. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
  144. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
  145. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
  146. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
  147. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
  148. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
  149. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
  150. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
  151. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
  152. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
  153. package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
  154. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +15 -0
  155. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  156. package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
  157. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
  158. package/lib/commonjs/mol-canvas3d/canvas3d.js +3 -3
  159. package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
  160. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +2 -2
  161. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
  162. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
  163. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  164. package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
  165. package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
  166. package/lib/commonjs/mol-canvas3d/util.js +1 -1
  167. package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
  168. package/lib/commonjs/mol-data/db/table.js +1 -1
  169. package/lib/commonjs/mol-data/db/table.js.map +1 -1
  170. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
  171. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
  172. package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
  173. package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
  174. package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
  175. package/lib/commonjs/mol-data/int/tuple.js +1 -1
  176. package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
  177. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
  178. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
  179. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
  180. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
  181. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
  182. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
  183. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
  184. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
  185. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
  186. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
  187. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
  188. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
  189. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
  190. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  191. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
  192. package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
  193. package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
  194. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  195. package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
  196. package/lib/commonjs/mol-gl/_spec/cylinders.spec.d.ts +6 -0
  197. package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
  198. package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
  199. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
  200. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
  201. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
  202. package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
  203. package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
  204. package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
  205. package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
  206. package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
  207. package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
  208. package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
  209. package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
  210. package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
  211. package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
  212. package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
  213. package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
  214. package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
  215. package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
  216. package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
  217. package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
  218. package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
  219. package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
  220. package/lib/commonjs/mol-gl/_spec/renderer.spec.js +7 -45
  221. package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
  222. package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
  223. package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
  224. package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
  225. package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
  226. package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
  227. package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
  228. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
  229. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
  230. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
  231. package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
  232. package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
  233. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
  234. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
  235. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  236. package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
  237. package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
  238. package/lib/commonjs/mol-gl/scene.js +1 -1
  239. package/lib/commonjs/mol-gl/scene.js.map +1 -1
  240. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  241. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  242. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
  243. package/lib/commonjs/mol-gl/shader-code.js +8 -8
  244. package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
  245. package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
  246. package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
  247. package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
