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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  655. package/lib/mol-io/reader/nctraj/parser.d.ts +18 -0
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  663. package/lib/mol-io/writer/cif/encoder.js +2 -1
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  667. package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
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  669. package/lib/mol-model-formats/structure/basic/atomic.d.ts +1 -1
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  675. package/lib/mol-model-formats/structure/basic/util.d.ts +33 -2
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  677. package/lib/mol-model-formats/structure/cif-core.js +4 -4
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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
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  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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  717. package/lib/mol-plugin-state/objects.d.ts +47 -1
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  759. package/lib/mol-plugin-ui/viewport/screenshot.js +3 -3
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  766. package/lib/mol-util/data-source.js +2 -1
  767. package/lib/mol-util/file-info.d.ts +1 -3
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  769. package/lib/mol-util/index.d.ts +1 -0
  770. package/lib/mol-util/index.js +5 -0
  771. package/lib/mol-util/zip/deflate.js +2 -1
  772. package/lib/mol-util/zip/zip.d.ts +7 -1
  773. package/lib/mol-util/zip/zip.js +5 -1
  774. package/lib/servers/model/config.d.ts +2 -2
  775. package/package.json +16 -16
  776. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
  777. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -24,9 +24,9 @@ exports.BondParams = {
24
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  multipleBonds: param_definition_1.ParamDefinition.Select('symmetric', param_definition_1.ParamDefinition.arrayToOptions(['off', 'symmetric', 'offset'])),
25
25
  };
26
26
  exports.DefaultBondProps = param_definition_1.ParamDefinition.getDefaultValues(exports.BondParams);
27
- exports.BondCylinderParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, link_1.LinkCylinderParams), exports.BondParams), { adjustCylinderLength: param_definition_1.ParamDefinition.Boolean(false, { description: 'Shorten cylinders to reduce overlap with spheres. Useful for for transparent bonds. Not working well with aromatic bonds.' }) });
27
+ exports.BondCylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, link_1.LinkCylinderParams), exports.BondParams), { adjustCylinderLength: param_definition_1.ParamDefinition.Boolean(false, { description: 'Shorten cylinders to reduce overlap with spheres. Useful for for transparent bonds. Not working well with aromatic bonds.' }) });
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  exports.DefaultBondCylinderProps = param_definition_1.ParamDefinition.getDefaultValues(exports.BondCylinderParams);
29
- exports.BondLineParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, link_1.LinkLineParams), exports.BondParams);
29
+ exports.BondLineParams = tslib_1.__assign(tslib_1.__assign({}, link_1.LinkLineParams), exports.BondParams);
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30
  exports.DefaultBondLineProps = param_definition_1.ParamDefinition.getDefaultValues(exports.BondLineParams);
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31
  function ignoreBondType(include, exclude, f) {
32
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  return !types_1.BondType.is(include, f) || types_1.BondType.is(exclude, f);
@@ -123,7 +123,7 @@ function ensureReasonableResolution(box, props, maxCells) {
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  if (maxCells === void 0) { maxCells = DefaultMaxCells; }
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  var _a = getVolumeSliceInfo(box, props.resolution, maxCells), area = _a.area, areaCells = _a.areaCells, maxAreaCells = _a.maxAreaCells;
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  var resolution = areaCells > maxAreaCells ? Math.sqrt(area / maxAreaCells) : props.resolution;
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- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, props), { resolution: resolution });
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+ return tslib_1.__assign(tslib_1.__assign({}, props), { resolution: resolution });
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  }
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  exports.ensureReasonableResolution = ensureReasonableResolution;
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  function getConformation(unit) {
@@ -13,7 +13,7 @@ var gpu_1 = require("../../../../mol-math/geometry/gaussian-density/gpu");
13
13
  var common_1 = require("./common");
14
14
  var base_1 = require("../../../../mol-geo/geometry/base");
15
15
  var cpu_1 = require("../../../../mol-math/geometry/gaussian-density/cpu");
16
