molstar 3.3.1 → 3.4.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (777) hide show
  1. package/README.md +3 -0
  2. package/build/viewer/molstar.js +1 -1
  3. package/lib/apps/docking-viewer/viewport.js +1 -1
  4. package/lib/apps/viewer/app.d.ts +7 -6
  5. package/lib/apps/viewer/app.js +2 -0
  6. package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  7. package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
  8. package/lib/commonjs/apps/docking-viewer/index.js +12 -12
  9. package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
  10. package/lib/commonjs/apps/viewer/app.d.ts +7 -6
  11. package/lib/commonjs/apps/viewer/app.js +24 -22
  12. package/lib/commonjs/apps/viewer/index.js +1 -1
  13. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
  14. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  15. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
  16. package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
  17. package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
  18. package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
  19. package/lib/commonjs/cli/cif2bcif/index.js +8 -8
  20. package/lib/commonjs/cli/cifschema/index.js +27 -27
  21. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
  22. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  23. package/lib/commonjs/cli/state-docs/index.js +2 -2
  24. package/lib/commonjs/cli/structure-info/helpers.js +11 -11
  25. package/lib/commonjs/cli/structure-info/model.js +15 -15
  26. package/lib/commonjs/cli/structure-info/volume.js +9 -9
  27. package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
  28. package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
  29. package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
  30. package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
  31. package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
  32. package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
  33. package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
  34. package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
  35. package/lib/commonjs/examples/lighting/index.js +6 -6
  36. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
  37. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
  38. package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
  39. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
  40. package/lib/commonjs/examples/task.js +15 -15
  41. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
  42. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
  43. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
  44. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
  45. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
  46. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
  47. package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
  48. package/lib/commonjs/extensions/anvil/behavior.js +14 -14
  49. package/lib/commonjs/extensions/anvil/prop.js +7 -7
  50. package/lib/commonjs/extensions/anvil/representation.js +5 -5
  51. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  52. package/lib/commonjs/extensions/cellpack/model.js +26 -24
  53. package/lib/commonjs/extensions/cellpack/preset.js +6 -6
  54. package/lib/commonjs/extensions/cellpack/property.js +3 -3
  55. package/lib/commonjs/extensions/cellpack/representation.js +2 -2
  56. package/lib/commonjs/extensions/cellpack/state.js +13 -13
  57. package/lib/commonjs/extensions/cellpack/util.js +14 -14
  58. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  59. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +5 -5
  60. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
  61. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +1 -1
  62. package/lib/commonjs/extensions/g3d/data.js +6 -6
  63. package/lib/commonjs/extensions/g3d/format.js +14 -14
  64. package/lib/commonjs/extensions/g3d/model.js +4 -4
  65. package/lib/commonjs/extensions/geo-export/controls.js +3 -3
  66. package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
  67. package/lib/commonjs/extensions/geo-export/index.js +1 -1
  68. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
  69. package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
  70. package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
  71. package/lib/commonjs/extensions/geo-export/ui.js +7 -7
  72. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
  73. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
  74. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
  75. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
  76. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
  77. package/lib/commonjs/extensions/model-export/export.js +4 -4
  78. package/lib/commonjs/extensions/model-export/index.js +1 -1
  79. package/lib/commonjs/extensions/model-export/ui.js +5 -5
  80. package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
  81. package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
  82. package/lib/commonjs/extensions/mp4-export/index.js +1 -1
  83. package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
  84. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
  85. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
  86. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  87. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
  88. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
  89. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
  90. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
  91. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
  92. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
  93. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
  94. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
  95. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +3 -3
  96. package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
  97. package/lib/commonjs/extensions/zenodo/index.js +35 -0
  98. package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
  99. package/lib/commonjs/extensions/zenodo/ui.js +306 -0
  100. package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
  101. package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
  102. package/lib/commonjs/mol-canvas3d/camera.js +2 -1
  103. package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
  104. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  105. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
  106. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
  107. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
  108. package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
  109. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
  110. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  111. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
  112. package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
  113. package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
  114. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
  115. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
  116. package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
  117. package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
  118. package/lib/commonjs/mol-canvas3d/util.js +2 -2
  119. package/lib/commonjs/mol-data/db/column.js +2 -2
  120. package/lib/commonjs/mol-data/db/table.js +1 -1
  121. package/lib/commonjs/mol-data/db.js +1 -1
  122. package/lib/commonjs/mol-data/generic.js +3 -3
  123. package/lib/commonjs/mol-data/index.js +4 -4
  124. package/lib/commonjs/mol-data/int/interval.js +1 -1
  125. package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
  126. package/lib/commonjs/mol-data/int/segmentation.js +1 -1
  127. package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
  128. package/lib/commonjs/mol-data/util.js +7 -7
  129. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
  130. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
  131. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
  132. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
  133. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
  134. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
  135. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
  136. package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