  248. package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
  249. package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
  250. package/lib/commonjs/mol-gl/webgl/context.js +6 -4
  251. package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
  252. package/lib/commonjs/mol-gl/webgl/extensions.js +5 -1
  253. package/lib/commonjs/mol-gl/webgl/extensions.js.map +1 -1
  254. package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
  255. package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
  256. package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
  257. package/lib/commonjs/mol-gl/webgl/program.js +14 -12
  258. package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
  259. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
  260. package/lib/commonjs/mol-gl/webgl/render-item.js +2 -2
  261. package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
  262. package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
  263. package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
  264. package/lib/commonjs/mol-gl/webgl/shader.js +3 -3
  265. package/lib/commonjs/mol-gl/webgl/shader.js.map +1 -1
  266. package/lib/commonjs/mol-gl/webgl/state.d.ts +4 -1
  267. package/lib/commonjs/mol-gl/webgl/state.js +25 -1
  268. package/lib/commonjs/mol-gl/webgl/state.js.map +1 -1
  269. package/lib/commonjs/mol-gl/webgl/texture.js +2 -2
  270. package/lib/commonjs/mol-gl/webgl/texture.js.map +1 -1
  271. package/lib/commonjs/mol-gl/webgl/uniform.js +2 -2
  272. package/lib/commonjs/mol-gl/webgl/uniform.js.map +1 -1
  273. package/lib/commonjs/mol-io/common/file-handle.js +1 -1
  274. package/lib/commonjs/mol-io/common/file-handle.js.map +1 -1
  275. package/lib/commonjs/mol-io/common/typed-array.js +1 -1
  276. package/lib/commonjs/mol-io/common/typed-array.js.map +1 -1
  277. package/lib/commonjs/mol-io/reader/ccp4/parser.js +1 -1
  278. package/lib/commonjs/mol-io/reader/ccp4/parser.js.map +1 -1
  279. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -1
  280. package/lib/commonjs/mol-io/reader/cif/binary/parser.js.map +1 -1
  281. package/lib/commonjs/mol-io/reader/cif/data-model.js +7 -7
  282. package/lib/commonjs/mol-io/reader/cif/data-model.js.map +1 -1
  283. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  284. package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +2 -2
  285. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +1 -1
  286. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +12 -12
  287. package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
  288. package/lib/commonjs/mol-io/reader/cif/schema.js.map +1 -1
  289. package/lib/commonjs/mol-io/reader/cif/text/parser.js +2 -2
  290. package/lib/commonjs/mol-io/reader/cif/text/parser.js.map +1 -1
  291. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
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@@ -1,17 +1,24 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ * @author Ludovic Autin <ludovic.autin@gmail.com>
5
6
  */
6
- import { __awaiter, __extends, __generator } from "tslib";
7
+ import { __assign, __awaiter, __extends, __generator } from "tslib";
7
8
  import { PluginStateObject as PSO, PluginStateTransform } from '../../mol-plugin-state/objects';
8
9
  import { ParamDefinition as PD } from '../../mol-util/param-definition';
9
10
  import { Task } from '../../mol-task';
10
11
  import { createStructureFromCellPack } from './model';
12
+ import { Asset } from '../../mol-util/assets';
11
13
  import { CellPackInfoProvider } from './property';
12
14
  import { Structure, StructureSymmetry, Model } from '../../mol-model/structure';
13
15
  import { ModelSymmetry } from '../../mol-model-formats/structure/property/symmetry';
14
- export var DefaultCellPackBaseUrl = 'https://mesoscope.scripps.edu/data/cellPACK_data/cellPACK_database_1.1.0/';
16
+ import { Vec3, Quat } from '../../mol-math/linear-algebra';
17
+ import { StateTransformer } from '../../mol-state';
18
+ import { MBRepresentation, MBParams } from './representation';
19
+ import { IsNativeEndianLittle, flipByteOrder } from '../../mol-io/common/binary';
20
+ import { getFloatValue } from './util';
21
+ export var DefaultCellPackBaseUrl = 'https://raw.githubusercontent.com/mesoscope/cellPACK_data/master/cellPACK_database_1.1.0';
15
22
  var CellPack = /** @class */ (function (_super) {
16
23
  __extends(CellPack, _super);
17
24
  function CellPack() {
@@ -25,32 +32,196 @@ var ParseCellPack = PluginStateTransform.BuiltIn({
25
32
  name: 'parse-cellpack',
26
33
  display: { name: 'Parse CellPack', description: 'Parse CellPack from JSON data' },
27
34
  from: PSO.Format.Json,
28
- to: CellPack
35
+ to: CellPack,
36
+ params: function (a) {
37
+ return {
38
+ resultsFile: PD.File({ accept: '.bin' }),
39
+ baseUrl: PD.Text(DefaultCellPackBaseUrl)
40
+ };
41
+ }
29
42
  })({
30
- apply: function (_a) {
43
+ apply: function (_a, plugin) {
31
44
  var _this = this;
32
- var a = _a.a;
45
+ var a = _a.a, params = _a.params, cache = _a.cache;
33
46
  return Task.create('Parse CellPack', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
34
- var cell, packings, compartments, cytoplasme, name_1, _a, surface, interior;
47
+ var cell, counter_id, fiber_counter_id, comp_counter, packings, compartments, cytoplasme, iName, name_1, _a, surface, interior, filename, compartment, iName, iName, options, resultsAsset, url, results, buffer, numbers, ninst, npoints, ncurve, offset, pos, quat, i, x, y, z, ingr_id, pid, ctr_pos, ctr_info, curve_ids, counter, ctr_points, prev_ctype, prev_cid, i, x, y, z, cid, ctype, pid_1, cname_1, pid_2, cname_2, pid, cname;
35
48
  return __generator(this, function (_b) {
36
- cell = a.data;
37
- packings = [];
38
- compartments = cell.compartments, cytoplasme = cell.cytoplasme;
39
- if (compartments) {
40
- for (name_1 in compartments) {
41
- _a = compartments[name_1], surface = _a.surface, interior = _a.interior;
42
- if (surface)
43
- packings.push({ name: name_1, location: 'surface', ingredients: surface.ingredients });
44
- if (interior)
45
- packings.push({ name: name_1, location: 'interior', ingredients: interior.ingredients });
46
- }
49
+ switch (_b.label) {
50
+ case 0:
51
+ cell = a.data;
52
+ counter_id = 0;
53
+ fiber_counter_id = 0;
54
+ comp_counter = 0;
55
+ packings = [];
56
+ compartments = cell.compartments, cytoplasme = cell.cytoplasme;
57
+ if (!cell.mapping_ids)
58
+ cell.mapping_ids = {};
59
+ if (cytoplasme) {
60
+ packings.push({ name: 'Cytoplasme', location: 'cytoplasme', ingredients: cytoplasme.ingredients });
61
+ for (iName in cytoplasme.ingredients) {
62
+ if (cytoplasme.ingredients[iName].ingtype === 'fiber') {
63
+ cell.mapping_ids[-(fiber_counter_id + 1)] = [comp_counter, iName];
64
+ if (!cytoplasme.ingredients[iName].nbCurve)
65
+ cytoplasme.ingredients[iName].nbCurve = 0;
66
+ fiber_counter_id++;
67
+ }
68
+ else {
69
+ cell.mapping_ids[counter_id] = [comp_counter, iName];
70
+ if (!cytoplasme.ingredients[iName].results) {
71
+ cytoplasme.ingredients[iName].results = [];
72
+ }
73
+ counter_id++;
74
+ }
75
+ }
76
+ comp_counter++;
77
+ }
78
+ if (compartments) {
79
+ for (name_1 in compartments) {
80
+ _a = compartments[name_1], surface = _a.surface, interior = _a.interior;
81
+ filename = '';
82
+ if (compartments[name_1].geom_type === 'file') {
83
+ filename = (compartments[name_1].geom) ? compartments[name_1].geom : '';
84
+ }
85
+ compartment = { filename: filename, geom_type: compartments[name_1].geom_type, compartment_primitives: compartments[name_1].mb };
86
+ if (surface) {
87
+ packings.push({ name: name_1, location: 'surface', ingredients: surface.ingredients, compartment: compartment });
88
+ for (iName in surface.ingredients) {
89
+ if (surface.ingredients[iName].ingtype === 'fiber') {
90
+ cell.mapping_ids[-(fiber_counter_id + 1)] = [comp_counter, iName];
91
+ if (!surface.ingredients[iName].nbCurve)
92
+ surface.ingredients[iName].nbCurve = 0;
93
+ fiber_counter_id++;
94
+ }
95
+ else {
96
+ cell.mapping_ids[counter_id] = [comp_counter, iName];
97
+ if (!surface.ingredients[iName].results) {
98
+ surface.ingredients[iName].results = [];
99
+ }
100
+ counter_id++;
101
+ }
102
+ }
103
+ comp_counter++;
104
+ }
105
+ if (interior) {
106
+ if (!surface)
107
+ packings.push({ name: name_1, location: 'interior', ingredients: interior.ingredients, compartment: compartment });
108
+ else
109
+ packings.push({ name: name_1, location: 'interior', ingredients: interior.ingredients });
110
+ for (iName in interior.ingredients) {
111
+ if (interior.ingredients[iName].ingtype === 'fiber') {
112
+ cell.mapping_ids[-(fiber_counter_id + 1)] = [comp_counter, iName];
113
+ if (!interior.ingredients[iName].nbCurve)
114
+ interior.ingredients[iName].nbCurve = 0;
115
+ fiber_counter_id++;
116
+ }
117
+ else {
118
+ cell.mapping_ids[counter_id] = [comp_counter, iName];
119
+ if (!interior.ingredients[iName].results) {
120
+ interior.ingredients[iName].results = [];
121
+ }
122
+ counter_id++;
123
+ }
124
+ }
125
+ comp_counter++;
126
+ }
127
+ }
128
+ }
129
+ options = cell.options;
130
+ if (!params.resultsFile) return [3 /*break*/, 2];
131
+ return [4 /*yield*/, plugin.runTask(plugin.managers.asset.resolve(params.resultsFile, 'binary', true))];
132
+ case 1:
133
+ resultsAsset = _b.sent();
134
+ return [3 /*break*/, 4];
135
+ case 2:
136
+ if (!(options === null || options === void 0 ? void 0 : options.resultfile)) return [3 /*break*/, 4];
137
+ url = "".concat(params.baseUrl, "/results/").concat(options.resultfile);
138
+ return [4 /*yield*/, plugin.runTask(plugin.managers.asset.resolve(Asset.getUrlAsset(plugin.managers.asset, url), 'binary', true))];
139
+ case 3:
140
+ resultsAsset = _b.sent();
141
+ _b.label = 4;
142
+ case 4:
143
+ if (resultsAsset) {
144
+ cache.asset = resultsAsset;
145
+ results = resultsAsset.data;
146
+ buffer = IsNativeEndianLittle ? results.buffer : flipByteOrder(results, 4);
147
+ numbers = new DataView(buffer);
148
+ ninst = getFloatValue(numbers, 0);
149
+ npoints = getFloatValue(numbers, 4);
150
+ ncurve = getFloatValue(numbers, 8);
151
+ offset = 12;
152
+ if (ninst !== 0) {
153
+ pos = new Float32Array(buffer, offset, ninst * 4);
154
+ offset += ninst * 4 * 4;
155
+ quat = new Float32Array(buffer, offset, ninst * 4);
156
+ offset += ninst * 4 * 4;
157
+ for (i = 0; i < ninst; i++) {
158
+ x = pos[i * 4 + 0];
159
+ y = pos[i * 4 + 1];
160
+ z = pos[i * 4 + 2];
161
+ ingr_id = pos[i * 4 + 3];
162
+ pid = cell.mapping_ids[ingr_id];
163
+ if (!packings[pid[0]].ingredients[pid[1]].results) {
164
+ packings[pid[0]].ingredients[pid[1]].results = [];
165
+ }
166
+ packings[pid[0]].ingredients[pid[1]].results.push([Vec3.create(x, y, z),
167
+ Quat.create(quat[i * 4 + 0], quat[i * 4 + 1], quat[i * 4 + 2], quat[i * 4 + 3])]);
168
+ }
169
+ }
170
+ if (npoints !== 0) {
171
+ ctr_pos = new Float32Array(buffer, offset, npoints * 4);
172
+ offset += npoints * 4 * 4;
173
+ offset += npoints * 4 * 4;
174
+ ctr_info = new Float32Array(buffer, offset, npoints * 4);
175
+ offset += npoints * 4 * 4;
176
+ curve_ids = new Float32Array(buffer, offset, ncurve * 4);
177
+ offset += ncurve * 4 * 4;
178
+ counter = 0;
179
+ ctr_points = [];
180
+ prev_ctype = 0;
181
+ prev_cid = 0;
182
+ for (i = 0; i < npoints; i++) {
183
+ x = -ctr_pos[i * 4 + 0];
184
+ y = ctr_pos[i * 4 + 1];
185
+ z = ctr_pos[i * 4 + 2];
186
+ cid = ctr_info[i * 4 + 0];
187
+ ctype = curve_ids[cid * 4 + 0];
188
+ // cid 148 165 -1 0
189
+ // console.log("cid ",cid,ctype,prev_cid,prev_ctype);//165,148
190
+ if (prev_ctype !== ctype) {
191
+ pid_1 = cell.mapping_ids[-prev_ctype - 1];
192
+ cname_1 = "curve".concat(counter);
193
+ packings[pid_1[0]].ingredients[pid_1[1]].nbCurve = counter + 1;
194
+ packings[pid_1[0]].ingredients[pid_1[1]][cname_1] = ctr_points;
195
+ ctr_points = [];
196
+ counter = 0;
197
+ }
198
+ else if (prev_cid !== cid) {
199
+ ctr_points = [];
200
+ pid_2 = cell.mapping_ids[-prev_ctype - 1];
201
+ cname_2 = "curve".concat(counter);
202
+ packings[pid_2[0]].ingredients[pid_2[1]][cname_2] = ctr_points;
203
+ counter += 1;
204
+ }
205
+ ctr_points.push(Vec3.create(x, y, z));
206
+ prev_ctype = ctype;
207
+ prev_cid = cid;
208
+ }
209
+ pid = cell.mapping_ids[-prev_ctype - 1];
210
+ cname = "curve".concat(counter);
211
+ packings[pid[0]].ingredients[pid[1]].nbCurve = counter + 1;
212
+ packings[pid[0]].ingredients[pid[1]][cname] = ctr_points;
213
+ }
214
+ }
215
+ return [2 /*return*/, new CellPack({ cell: cell, packings: packings })];
47
216
  }
48
- if (cytoplasme)
49
- packings.push({ name: 'Cytoplasme', location: 'cytoplasme', ingredients: cytoplasme.ingredients });
50
- return [2 /*return*/, new CellPack({ cell: cell, packings: packings })];
51
217
  });
52
218
  }); });
53
- }
219
+ },
220
+ dispose: function (_a) {
221
+ var _b, _c;
222
+ var cache = _a.cache;
223
+ (_c = (_b = cache) === null || _b === void 0 ? void 0 : _b.asset) === null || _c === void 0 ? void 0 : _c.dispose();
224
+ },
54
225
  });
55
226
  export { StructureFromCellpack };
56
227
  var StructureFromCellpack = PluginStateTransform.BuiltIn({
@@ -92,7 +263,7 @@ var StructureFromCellpack = PluginStateTransform.BuiltIn({
92
263
  case 2:
93
264
  _c.sent();