  137. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
  138. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  139. package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
  140. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
  141. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +4 -4
  142. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
  143. package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
  144. package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
  145. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  146. package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
  147. package/lib/commonjs/mol-geo/primitive/star.js +1 -1
  148. package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
  149. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
  150. package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
  151. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
  152. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
  153. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
  154. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
  155. package/lib/commonjs/mol-gl/compute/util.js +3 -3
  156. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  157. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  158. package/lib/commonjs/mol-gl/renderable/image.js +3 -3
  159. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  160. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  161. package/lib/commonjs/mol-gl/renderable/points.js +3 -3
  162. package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
  163. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  164. package/lib/commonjs/mol-gl/renderable/text.js +3 -3
  165. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  166. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  167. package/lib/commonjs/mol-gl/shader-code.js +2 -1
  168. package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
  169. package/lib/commonjs/mol-gl/webgl/context.js +3 -3
  170. package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
  171. package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
  172. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
  173. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
  174. package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
  175. package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
  176. package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
  177. package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
  178. package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
  179. package/lib/commonjs/mol-io/common/typed-array.js +2 -2
  180. package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
  181. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
  182. package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
  183. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  184. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  185. package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
  186. package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
  187. package/lib/commonjs/mol-io/reader/cif.js +1 -1
  188. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
  189. package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
  190. package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
  191. package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
  192. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  193. package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
  194. package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
  195. package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
  196. package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
  197. package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
  198. package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
  199. package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
  200. package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
  201. package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
  202. package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
  203. package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
  204. package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
  205. package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
  206. package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
  207. package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
  208. package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
  209. package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
  210. package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
  211. package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
  212. package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
  213. package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
  214. package/lib/commonjs/mol-io/writer/cif.js +1 -1
  215. package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
  216. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  217. package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
  218. package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
  219. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +4 -4
  220. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
  221. package/lib/commonjs/mol-math/geometry/gaussian-density.js +4 -4
  222. package/lib/commonjs/mol-math/geometry/molecular-surface.js +8 -8
  223. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +1 -1
  224. package/lib/commonjs/mol-math/geometry.js +8 -8
  225. package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
  226. package/lib/commonjs/mol-math/graph.js +1 -1
  227. package/lib/commonjs/mol-math/linear-algebra.js +2 -2
  228. package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
  229. package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
  230. package/lib/commonjs/mol-model/sequence.js +1 -1
  231. package/lib/commonjs/mol-model/shape.js +1 -1
  232. package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
  233. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  234. package/lib/commonjs/mol-model/structure/model/model.js +3 -3
  235. package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
  236. package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
  237. package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
  238. package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
  239. package/lib/commonjs/mol-model/structure/model.js +3 -3
  240. package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
  241. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
  242. package/lib/commonjs/mol-model/structure/query.js +6 -6
  243. package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
  244. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  245. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
  246. package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
  247. package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
  248. package/lib/commonjs/mol-model/structure/structure/structure.js +5 -5
  249. package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
  250. package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
  251. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +3 -3
  252. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  253. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
  254. package/lib/commonjs/mol-model/structure/structure/unit.js +4 -4
  255. package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
  256. package/lib/commonjs/mol-model/structure/structure.js +2 -2
  257. package/lib/commonjs/mol-model/structure/topology.js +1 -1
  258. package/lib/commonjs/mol-model/structure.js +6 -6
  259. package/lib/commonjs/mol-model/volume.js +2 -2
  260. package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
  261. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
  262. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
  263. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  264. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  265. package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
  266. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