94
265
  cache.assets = assets;
95
- return [2 /*return*/, new PSO.Molecule.Structure(structure, { label: packing.name })];
266
+ return [2 /*return*/, new PSO.Molecule.Structure(structure, { label: packing.name + '.' + packing.location })];
96
267
  }
97
268
  });
98
269
  }); });
@@ -155,7 +326,7 @@ var StructureFromAssemblies = PluginStateTransform.BuiltIn({
155
326
  _i++;
156
327
  return [3 /*break*/, 1];
157
328
  case 4:
158
- builder = Structure.Builder();
329
+ builder = Structure.Builder({ label: 'Membrane' });
159
330
  offsetInvariantId = 0;
160
331
  for (_b = 0, structures_1 = structures; _b < structures_1.length; _b++) {
161
332
  s = structures_1[_b];
@@ -174,7 +345,7 @@ var StructureFromAssemblies = PluginStateTransform.BuiltIn({
174
345
  Model.TrajectoryInfo.set(structure.models[i], { size: il, index: i });
175
346
  }
176
347
  _e.label = 5;
177
- case 5: return [2 /*return*/, new PSO.Molecule.Structure(structure, { label: a.label, description: "" + a.description })];
348
+ case 5: return [2 /*return*/, new PSO.Molecule.Structure(structure, { label: a.label, description: "".concat(a.description) })];
178
349
  }
179
350
  });
180
351
  }); });
@@ -184,4 +355,40 @@ var StructureFromAssemblies = PluginStateTransform.BuiltIn({
184
355
  b === null || b === void 0 ? void 0 : b.data.customPropertyDescriptors.dispose();
185
356
  }
186
357
  });
358
+ var CreateTransformer = StateTransformer.builderFactory('cellPACK');
359
+ export var CreateCompartmentSphere = CreateTransformer({
360
+ name: 'create-compartment-sphere',
361
+ display: 'CompartmentSphere',
362
+ from: PSO.Root,
363
+ to: PSO.Shape.Representation3D,
364
+ params: {
365
+ center: PD.Vec3(Vec3()),
366
+ radius: PD.Numeric(1),
367
+ label: PD.Text("Compartment Sphere")
368
+ }
369
+ })({
370
+ canAutoUpdate: function (_a) {
371
+ var oldParams = _a.oldParams, newParams = _a.newParams;
372
+ return true;
373
+ },
374
+ apply: function (_a, plugin) {
375
+ var _this = this;
376
+ var a = _a.a, params = _a.params;
377
+ return Task.create('Compartment Sphere', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
378
+ var data, repr;
379
+ var _a;
380
+ return __generator(this, function (_b) {
381
+ switch (_b.label) {
382
+ case 0:
383
+ data = params;
384
+ repr = MBRepresentation(__assign({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return (MBParams); });
385
+ return [4 /*yield*/, repr.createOrUpdate(__assign(__assign({}, params), { quality: 'custom', xrayShaded: true, doubleSided: true }), data).runInContext(ctx)];
386
+ case 1:
387
+ _b.sent();
388
+ return [2 /*return*/, new PSO.Shape.Representation3D({ repr: repr, sourceData: a }, { label: data.label })];
389
+ }
390
+ });
391
+ }); });
392
+ }
393
+ });
187
394
  //# sourceMappingURL=state.js.map
@@ -1 +1 @@
1
- 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1
+ 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@@ -1,7 +1,8 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ * @author Ludovic Autin <ludovic.autin@gmail.com>
5
6
  */
6
7
  import { AssetManager, Asset } from '../../mol-util/assets';
7
8
  import { Structure } from '../../mol-model/structure';
@@ -28,3 +29,4 @@ export declare type IngredientFiles = {
28
29
  [name: string]: Asset.File;
29
30
  };
30
31
  export declare function getStructureMean(structure: Structure): Vec3;
32
+ export declare function getFloatValue(value: DataView, offset: number): number;
@@ -1,7 +1,8 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ * @author Ludovic Autin <ludovic.autin@gmail.com>
5
6
  */
6
7
  import { __awaiter, __generator } from "tslib";
7
8
  import { CIF } from '../../mol-io/reader/cif';
@@ -81,7 +82,7 @@ export function getFromPdb(plugin, pdbId, assetManager) {
81
82
  var _a, cif, asset;
82
83
  return __generator(this, function (_b) {
83
84
  switch (_b.label) {
84
- case 0: return [4 /*yield*/, downloadCif(plugin, "https://models.rcsb.org/" + pdbId.toUpperCase() + ".bcif", true, assetManager)];
85
+ case 0: return [4 /*yield*/, downloadCif(plugin, "https://models.rcsb.org/".concat(pdbId, ".bcif"), true, assetManager)];
85
86
  case 1:
86
87
  _a = _b.sent(), cif = _a.cif, asset = _a.asset;
87
88
  return [2 /*return*/, { mmcif: cif.blocks[0], asset: asset }];
@@ -95,7 +96,7 @@ export function getFromOPM(plugin, pdbId, assetManager) {
95
96
  var _a;
96
97
  return __generator(this, function (_b) {
97
98
  switch (_b.label) {
98
- case 0: return [4 /*yield*/, plugin.runTask(assetManager.resolve(Asset.getUrlAsset(assetManager, "https://opm-assets.storage.googleapis.com/pdb/" + pdbId.toLowerCase() + ".pdb"), 'string'))];
99
+ case 0: return [4 /*yield*/, plugin.runTask(assetManager.resolve(Asset.getUrlAsset(assetManager, "https://opm-assets.storage.googleapis.com/pdb/".concat(pdbId.toLowerCase(), ".pdb")), 'string'))];
99
100
  case 1:
100
101
  asset = _b.sent();
101
102
  _a = {};
@@ -113,13 +114,13 @@ export function getFromCellPackDB(plugin, id, baseUrl, assetManager) {
113
114
  case 0:
114
115
  if (!(id.toLowerCase().endsWith('.cif') || id.toLowerCase().endsWith('.bcif'))) return [3 /*break*/, 2];
115
116
  isBinary = id.toLowerCase().endsWith('.bcif');
116
- return [4 /*yield*/, downloadCif(plugin, baseUrl + "/other/" + id, isBinary, assetManager)];
117
+ return [4 /*yield*/, downloadCif(plugin, "".concat(baseUrl, "/other/").concat(id), isBinary, assetManager)];
117
118
  case 1:
118
119
  _a = _b.sent(), cif = _a.cif, asset = _a.asset;
119
120
  return [2 /*return*/, { mmcif: cif.blocks[0], asset: asset }];
120
121
  case 2:
121
122
  name_1 = id.endsWith('.pdb') ? id.substring(0, id.length - 4) : id;
122
- return [4 /*yield*/, downloadPDB(plugin, baseUrl + "/other/" + name_1 + ".pdb", name_1, assetManager)];
123
+ return [4 /*yield*/, downloadPDB(plugin, "".concat(baseUrl, "/other/").concat(name_1, ".pdb"), name_1, assetManager)];
123
124
  case 3: return [2 /*return*/, _b.sent()];
124
125
  }
125
126
  });
@@ -141,4 +142,30 @@ export function getStructureMean(structure) {
141
142
  var elementCount = structure.elementCount;
142
143
  return Vec3.create(xSum / elementCount, ySum / elementCount, zSum / elementCount);
143
144
  }
145
+ export function getFloatValue(value, offset) {
146
+ // if the last byte is a negative value (MSB is 1), the final
147
+ // float should be too
148
+ var negative = value.getInt8(offset + 2) >>> 31;
149
+ // this is how the bytes are arranged in the byte array/DataView
150
+ // buffer
151
+ var _a = [
152
+ // get first three bytes as unsigned since we only care
153
+ // about the last 8 bits of 32-bit js number returned by
154
+ // getUint8().
155
+ // Should be the same as: getInt8(offset) & -1 >>> 24
156
+ value.getUint8(offset),
157
+ value.getUint8(offset + 1),
158
+ value.getUint8(offset + 2),
159
+ // get the last byte, which is the exponent, as a signed int
160
+ // since it's already correct
161
+ value.getInt8(offset + 3)
162
+ ], b0 = _a[0], b1 = _a[1], b2 = _a[2], exponent = _a[3];
163
+ var mantissa = b0 | (b1 << 8) | (b2 << 16);
164
+ if (negative) {
165
+ // need to set the most significant 8 bits to 1's since a js
166
+ // number is 32 bits but our mantissa is only 24.
167
+ mantissa |= 255 << 24;
168
+ }
169
+ return mantissa * Math.pow(10, exponent);
170
+ }
144
171
  //# sourceMappingURL=util.js.map
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"util.js","sourceRoot":"","sources":["../../../src/extensions/cellpack/util.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;;AAEH,OAAO,EAAE,GAAG,EAAE,MAAM,yBAAyB,CAAC;AAC9C,OAAO,EAAE,QAAQ,EAAE,MAAM,gCAAgC,CAAC;AAC1D,OAAO,EAAgB,KAAK,EAAE,MAAM,uBAAuB,CAAC;AAE5D,OAAO,EAAE,IAAI,EAAE,MAAM,+BAA+B,CAAC;AAGrD,MAAM,UAAgB,QAAQ,CAAC,MAAqB,EAAE,IAAyB;;;;;;oBACrE,IAAI,GAAG,GAAG,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;oBACd,qBAAM,MAAM,CAAC,OAAO,CAAC,IAAI,CAAC,EAAA;;oBAAnC,MAAM,GAAG,SAA0B;oBACzC,IAAI,MAAM,CAAC,OAAO;wBAAE,MAAM,MAAM,CAAC;oBACjC,sBAAO,MAAM,CAAC,MAAM,EAAC;;;;CACxB;AAED,MAAM,UAAgB,YAAY,CAAC,MAAqB,EAAE,IAAY,EAAE,EAAU;;;;;;oBACxE,IAAI,GAAG,QAAQ,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC;oBACjB,qBAAM,MAAM,CAAC,OAAO,CAAC,IAAI,CAAC,EAAA;;oBAAnC,MAAM,GAAG,SAA0B;oBACzC,IAAI,MAAM,CAAC,OAAO;wBAAE,MAAM,MAAM,CAAC;oBACjC,sBAAO,MAAM,CAAC,MAAM,EAAC;;;;CACxB;AAED,SAAe,WAAW,CAAC,MAAqB,EAAE,GAAW,EAAE,QAAiB,EAAE,YAA0B;;;;;;;oBAClG,IAAI,GAAG,QAAQ,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,QAAQ,CAAC;oBAC9B,qBAAM,MAAM,CAAC,OAAO,CAAC,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,WAAW,CAAC,YAAY,EAAE,GAAG,CAAC,EAAE,IAAI,CAAC,CAAC,EAAA;;oBAA9F,KAAK,GAAG,SAAsF;;oBACtF,qBAAM,QAAQ,CAAC,MAAM,EAAE,KAAK,CAAC,IAAI,CAAC,EAAA;wBAAhD,uBAAS,MAAG,GAAE,SAAkC,EAAE,QAAK,QAAA,OAAG;;;;CAC7D;AAED,SAAe,WAAW,CAAC,MAAqB,EAAE,GAAW,EAAE,EAAU,EAAE,YAA0B;;;;;;wBACnF,qBAAM,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,WAAW,CAAC,YAAY,EAAE,GAAG,CAAC,EAAE,QAAQ,CAAC,CAAC,GAAG,EAAE,EAAA;;oBAAxF,KAAK,GAAG,SAAgF;;oBAChF,qBAAM,YAAY,CAAC,MAAM,EAAE,KAAK,CAAC,IAAI,EAAE,EAAE,CAAC,EAAA;wBAAxD,uBAAS,MAAG,GAAE,SAA0C,EAAE,QAAK,QAAA,OAAG;;;;CACrE;AAED,MAAM,UAAgB,UAAU,CAAC,MAAqB,EAAE,KAAa,EAAE,YAA0B;;;;;wBACtE,qBAAM,WAAW,CAAC,MAAM,EAAE,kCAA2B,KAAK,UAAO,EAAE,IAAI,EAAE,YAAY,CAAC,EAAA;;oBAAvG,KAAiB,SAAsF,EAArG,GAAG,SAAA,EAAE,KAAK,WAAA;oBAClB,sBAAO,EAAE,KAAK,EAAE,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,KAAK,OAAA,EAAE,EAAC;;;;CAC1C;AAED,MAAM,UAAgB,UAAU,CAAC,MAAqB,EAAE,KAAa,EAAE,YAA0B;;;;;;wBAC/E,qBAAM,MAAM,CAAC,OAAO,CAAC,YAAY,CAAC,OAAO,CAAC,KAAK,CAAC,WAAW,CAAC,YAAY,EAAE,wDAAiD,KAAK,CAAC,WAAW,EAAE,SAAM,CAAC,EAAE,QAAQ,CAAC,CAAC,EAAA;;oBAAzK,KAAK,GAAG,SAAiK;;oBACjK,qBAAM,YAAY,CAAC,MAAM,EAAE,KAAK,CAAC,IAAI,EAAE,KAAK,CAAC,EAAA;wBAA3D,uBAAS,MAAG,GAAE,SAA6C,EAAE,QAAK,QAAA,OAAG;;;;CACxE;AAED,MAAM,UAAgB,iBAAiB,CAAC,MAAqB,EAAE,EAAU,EAAE,OAAe,EAAE,YAA0B;;;;;;yBAC9G,CAAA,EAAE,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,IAAI,EAAE,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAA,EAAvE,wBAAuE;oBACjE,QAAQ,GAAG,EAAE,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC;oBAC7B,qBAAM,WAAW,CAAC,MAAM,EAAE,UAAG,OAAO,oBAAU,EAAE,CAAE,EAAE,QAAQ,EAAE,YAAY,CAAC,EAAA;;oBAA5F,KAAiB,SAA2E,EAA1F,GAAG,SAAA,EAAE,KAAK,WAAA;oBAClB,sBAAO,EAAE,KAAK,EAAE,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