  267. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
  268. package/lib/commonjs/mol-model-formats/structure/basic/schema.js +7 -2
  269. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +2 -2
  270. package/lib/commonjs/mol-model-formats/structure/basic/util.d.ts +33 -2
  271. package/lib/commonjs/mol-model-formats/structure/basic/util.js +26 -2
  272. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  273. package/lib/commonjs/mol-model-formats/structure/common/component.js +5 -1
  274. package/lib/commonjs/mol-model-formats/structure/cube.js +5 -5
  275. package/lib/commonjs/mol-model-formats/structure/dcd.js +2 -2
  276. package/lib/commonjs/mol-model-formats/structure/gro.js +5 -3
  277. package/lib/commonjs/mol-model-formats/structure/mmcif.d.ts +1 -1
  278. package/lib/commonjs/mol-model-formats/structure/mmcif.js +4 -2
  279. package/lib/commonjs/mol-model-formats/structure/mol.js +5 -5
  280. package/lib/commonjs/mol-model-formats/structure/mol2.js +6 -6
  281. package/lib/commonjs/mol-model-formats/structure/nctraj.d.ts +9 -0
  282. package/lib/commonjs/mol-model-formats/structure/nctraj.js +60 -0
  283. package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +2 -2
  284. package/lib/commonjs/mol-model-formats/structure/pdb.d.ts +1 -1
  285. package/lib/commonjs/mol-model-formats/structure/pdb.js +7 -5
  286. package/lib/commonjs/mol-model-formats/structure/prmtop.d.ts +16 -0
  287. package/lib/commonjs/mol-model-formats/structure/prmtop.js +147 -0
  288. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  289. package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -1
  290. package/lib/commonjs/mol-model-formats/structure/psf.js +5 -3
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  663. package/lib/mol-io/writer/cif/encoder.js +2 -1
  664. package/lib/mol-model/sequence/sequence.js +2 -1
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  675. package/lib/mol-model-formats/structure/basic/util.d.ts +33 -2
  676. package/lib/mol-model-formats/structure/basic/util.js +24 -1
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  680. package/lib/mol-model-formats/structure/gro.js +3 -1
  681. package/lib/mol-model-formats/structure/mmcif.d.ts +1 -1
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  686. package/lib/mol-model-formats/structure/nctraj.js +56 -0
  687. package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
  688. package/lib/mol-model-formats/structure/pdb.js +5 -3
  689. package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
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  693. package/lib/mol-model-formats/structure/top.d.ts +16 -0
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  695. package/lib/mol-model-formats/structure/trr.d.ts +9 -0
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  767. package/lib/mol-util/file-info.d.ts +1 -3
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  774. package/lib/servers/model/config.d.ts +2 -2
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  777. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -87,7 +87,7 @@ var Transformer;
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  var Builder;
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  (function (Builder) {
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  function root(namespace, info) {
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- return function (def) { return create(namespace, (0, tslib_1.__assign)({ name: info.name, from: info.from instanceof Array ? info.from : [info.from], to: info.to instanceof Array ? info.to : [info.to], display: typeof info.display === 'string'
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+ return function (def) { return create(namespace, tslib_1.__assign({ name: info.name, from: info.from instanceof Array ? info.from : [info.from], to: info.to instanceof Array ? info.to : [info.to], display: typeof info.display === 'string'
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  ? { name: info.display }
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  : !!info.display
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  ? info.display
@@ -63,7 +63,7 @@ function createAbortFunction(token) {
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  }
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  function cloneTree(root) {
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- return { progress: (0, tslib_1.__assign)({}, root.progress), children: root.children.map(cloneTree) };
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+ return { progress: tslib_1.__assign({}, root.progress), children: root.children.map(cloneTree) };
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  }
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  function canAbort(root) {
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  return root.progress.canAbort && root.children.every(canAbort);
@@ -72,9 +72,9 @@ function snapshotProgress(info) {
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  return { root: cloneTree(info.root), canAbort: canAbort(info.root), requestAbort: info.tryAbort };
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  }
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  function execute(task, ctx) {
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- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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  var ret, e_1;
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- return (0, tslib_1.__generator)(this, function (_a) {
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+ return tslib_1.__generator(this, function (_a) {
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@@ -200,9 +200,9 @@ var ObservableRuntimeContext = /** @class */ (function () {
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  };
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  ObservableRuntimeContext.prototype.runChild = function (task, progress) {
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- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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  var node, children, ctx, e_2, idx, i, _i;
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- return (0, tslib_1.__generator)(this, function (_a) {
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+ return tslib_1.__generator(this, function (_a) {
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@@ -52,21 +52,21 @@ var Task;
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  function constant(name, value) {
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- return create(name, function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
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+ return create(name, function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
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- return create('', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
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+ return create('', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
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- return create(name, function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
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+ return create(name, function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
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@@ -9,9 +9,9 @@ exports.chunkedSubtask = void 0;
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  var now_1 = require("../../mol-util/now");
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  function chunkedSubtask(ctx, initialChunk, state, f, update) {
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- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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  var chunkSize, globalProcessed, globalTime, start, lastSize, currentTime, delta;
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- return (0, tslib_1.__generator)(this, function (_a) {
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+ return tslib_1.__generator(this, function (_a) {
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  switch (_a.label) {
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  case 0:
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@@ -10,7 +10,7 @@ var tslib_1 = require("tslib");
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  var task_1 = require("../task");
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  function MultistepTask(name, steps, f, onAbort) {
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  var _this = this;
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- return function (params) { return task_1.Task.create(name, function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
13
+ return function (params) { return task_1.Task.create(name, function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
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  return [2 /*return*/, f(params, function (n) { return ctx.update({ message: "".concat(steps[n]), current: n + 1, max: steps.length }); }, ctx)];
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  }); }); }, onAbort); };
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@@ -5,8 +5,8 @@
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  */
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  /// <reference types="node" />
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  declare const Scheduler: {
8
- setImmediate: ((callback: (...args: any[]) => void, ...args: any[]) => number) | typeof setImmediate;
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- clearImmediate: ((handle: number) => void) | typeof clearImmediate;
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+ setImmediate: typeof setImmediate | ((callback: (...args: any[]) => void, ...args: any[]) => number);
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+ clearImmediate: typeof clearImmediate | ((handle: number) => void);
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  immediatePromise(): Promise<void>;
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  delay<T>(timeout: number, value?: T | undefined): Promise<T>;
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  };
@@ -8,7 +8,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
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  exports.Scheduler = void 0;
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  var tslib_1 = require("tslib");
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  function createImmediateActions() {
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- var global = (function () {
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+ var thisGlobal = (function () {
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  var _window = typeof window !== 'undefined' && window;
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  var _self = typeof self !== 'undefined' && typeof WorkerGlobalScope !== 'undefined' && self instanceof WorkerGlobalScope && self;
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  var _global = typeof global !== 'undefined' && global;
@@ -68,14 +68,14 @@ function createImmediateActions() {
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  };
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  }
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  function canUsePostMessage() {
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- if (global && global.postMessage && !global.importScripts) {
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+ if (thisGlobal && thisGlobal.postMessage && !thisGlobal.importScripts) {
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  var postMessageIsAsynchronous_1 = true;
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- var oldOnMessage = global.onmessage;
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+ var oldOnMessage = thisGlobal.onmessage;
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+ thisGlobal.onmessage = function () {
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  };
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- global.postMessage('', '*');
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- global.onmessage = oldOnMessage;
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+ thisGlobal.postMessage('', '*');
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+ thisGlobal.onmessage = oldOnMessage;
79
79
  return postMessageIsAsynchronous_1;
80
80
  }
81
81
  }
@@ -85,7 +85,7 @@ function createImmediateActions() {
85
85
  // * http://www.whatwg.org/specs/web-apps/current-work/multipage/comms.html#crossDocumentMessages
86
86
  var messagePrefix = 'setImmediate$' + Math.random() + '$';
87
87
  var onGlobalMessage = function (event) {
88
- if (event.source === global &&
88
+ if (event.source === thisGlobal &&
89
89
  typeof event.data === 'string' &&
90
90
  event.data.indexOf(messagePrefix) === 0) {
91
91
  runIfPresent(+event.data.slice(messagePrefix.length));
@@ -167,7 +167,7 @@ var immediateActions = (function () {
167
167
  for (var _i = 1; _i < arguments.length; _i++) {
168
168
  args[_i - 1] = arguments[_i];
169
169
  }
170
- return (_a = window).setImmediate.apply(_a, (0, tslib_1.__spreadArray)([handler], args, false));
170
+ return (_a = window).setImmediate.apply(_a, tslib_1.__spreadArray([handler], args, false));
171
171
  },
172
172
  clearImmediate: function (handle) { return window.clearImmediate(handle); }
173
173
  };
@@ -14,7 +14,7 @@ var palette_1 = require("../../mol-util/color/palette");
14
14
  var DefaultList = 'many-distinct';
15
15
  var DefaultColor = (0, color_1.Color)(0xFAFAFA);
16
16
  var Description = 'Gives every atom a color based on its `label_atom_id` value.';
17
- exports.AtomIdColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
17
+ exports.AtomIdColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
18
18
  function getAtomIdColorThemeParams(ctx) {
19
19
  var params = param_definition_1.ParamDefinition.clone(exports.AtomIdColorThemeParams);
20
20
  return params;
@@ -14,7 +14,7 @@ var palette_1 = require("../../mol-util/color/palette");
14
14
  var DefaultList = 'many-distinct';
15
15
  var DefaultColor = (0, color_1.Color)(0xFAFAFA);
16
16
  var Description = 'Gives every chain a color based on its `asym_id` value.';
17
- exports.ChainIdColorThemeParams = (0, tslib_1.__assign)({ asymId: param_definition_1.ParamDefinition.Select('auth', param_definition_1.ParamDefinition.arrayToOptions(['auth', 'label'])) }, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
17
+ exports.ChainIdColorThemeParams = tslib_1.__assign({ asymId: param_definition_1.ParamDefinition.Select('auth', param_definition_1.ParamDefinition.arrayToOptions(['auth', 'label'])) }, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
18
18
  function getChainIdColorThemeParams(ctx) {
19
19
  var _a;
20
20
  var params = param_definition_1.ParamDefinition.clone(exports.ChainIdColorThemeParams);
@@ -14,7 +14,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
14
14
  var palette_1 = require("../../mol-util/color/palette");
15
15
  var DefaultColor = (0, color_1.Color)(0xCCCCCC);
16
16
  var Description = 'Gives every element (atom or coarse sphere/gaussian) a unique color based on the position (index) of the element in the list of elements in the structure.';
17
- exports.ElementIndexColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'red-yellow-blue' }));
17
+ exports.ElementIndexColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'red-yellow-blue' }));
18
18
  function getElementIndexColorThemeParams(ctx) {
19
19
  return exports.ElementIndexColorThemeParams; // TODO return copy
20
20
  }
@@ -14,7 +14,7 @@ var palette_1 = require("../../mol-util/color/palette");
14
14
  var DefaultList = 'many-distinct';
15
15
  var DefaultColor = (0, color_1.Color)(0xFAFAFA);
16
16
  var Description = 'Gives every chain a color based on its `label_entity_id` value.';
17
- exports.EntityIdColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
17
+ exports.EntityIdColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
18
18
  function getEntityIdColorThemeParams(ctx) {
19
19
  var params = param_definition_1.ParamDefinition.clone(exports.EntityIdColorThemeParams);
20
20
  return params;
@@ -17,13 +17,13 @@ var mmcif_1 = require("../../mol-model-formats/structure/mmcif");
17
17
  var DefaultList = 'dark-2';
18
18
  var DefaultColor = (0, color_1.Color)(0xFAFAFA);
19
19
  var Description = 'Gives ranges of a polymer chain a color based on the entity source it originates from (e.g. gene, plasmid, organism).';
20
- exports.EntitySourceColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
20