,KAAK,OAAA,EAAE,EAAC;;oBAEjC,SAAO,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC;oBAChE,qBAAM,WAAW,CAAC,MAAM,EAAE,UAAG,OAAO,oBAAU,MAAI,SAAM,EAAE,MAAI,EAAE,YAAY,CAAC,EAAA;wBAApF,sBAAO,SAA6E,EAAC;;;;CAE5F;AAID,MAAM,UAAU,gBAAgB,CAAC,SAAoB;IACjD,IAAI,IAAI,GAAG,CAAC,EAAE,IAAI,GAAG,CAAC,EAAE,IAAI,GAAG,CAAC,CAAC;IACjC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,KAAK,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QACtD,IAAM,IAAI,GAAG,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QACxB,IAAA,QAAQ,GAAK,IAAI,SAAT,CAAU;QACpB,IAAA,KAAc,IAAI,CAAC,YAAY,EAA7B,CAAC,OAAA,EAAE,CAAC,OAAA,EAAE,CAAC,OAAsB,CAAC;QACtC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAC/C,IAAM,EAAE,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;YACvB,IAAI,IAAI,CAAC,CAAC,EAAE,CAAC,CAAC;YACd,IAAI,IAAI,CAAC,CAAC,EAAE,CAAC,CAAC;YACd,IAAI,IAAI,CAAC,CAAC,EAAE,CAAC,CAAC;SACjB;KACJ;IACO,IAAA,YAAY,GAAK,SAAS,aAAd,CAAe;IACnC,OAAO,IAAI,CAAC,MAAM,CAAC,IAAI,GAAG,YAAY,EAAE,IAAI,GAAG,YAAY,EAAE,IAAI,GAAG,YAAY,CAAC,CAAC;AACtF,CAAC;AAED,MAAM,UAAU,aAAa,CAAC,KAAe,EAAE,MAAc;IACzD,6DAA6D;IAC7D,sBAAsB;IACtB,IAAM,QAAQ,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,GAAG,CAAC,CAAC,KAAK,EAAE,CAAC;IAElD,gEAAgE;IAChE,SAAS;IACH,IAAA,KAAyB;QAC3B,uDAAuD;QACvD,wDAAwD;QACxD,cAAc;QACd,qDAAqD;QACrD,KAAK,CAAC,QAAQ,CAAC,MAAM,CAAC;QACtB,KAAK,CAAC,QAAQ,CAAC,MAAM,GAAG,CAAC,CAAC;QAC1B,KAAK,CAAC,QAAQ,CAAC,MAAM,GAAG,CAAC,CAAC;QAE1B,4DAA4D;QAC5D,6BAA6B;QAC7B,KAAK,CAAC,OAAO,CAAC,MAAM,GAAG,CAAC,CAAC;KAC5B,EAZM,EAAE,QAAA,EAAE,EAAE,QAAA,EAAE,EAAE,QAAA,EAAE,QAAQ,QAY1B,CAAC;IAEF,IAAI,QAAQ,GAAG,EAAE,GAAG,CAAC,EAAE,IAAI,CAAC,CAAC,GAAG,CAAC,EAAE,IAAI,EAAE,CAAC,CAAC;IAC3C,IAAI,QAAQ,EAAE;QACV,4DAA4D;QAC5D,iDAAiD;QACjD,QAAQ,IAAI,GAAG,IAAI,EAAE,CAAC;KACzB;IAED,OAAO,QAAQ,GAAG,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,QAAQ,CAAC,CAAC;AAC7C,CAAC"}
@@ -10,7 +10,7 @@ import { StructureRepresentation, StructureRepresentationProvider } from '../../
10
10
  import { ParamDefinition as PD } from '../../../mol-util/param-definition';
11
11
  import { ThemeRegistryContext } from '../../../mol-theme/theme';
12
12
  export declare const ConfalPyramidsParams: {
13
- unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
13
+ unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
14
14
  includeParent: PD.BooleanParam;
15
15
  doubleSided: PD.BooleanParam;
16
16
  flipSided: PD.BooleanParam;
@@ -22,7 +22,7 @@ export declare const ConfalPyramidsParams: {
22
22
  };
23
23
  export declare type ConfalPyramidsParams = typeof ConfalPyramidsParams;
24
24
  export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, structure: Structure): {
25
- unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
25
+ unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
26
26
  includeParent: PD.BooleanParam;
27
27
  doubleSided: PD.BooleanParam;
28
28
  flipSided: PD.BooleanParam;
@@ -35,7 +35,7 @@ export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, struc
35
35
  export declare type ConfalPyramidsRepresentation = StructureRepresentation<ConfalPyramidsParams>;
36
36
  export declare function ConfalPyramidsRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, ConfalPyramidsParams>): ConfalPyramidsRepresentation;
37
37
  export declare const ConfalPyramidsRepresentationProvider: StructureRepresentationProvider<{
38
- unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
38
+ unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
39
39
  includeParent: PD.BooleanParam;
40
40
  doubleSided: PD.BooleanParam;
41
41
  flipSided: PD.BooleanParam;