+ exports.EntitySourceColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
21
21
  function getEntitySourceColorThemeParams(ctx) {
22
22
  var params = param_definition_1.ParamDefinition.clone(exports.EntitySourceColorThemeParams);
23
23
  if (ctx.structure) {
24
24
  if (getMaps(ctx.structure.root.models).srcKeySerialMap.size > lists_1.ColorLists[DefaultList].list.length) {
25
25
  params.palette.defaultValue.name = 'colors';
26
- params.palette.defaultValue.params = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
26
+ params.palette.defaultValue.params = tslib_1.__assign(tslib_1.__assign({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
27
27
  }
28
28
  }
29
29
  return params;
@@ -50,8 +50,8 @@ function HydrophobicityColorTheme(ctx, props) {
50
50
  var scale = color_1.ColorScale.create({
51
51
  listOrName: props.list.colors,
52
52
  domain: [max, min],
53
- minLabel: 'Hydrophobic',
54
- maxLabel: 'Hydrophilic'
53
+ minLabel: 'Hydrophilic',
54
+ maxLabel: 'Hydrophobic'
55
55
  });
56
56
  function color(location) {
57
57
  var compId;
@@ -13,7 +13,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
13
13
  var palette_1 = require("../../mol-util/color/palette");
14
14
  var DefaultColor = (0, color_1.Color)(0xCCCCCC);
15
15
  var Description = 'Gives every model a unique color based on the position (index) of the model in the list of models in the structure.';
16
- exports.ModelIndexColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'purples' }));
16
+ exports.ModelIndexColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'purples' }));
17
17
  function getModelIndexColorThemeParams(ctx) {
18
18
  return exports.ModelIndexColorThemeParams; // TODO return copy
19
19
  }
@@ -16,13 +16,13 @@ var lists_1 = require("../../mol-util/color/lists");
16
16
  var DefaultList = 'dark-2';
17
17
  var DefaultColor = (0, color_1.Color)(0xCCCCCC);
18
18
  var Description = "Assigns a color based on the operator HKL value of a transformed chain.";
19
- exports.OperatorHklColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
19
+ exports.OperatorHklColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
20
20
  function getOperatorHklColorThemeParams(ctx) {
21
21
  var params = param_definition_1.ParamDefinition.clone(exports.OperatorHklColorThemeParams);
22
22
  if (ctx.structure) {
23
23
  if (getOperatorHklSerialMap(ctx.structure.root).map.size > lists_1.ColorLists[DefaultList].list.length) {
24
24
  params.palette.defaultValue.name = 'colors';
25
- params.palette.defaultValue.params = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
25
+ params.palette.defaultValue.params = tslib_1.__assign(tslib_1.__assign({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
26
26
  }
27
27
  }
28
28
  return params;
@@ -14,7 +14,7 @@ var palette_1 = require("../../mol-util/color/palette");
14
14
  var DefaultList = 'many-distinct';
15
15
  var DefaultColor = (0, color_1.Color)(0xCCCCCC);
16
16
  var Description = "Assigns a color based on the operator name of a transformed chain.";
17
- exports.OperatorNameColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
17
+ exports.OperatorNameColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
18
18
  function getOperatorNameColorThemeParams(ctx) {
19
19
  var params = param_definition_1.ParamDefinition.clone(exports.OperatorNameColorThemeParams);
20
20
  return params;
@@ -16,13 +16,13 @@ var lists_1 = require("../../mol-util/color/lists");
16
16
  var DefaultList = 'dark-2';
17
17
  var DefaultColor = (0, color_1.Color)(0xFAFAFA);
18
18
  var Description = 'Gives every polymer chain a color based on its `asym_id` value.';
19
- exports.PolymerIdColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
19
+ exports.PolymerIdColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
20
20
  function getPolymerIdColorThemeParams(ctx) {
21
21
  var params = param_definition_1.ParamDefinition.clone(exports.PolymerIdColorThemeParams);
22
22
  if (ctx.structure) {
23
23
  if (getPolymerAsymIdSerialMap(ctx.structure.root).size > lists_1.ColorLists[DefaultList].list.length) {
24
24
  params.palette.defaultValue.name = 'colors';
25
- params.palette.defaultValue.params = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
25
+ params.palette.defaultValue.params = tslib_1.__assign(tslib_1.__assign({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
26
26
  }
27
27
  }
28
28
  return params;
@@ -15,13 +15,13 @@ var lists_1 = require("../../mol-util/color/lists");
15
15
  var DefaultList = 'dark-2';
16
16
  var DefaultColor = (0, color_1.Color)(0xCCCCCC);
17
17
  var Description = 'Gives every polymer chain instance a unique color based on the position (index) of the polymer in the list of polymers in the structure.';
18
- exports.PolymerIndexColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
18
+ exports.PolymerIndexColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
19
19
  function getPolymerIndexColorThemeParams(ctx) {
20
20
  var params = param_definition_1.ParamDefinition.clone(exports.PolymerIndexColorThemeParams);
21
21
  if (ctx.structure) {
22
22
  if (getPolymerChainCount(ctx.structure.root) > lists_1.ColorLists[DefaultList].list.length) {
23
23
  params.palette.defaultValue.name = 'colors';
24
- params.palette.defaultValue.params = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
24
+ params.palette.defaultValue.params = tslib_1.__assign(tslib_1.__assign({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
25
25
  }
26
26
  }
27
27
  return params;
@@ -15,13 +15,13 @@ var lists_1 = require("../../mol-util/color/lists");
15
15
  var DefaultList = 'dark-2';
16
16
  var DefaultColor = (0, color_1.Color)(0xCCCCCC);
17
17
  var Description = 'Gives every chain instance (single chain or collection of single elements) a unique color based on the position (index) of the chain in the list of chains in the structure.';
18
- exports.UnitIndexColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
18
+ exports.UnitIndexColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
19
19
  function getUnitIndexColorThemeParams(ctx) {
20
20
  var params = param_definition_1.ParamDefinition.clone(exports.UnitIndexColorThemeParams);
21
21
  if (ctx.structure) {
22
22
  if (ctx.structure.root.units.length > lists_1.ColorLists[DefaultList].list.length) {
23
23
  params.palette.defaultValue.name = 'colors';
24
- params.palette.defaultValue.params = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
24
+ params.palette.defaultValue.params = tslib_1.__assign(tslib_1.__assign({}, params.palette.defaultValue.params), { list: { kind: 'interpolate', colors: (0, lists_1.getColorListFromName)(DefaultList).list } });
25
25
  }
26
26
  }
27
27
  return params;
@@ -83,7 +83,7 @@ function getResidueCount(unit) {
83
83
  }
84
84
  function structureElementStatsLabel(stats, options) {
85
85
  if (options === void 0) { options = {}; }
86
- var o = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultLabelOptions), options);
86
+ var o = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultLabelOptions), options);
87
87
  var label = _structureElementStatsLabel(stats, o.countsOnly, o.hidePrefix, o.condensed, o.reverse);
88
88
  return o.htmlStyling ? label : (0, string_1.stripTags)(label);
89
89
  }
@@ -164,7 +164,7 @@ function bondLabel(bond, options) {
164
164
  exports.bondLabel = bondLabel;
165
165
  function bundleLabel(bundle, options) {
166
166
  if (options === void 0) { options = {}; }
167
- var o = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultLabelOptions), options);
167
+ var o = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultLabelOptions), options);
168
168
  var label = _bundleLabel(bundle, o);
169
169
  return o.htmlStyling ? label : (0, string_1.stripTags)(label);
170
170
  }
@@ -222,7 +222,7 @@ exports._bundleLabel = _bundleLabel;
222
222
  function elementLabel(location, options) {
223
223
  var _a, _b;
224
224
  if (options === void 0) { options = {}; }
225
- var o = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultLabelOptions), options);
225
+ var o = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultLabelOptions), options);
226
226
  var _label = _elementLabel(location, o.granularity, o.hidePrefix, o.reverse || o.condensed);
227
227
  // TODO: condensed label for single atom structure returns empty label.. handle this case here?