@@ -65,12 +65,12 @@ export var ConfalPyramidsUtil;
65
65
  Utility.prototype.stepToName = function (entry_id, modelNum, locFirst, locSecond, fakeAltId_1, fakeAltId_2) {
66
66
  var first = residueInfoFromLocation(locFirst);
67
67
  var second = residueInfoFromLocation(locSecond);
68
- var model_id = this.hasMultipleModels ? "-m" + modelNum : '';
69
- var alt_id_1 = fakeAltId_1 !== '' ? "." + fakeAltId_1 : (first.alt_id.length ? "." + first.alt_id : '');
70
- var alt_id_2 = fakeAltId_2 !== '' ? "." + fakeAltId_2 : (second.alt_id.length ? "." + second.alt_id : '');
71
- var ins_code_1 = first.ins_code.length ? "." + first.ins_code : '';
72
- var ins_code_2 = second.ins_code.length ? "." + second.ins_code : '';
73
- return "" + entry_id + model_id + "_" + first.auth_asym_id + "_" + first.comp_id + alt_id_1 + "_" + first.auth_seq_id + ins_code_1 + "_" + second.comp_id + alt_id_2 + "_" + second.auth_seq_id + ins_code_2;
68
+ var model_id = this.hasMultipleModels ? "-m".concat(modelNum) : '';
69
+ var alt_id_1 = fakeAltId_1 !== '' ? ".".concat(fakeAltId_1) : (first.alt_id.length ? ".".concat(first.alt_id) : '');
70
+ var alt_id_2 = fakeAltId_2 !== '' ? ".".concat(fakeAltId_2) : (second.alt_id.length ? ".".concat(second.alt_id) : '');
71
+ var ins_code_1 = first.ins_code.length ? ".".concat(first.ins_code) : '';
72
+ var ins_code_2 = second.ins_code.length ? ".".concat(second.ins_code) : '';
73
+ return "".concat(entry_id).concat(model_id, "_").concat(first.auth_asym_id, "_").concat(first.comp_id).concat(alt_id_1, "_").concat(first.auth_seq_id).concat(ins_code_1, "_").concat(second.comp_id).concat(alt_id_2, "_").concat(second.auth_seq_id).concat(ins_code_2);
74
74
  };
75
75
  return Utility;
76
76
  }());
@@ -97,7 +97,7 @@ export var ConfalPyramidsUtil;
97
97
  indices.push(eI);
98
98
  }
99
99
  if (indices.length === 0)
100
- throw new Error("Element " + name + " not found on residue " + residue.index);
100
+ throw new Error("Element ".concat(name, " not found on residue ").concat(residue.index));
101
101
  return indices;
102
102
  };
103
103
  UnitWalker.prototype.getAtomPositions = function (indices) {
@@ -1 +1 @@
1
- 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1
+ 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@@ -34,7 +34,7 @@ export function getG3dDataBlock(ctx, header, urlOrData, resolution) {
34
34
  switch (_a.label) {
35
35
  case 0:
36
36
  if (!header.offsets[resolution])
37
- throw new Error("Resolution " + resolution + " not available.");
37
+ throw new Error("Resolution ".concat(resolution, " not available."));
38
38
  return [4 /*yield*/, getRawData(ctx, urlOrData, header.offsets[resolution])];
39
39
  case 1:
40
40
  data = _a.sent();
@@ -56,7 +56,7 @@ function getRawData(ctx, urlOrData, range) {
56
56
  switch (_a.label) {
57
57
  case 0:
58
58
  if (!(typeof urlOrData === 'string')) return [3 /*break*/, 2];
59
- return [4 /*yield*/, ctx.runTask(ctx.fetch({ url: urlOrData, headers: [['Range', "bytes=" + range.offset + "-" + (range.offset + range.size - 1)]], type: 'binary' }))];
59
+ return [4 /*yield*/, ctx.runTask(ctx.fetch({ url: urlOrData, headers: [['Range', "bytes=".concat(range.offset, "-").concat(range.offset + range.size - 1)]], type: 'binary' }))];
60
60
  case 1: return [2 /*return*/, _a.sent()];
61
61
  case 2: return [2 /*return*/, urlOrData.slice(range.offset, range.offset + range.size)];
62
62
  }
@@ -1 +1 @@
1