228
228
  var label = o.condensed ? (_b = (_a = _label[0]) === null || _a === void 0 ? void 0 : _a.replace(/\[.*\]/g, '').trim()) !== null && _b !== void 0 ? _b : '' : _label.filter(function (l) { return !!l; }).join(' | ');
@@ -326,7 +326,7 @@ function _coarseElementLabel(location, granularity) {
326
326
  //
327
327
  function distanceLabel(pair, options) {
328
328
  if (options === void 0) { options = {}; }
329
- var o = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultLabelOptions), { measureOnly: false, unitLabel: '\u212B' }), options);
329
+ var o = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, exports.DefaultLabelOptions), { measureOnly: false, unitLabel: '\u212B' }), options);
330
330
  var _a = pair.loci.map(function (l) { return loci_1.Loci.getCenter(l); }), cA = _a[0], cB = _a[1];
331
331
  var distance = "".concat(linear_algebra_1.Vec3.distance(cA, cB).toFixed(2), " ").concat(o.unitLabel);
332
332
  if (o.measureOnly)
@@ -337,7 +337,7 @@ function distanceLabel(pair, options) {
337
337
  exports.distanceLabel = distanceLabel;
338
338
  function angleLabel(triple, options) {
339
339
  if (options === void 0) { options = {}; }
340
- var o = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultLabelOptions), { measureOnly: false }), options);
340
+ var o = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, exports.DefaultLabelOptions), { measureOnly: false }), options);
341
341
  var _a = triple.loci.map(function (l) { return loci_1.Loci.getCenter(l); }), cA = _a[0], cB = _a[1], cC = _a[2];
342
342
  var vAB = linear_algebra_1.Vec3.sub((0, linear_algebra_1.Vec3)(), cA, cB);
343
343
  var vCB = linear_algebra_1.Vec3.sub((0, linear_algebra_1.Vec3)(), cC, cB);
@@ -350,7 +350,7 @@ function angleLabel(triple, options) {
350
350
  exports.angleLabel = angleLabel;
351
351
  function dihedralLabel(quad, options) {
352
352
  if (options === void 0) { options = {}; }
353
- var o = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultLabelOptions), { measureOnly: false }), options);
353
+ var o = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, exports.DefaultLabelOptions), { measureOnly: false }), options);
354
354
  var _a = quad.loci.map(function (l) { return loci_1.Loci.getCenter(l); }), cA = _a[0], cB = _a[1], cC = _a[2], cD = _a[3];
355
355
  var dihedral = "".concat((0, misc_1.radToDeg)(linear_algebra_1.Vec3.dihedralAngle(cA, cB, cC, cD)).toFixed(2), "\u00B0");
356
356
  if (o.measureOnly)
@@ -28,8 +28,8 @@ var Theme;
28
28
  Theme.createEmpty = createEmpty;
29
29
  function ensureDependencies(ctx, theme, data, props) {
30
30
  var _a, _b;
31
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
32
- return (0, tslib_1.__generator)(this, function (_c) {
31
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
32
+ return tslib_1.__generator(this, function (_c) {
33
33
  switch (_c.label) {
34
34
  case 0: return [4 /*yield*/, ((_a = theme.colorThemeRegistry.get(props.colorTheme.name).ensureCustomProperties) === null || _a === void 0 ? void 0 : _a.attach(ctx, data))];
35
35
  case 1:
@@ -122,7 +122,7 @@ var ThemeRegistry = /** @class */ (function () {
122
122
  ThemeRegistry.prototype.create = function (name, ctx, props) {
123
123
  if (props === void 0) { props = {}; }
124
124
  var provider = this.get(name);
125
- return provider.factory(ctx, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(provider.getParams(ctx))), props));
125
+ return provider.factory(ctx, tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(provider.getParams(ctx))), props));
126
126
  };
127
127
  ThemeRegistry.prototype.getApplicableList = function (ctx) {
128
128
  return this._list.filter(function (e) { return e.provider.isApplicable(ctx); });
@@ -15,7 +15,7 @@ var mol_task_1 = require("../mol-task");
15
15
  var Asset;
16
16
  (function (Asset) {
17
17
  function Url(url, options) {
18
- return (0, tslib_1.__assign)({ kind: 'url', id: uuid_1.UUID.create22(), url: url }, options);
18
+ return tslib_1.__assign({ kind: 'url', id: uuid_1.UUID.create22(), url: url }, options);
19
19
  }
20
20
  Asset.Url = Url;
21
21
  function File(file) {
@@ -84,9 +84,9 @@ var AssetManager = /** @class */ (function () {
84
84
  var _this = this;
85
85
  if (store === void 0) { store = true; }
86
86
  if (Asset.isUrl(asset)) {
87
- return mol_task_1.Task.create("Download ".concat(asset.title || asset.url), function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
87
+ return mol_task_1.Task.create("Download ".concat(asset.title || asset.url), function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
88
88
  var entry, _a, _b, _c, _d, data, file, _e, _f;
89
- return (0, tslib_1.__generator)(this, function (_g) {
89
+ return tslib_1.__generator(this, function (_g) {