- {"version":3,"file":"data.js","sourceRoot":"","sources":["../../../src/extensions/g3d/data.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAEH,OAAO,EAAE,aAAa,EAAE,MAAM,oCAAoC,CAAC;AAEnE,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AA0BjD,IAAM,WAAW,GAAG,KAAK,CAAC;AAE1B,MAAM,UAAgB,YAAY,CAAC,GAAkB,EAAE,SAA8B;;;;;wBACxD,qBAAM,UAAU,CAAC,GAAG,EAAE,SAAS,EAAE,EAAE,MAAM,EAAE,CAAC,EAAE,IAAI,EAAE,WAAW,EAAE,CAAC,EAAA;;oBAArF,IAAI,GAAe,SAAkE;oBACvF,IAAI,GAAG,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC;oBAC3B,OAAO,IAAI,IAAI,CAAC,EAAE,IAAI,EAAE,EAAE;wBACtB,IAAI,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC;4BAAE,MAAM;qBAC/B;oBACK,MAAM,GAAG,aAAa,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,IAAI,GAAG,CAAC,CAAC,CAAC,CAAC;oBACtD,sBAAO,MAAM,EAAC;;;;CACjB;AAED,MAAM,UAAgB,eAAe,CAAC,GAAkB,EAAE,MAAiB,EAAE,SAA8B,EAAE,UAAkB;;;;;;oBAC3H,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,UAAU,CAAC;wBAAE,MAAM,IAAI,KAAK,CAAC,gBAAc,UAAU,oBAAiB,CAAC,CAAC;oBAC/E,qBAAM,UAAU,CAAC,GAAG,EAAE,SAAS,EAAE,MAAM,CAAC,OAAO,CAAC,UAAU,CAAC,CAAC,EAAA;;oBAAnE,IAAI,GAAG,SAA4D;oBACxD,qBAAM,GAAG,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,OAAO,EAAE,UAAA,GAAG,IAAI,OAAA,OAAO,CAAC,GAAG,EAAE,IAAI,CAAC,EAAlB,CAAkB,CAAC,CAAC,EAAA;;oBAA7E,QAAQ,GAAG,SAAkE;oBAEnF,sBAAO;4BACH,MAAM,QAAA;4BACN,UAAU,YAAA;4BACV,IAAI,EAAE,aAAa,CAAC,QAAQ,CAAC;yBAChC,EAAC;;;;CACL;AAED,SAAe,UAAU,CAAC,GAAkB,EAAE,SAA8B,EAAE,KAAuC;;;;;yBAC7G,CAAA,OAAO,SAAS,KAAK,QAAQ,CAAA,EAA7B,wBAA6B;oBACtB,qBAAM,GAAG,CAAC,OAAO,CAAC,GAAG,CAAC,KAAK,CAAC,EAAE,GAAG,EAAE,SAAS,EAAE,OAAO,EAAE,CAAC,CAAC,OAAO,EAAE,WAAS,KAAK,CAAC,MAAM,UAAI,KAAK,CAAC,MAAM,GAAG,KAAK,CAAC,IAAI,GAAG,CAAC,CAAE,CAAC,CAAC,EAAE,IAAI,EAAE,QAAQ,EAAE,CAAC,CAAC,EAAA;wBAAvJ,sBAAO,SAAgJ,EAAC;wBAExJ,sBAAO,SAAS,CAAC,KAAK,CAAC,KAAK,CAAC,MAAM,EAAE,KAAK,CAAC,MAAM,GAAG,KAAK,CAAC,IAAI,CAAC,EAAC;;;;CAEvE"}
1
+ {"version":3,"file":"data.js","sourceRoot":"","sources":["../../../src/extensions/g3d/data.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAEH,OAAO,EAAE,aAAa,EAAE,MAAM,oCAAoC,CAAC;AAEnE,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,OAAO,EAAE,MAAM,wBAAwB,CAAC;AA0BjD,IAAM,WAAW,GAAG,KAAK,CAAC;AAE1B,MAAM,UAAgB,YAAY,CAAC,GAAkB,EAAE,SAA8B;;;;;wBACxD,qBAAM,UAAU,CAAC,GAAG,EAAE,SAAS,EAAE,EAAE,MAAM,EAAE,CAAC,EAAE,IAAI,EAAE,WAAW,EAAE,CAAC,EAAA;;oBAArF,IAAI,GAAe,SAAkE;oBACvF,IAAI,GAAG,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC;oBAC3B,OAAO,IAAI,IAAI,CAAC,EAAE,IAAI,EAAE,EAAE;wBACtB,IAAI,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC;4BAAE,MAAM;qBAC/B;oBACK,MAAM,GAAG,aAAa,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,IAAI,GAAG,CAAC,CAAC,CAAC,CAAC;oBACtD,sBAAO,MAAM,EAAC;;;;CACjB;AAED,MAAM,UAAgB,eAAe,CAAC,GAAkB,EAAE,MAAiB,EAAE,SAA8B,EAAE,UAAkB;;;;;;oBAC3H,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,UAAU,CAAC;wBAAE,MAAM,IAAI,KAAK,CAAC,qBAAc,UAAU,oBAAiB,CAAC,CAAC;oBAC/E,qBAAM,UAAU,CAAC,GAAG,EAAE,SAAS,EAAE,MAAM,CAAC,OAAO,CAAC,UAAU,CAAC,CAAC,EAAA;;oBAAnE,IAAI,GAAG,SAA4D;oBACxD,qBAAM,GAAG,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,OAAO,EAAE,UAAA,GAAG,IAAI,OAAA,OAAO,CAAC,GAAG,EAAE,IAAI,CAAC,EAAlB,CAAkB,CAAC,CAAC,EAAA;;oBAA7E,QAAQ,GAAG,SAAkE;oBAEnF,sBAAO;4BACH,MAAM,QAAA;4BACN,UAAU,YAAA;4BACV,IAAI,EAAE,aAAa,CAAC,QAAQ,CAAC;yBAChC,EAAC;;;;CACL;AAED,SAAe,UAAU,CAAC,GAAkB,EAAE,SAA8B,EAAE,KAAuC;;;;;yBAC7G,CAAA,OAAO,SAAS,KAAK,QAAQ,CAAA,EAA7B,wBAA6B;oBACtB,qBAAM,GAAG,CAAC,OAAO,CAAC,GAAG,CAAC,KAAK,CAAC,EAAE,GAAG,EAAE,SAAS,EAAE,OAAO,EAAE,CAAC,CAAC,OAAO,EAAE,gBAAS,KAAK,CAAC,MAAM,cAAI,KAAK,CAAC,MAAM,GAAG,KAAK,CAAC,IAAI,GAAG,CAAC,CAAE,CAAC,CAAC,EAAE,IAAI,EAAE,QAAQ,EAAE,CAAC,CAAC,EAAA;wBAAvJ,sBAAO,SAAgJ,EAAC;wBAExJ,sBAAO,SAAS,CAAC,KAAK,CAAC,KAAK,CAAC,MAAM,EAAE,KAAK,CAAC,MAAM,GAAG,KAAK,CAAC,IAAI,CAAC,EAAC;;;;CAEvE"}