90
90
  switch (_g.label) {
91
91
  case 0:
92
92
  if (!this._assets.has(asset.id)) return [3 /*break*/, 2];
@@ -98,9 +98,9 @@ var AssetManager = /** @class */ (function () {
98
98
  case 2:
99
99
  if (!!store) return [3 /*break*/, 4];
100
100
  _d = (_c = Asset).Wrapper;
101
- return [4 /*yield*/, (0, data_source_1.ajaxGet)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, asset), { type: type })).runInContext(ctx)];
101
+ return [4 /*yield*/, (0, data_source_1.ajaxGet)(tslib_1.__assign(tslib_1.__assign({}, asset), { type: type })).runInContext(ctx)];
102
102
  case 3: return [2 /*return*/, _d.apply(_c, [_g.sent(), asset, this])];
103
- case 4: return [4 /*yield*/, (0, data_source_1.ajaxGet)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, asset), { type: 'binary' })).runInContext(ctx)];
103
+ case 4: return [4 /*yield*/, (0, data_source_1.ajaxGet)(tslib_1.__assign(tslib_1.__assign({}, asset), { type: 'binary' })).runInContext(ctx)];
104
104
  case 5:
105
105
  data = _g.sent();
106
106
  file = new File([data], 'raw-data');
@@ -113,9 +113,9 @@ var AssetManager = /** @class */ (function () {
113
113
  }); });
114
114
  }
115
115
  else {
116
- return mol_task_1.Task.create("Read ".concat(asset.name), function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
116
+ return mol_task_1.Task.create("Read ".concat(asset.name), function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
117
117
  var entry, _a, _b, _c, _d;
118
- return (0, tslib_1.__generator)(this, function (_e) {
118
+ return tslib_1.__generator(this, function (_e) {
119
119
  switch (_e.label) {
120
120
  case 0:
121
121
  if (!this._assets.has(asset.id)) return [3 /*break*/, 2];
@@ -88,7 +88,7 @@ function getSamples(count, p) {
88
88
  */
89
89
  function distinctColors(count, props) {
90
90
  if (props === void 0) { props = {}; }
91
- var p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.DistinctColorsParams)), props);
91
+ var p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.DistinctColorsParams)), props);
92
92
  if (count <= 0)
93
93
  return [];
94
94
  var samples = getSamples(Math.max(p.minSampleCount, count * 5), p);
@@ -19,13 +19,13 @@ var DefaultGetPaletteProps = {
19
19
  };
20
20
  function getPaletteParams(props) {
21
21
  if (props === void 0) { props = {}; }
22
- var p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, DefaultGetPaletteProps), props);
22
+ var p = tslib_1.__assign(tslib_1.__assign({}, DefaultGetPaletteProps), props);
23
23
  return {
24
24
  palette: param_definition_1.ParamDefinition.MappedStatic(p.type, {
25
25
  colors: param_definition_1.ParamDefinition.Group({
26
26
  list: param_definition_1.ParamDefinition.ColorList(p.colorList),
27
27
  }, { isFlat: true }),
28
- generate: param_definition_1.ParamDefinition.Group((0, tslib_1.__assign)((0, tslib_1.__assign)({}, distinct_1.DistinctColorsParams), { maxCount: param_definition_1.ParamDefinition.Numeric(75, { min: 1, max: 250, step: 1 }) }), { isFlat: true })
28
+ generate: param_definition_1.ParamDefinition.Group(tslib_1.__assign(tslib_1.__assign({}, distinct_1.DistinctColorsParams), { maxCount: param_definition_1.ParamDefinition.Numeric(75, { min: 1, max: 250, step: 1 }) }), { isFlat: true })
29
29
  }, {
30
30
  options: [
31
31
  ['colors', 'Color List'],
@@ -49,7 +49,7 @@ function getPalette(count, props, labelOptions) {
49
49
  if (props.palette.name === 'colors' && props.palette.params.list.kind === 'interpolate') {
50
50
  var list = props.palette.params.list;
51
51
  var domain = [0, count - 1];
52
- var _b = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, DefaultLabelOptions), labelOptions), minLabel = _b.minLabel, maxLabel = _b.maxLabel;
52
+ var _b = tslib_1.__assign(tslib_1.__assign({}, DefaultLabelOptions), labelOptions), minLabel = _b.minLabel, maxLabel = _b.maxLabel;
53
53
  var colors = list.colors;
54
54
  if (colors.length === 0)
55
55
  colors = (0, lists_1.getColorListFromName)(DefaultGetPaletteProps.colorList).list;
@@ -23,7 +23,7 @@ exports.DefaultColorScaleProps = {
23
23
  var ColorScale;
24
24
  (function (ColorScale) {
25
25
  function create(props) {
26
- var _a = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultColorScaleProps), props), domain = _a.domain, reverse = _a.reverse, listOrName = _a.listOrName;
26
+ var _a = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultColorScaleProps), props), domain = _a.domain, reverse = _a.reverse, listOrName = _a.listOrName;
27
27
  var list = typeof listOrName === 'string' ? (0, lists_1.getColorListFromName)(listOrName).list : listOrName;
28
28
  var colors = reverse ? list.slice().reverse() : list;
29
29
  var count1 = colors.length - 1;
@@ -39,7 +39,7 @@ var ColorScale;
39
39
  var color;
40
40
  var hasOffsets = colors.every(function (c) { return Array.isArray(c); });
41
41
  if (hasOffsets) {
42
- var sorted = (0, tslib_1.__spreadArray)([], colors, true);
42
+ var sorted = tslib_1.__spreadArray([], colors, true);
43
43
  sorted.sort(function (a, b) { return a[1] - b[1]; });
44
44
  var src_1 = sorted.map(function (c) { return c[0]; });
45
45
  var off_1 = int_1.SortedArray.ofSortedArray(sorted.map(function (c) { return c[1]; }));
@@ -100,10 +100,11 @@ function getCompression(name) {
100
100
  /\.zip$/i.test(name) ? DataCompressionMethod.Zip :
101
101
  DataCompressionMethod.None;
102
102
  }
103
+ var reFilterPath = /^(__MACOSX|.DS_Store)/;
103
104
  function decompress(ctx, data, compression) {
104
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
105
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
105
106
  var _a, parsed, names;
106
- return (0, tslib_1.__generator)(this, function (_b) {
107
+ return tslib_1.__generator(this, function (_b) {
107
108
  switch (_b.label) {
108
109
  case 0:
109
110
  _a = compression;
@@ -118,7 +119,7 @@ function decompress(ctx, data, compression) {
118
119
  case 3: return [4 /*yield*/, (0, zip_1.unzip)(ctx, data.buffer)];
119
120
  case 4:
120
121
  parsed = _b.sent();
121
- names = Object.keys(parsed);
122
+ names = Object.keys(parsed).filter(function (n) { return !reFilterPath.test(n); });
122
123
  if (names.length !== 1)
123
124
  throw new Error('can only decompress zip files with a single entry');
124
125
  return [2 /*return*/, parsed[names[0]]];
@@ -128,9 +129,9 @@ function decompress(ctx, data, compression) {
128
129
  });
129
130
  }
130
131
  function processFile(ctx, reader, type, compression) {
131
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
132
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
132
133
  var result, data, decompressed, parser;
133
- return (0, tslib_1.__generator)(this, function (_a) {
134
+ return tslib_1.__generator(this, function (_a) {
134
135
  switch (_a.label) {
135
136
  case 0:
136
137
  result = reader.result;
@@ -179,9 +180,9 @@ function processFile(ctx, reader, type, compression) {
179
180
  function readFromFileInternal(file, type) {
180
181
  var _this = this;
181
182
  var reader = void 0;
182
- return mol_task_1.Task.create('Read File', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
183
+ return mol_task_1.Task.create('Read File', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
183
184
  var compression, fileReader;
184
- return (0, tslib_1.__generator)(this, function (_a) {
185
+ return tslib_1.__generator(this, function (_a) {
185
186
  switch (_a.label) {
186
187
  case 0:
187
188
  _a.trys.push([0, , 5, 6]);
@@ -273,9 +274,9 @@ function getRequestResponseType(type) {
273
274
  function ajaxGetInternal(title, url, type, body, headers) {
274
275
  var _this = this;
275
276
  var xhttp = void 0;
276
- return mol_task_1.Task.create(title ? title : 'Download', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
277
+ return mol_task_1.Task.create(title ? title : 'Download', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
277
278
  var _a, headers_1, _b, name_1, value, req, result;
278
- return (0, tslib_1.__generator)(this, function (_c) {
279
+ return tslib_1.__generator(this, function (_c) {
279
280
  switch (_c.label) {
280
281
  case 0:
281
282
  xhttp = RequestPool.get();
@@ -310,9 +311,9 @@ function ajaxGetInternal(title, url, type, body, headers) {
310
311
  });
311
312
  }
312
313
  function ajaxGetMany(ctx, assetManager, sources, maxConcurrency) {
313
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
314
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
314
315
  var len, slots, promises, promiseKeys, currentSrc, _i, current, done, r, src, idx, current, asset;
315
- return (0, tslib_1.__generator)(this, function (_a) {
316
+ return tslib_1.__generator(this, function (_a) {
316
317
  switch (_a.label) {
317
318
  case 0:
318
319
  len = sources.length;
@@ -368,9 +369,9 @@ function _filterRemoveIndex(_, i) {
368
369
  return this !== i;
369
370
  }
370
371
  function wrapPromise(index, id, p) {
371
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
372
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
372
373
  var result, error_1;
373
- return (0, tslib_1.__generator)(this, function (_a) {
374
+ return tslib_1.__generator(this, function (_a) {
374
375
  switch (_a.label) {
375
376
  case 0:
376
377
  _a.trys.push([0, 2, , 3]);
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -11,8 +11,6 @@ export interface FileInfo {
11
11
  ext: string;
12
12
  base: string;
13
13
  dir: string;
14
- compressed: string | boolean;
15
- binary: boolean;
16
14
  protocol: string;
17
15
  query: string;
18
16
  src: FileInput;