- exports.GaussianDensityParams = (0, tslib_1.__assign)({ resolution: param_definition_1.ParamDefinition.Numeric(1, { min: 0.1, max: 20, step: 0.1 }, (0, tslib_1.__assign)({ description: 'Grid resolution/cell spacing.' }, base_1.BaseGeometry.CustomQualityParamInfo)), radiusOffset: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 10, step: 0.1 }, { description: 'Extra/offset radius added to the atoms/coarse elements for gaussian calculation. Useful to create coarse, low resolution surfaces.' }), smoothness: param_definition_1.ParamDefinition.Numeric(1.5, { min: 0.5, max: 2.5, step: 0.1 }, { description: 'Smoothness of the gausian surface, lower is smoother.' }) }, common_1.CommonSurfaceParams);
16
+ exports.GaussianDensityParams = tslib_1.__assign({ resolution: param_definition_1.ParamDefinition.Numeric(1, { min: 0.1, max: 20, step: 0.1 }, tslib_1.__assign({ description: 'Grid resolution/cell spacing.' }, base_1.BaseGeometry.CustomQualityParamInfo)), radiusOffset: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 10, step: 0.1 }, { description: 'Extra/offset radius added to the atoms/coarse elements for gaussian calculation. Useful to create coarse, low resolution surfaces.' }), smoothness: param_definition_1.ParamDefinition.Numeric(1.5, { min: 0.5, max: 2.5, step: 0.1 }, { description: 'Smoothness of the gausian surface, lower is smoother.' }) }, common_1.CommonSurfaceParams);
17
17
  exports.DefaultGaussianDensityProps = param_definition_1.ParamDefinition.getDefaultValues(exports.GaussianDensityParams);
18
18
  //
19
19
  function getTextureMaxCells(webgl, structure) {
@@ -27,8 +27,8 @@ function computeUnitGaussianDensity(structure, unit, sizeTheme, props) {
27
27
  var box = unit.lookup3d.boundary.box;
28
28
  var p = (0, common_1.ensureReasonableResolution)(box, props);
29
29
  var _a = (0, common_1.getUnitConformationAndRadius)(structure, unit, sizeTheme, p), position = _a.position, radius = _a.radius;
30
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
31
- return (0, tslib_1.__generator)(this, function (_a) {
30
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
31
+ return tslib_1.__generator(this, function (_a) {
32
32
  switch (_a.label) {
33
33
  case 0: return [4 /*yield*/, (0, cpu_1.GaussianDensityCPU)(ctx, position, box, radius, p)];
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  case 1: return [2 /*return*/, _a.sent()];
@@ -42,8 +42,8 @@ function computeUnitGaussianDensityTexture(structure, unit, sizeTheme, props, we
42
42
  var box = unit.lookup3d.boundary.box;
43
43
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl, structure));
44
44
  var _a = (0, common_1.getUnitConformationAndRadius)(structure, unit, sizeTheme, p), position = _a.position, radius = _a.radius;
45
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
46
- return (0, tslib_1.__generator)(this, function (_a) {
45
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
46
+ return tslib_1.__generator(this, function (_a) {
47
47
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture)(webgl, position, box, radius, p, texture)];
48
48
  });
49
49
  }); });
@@ -54,8 +54,8 @@ function computeUnitGaussianDensityTexture2d(structure, unit, sizeTheme, powerOf
54
54
  var box = unit.lookup3d.boundary.box;
55
55
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl, structure));
56
56
  var _a = (0, common_1.getUnitConformationAndRadius)(structure, unit, sizeTheme, p), position = _a.position, radius = _a.radius;
57
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
58
- return (0, tslib_1.__generator)(this, function (_a) {
57
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
58
+ return tslib_1.__generator(this, function (_a) {
59
59
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture2d)(webgl, position, box, radius, powerOfTwo, p, texture)];
60
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  });
61
61
  }); });
@@ -67,8 +67,8 @@ function computeStructureGaussianDensity(structure, sizeTheme, props) {
67
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  var box = structure.lookup3d.boundary.box;
68
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  var p = (0, common_1.ensureReasonableResolution)(box, props);
69
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  var _a = (0, common_1.getStructureConformationAndRadius)(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly), position = _a.position, radius = _a.radius;
70
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
71
- return (0, tslib_1.__generator)(this, function (_a) {
70
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
71
+ return tslib_1.__generator(this, function (_a) {
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  switch (_a.label) {
73
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  case 0: return [4 /*yield*/, (0, cpu_1.GaussianDensityCPU)(ctx, position, box, radius, p)];
74
74
  case 1: return [2 /*return*/, _a.sent()];
@@ -82,8 +82,8 @@ function computeStructureGaussianDensityTexture(structure, sizeTheme, props, web
82
82
  var box = structure.lookup3d.boundary.box;
83
83
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl));
84
84
  var _a = (0, common_1.getStructureConformationAndRadius)(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly), position = _a.position, radius = _a.radius;
85
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
86
- return (0, tslib_1.__generator)(this, function (_a) {
85
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
86
+ return tslib_1.__generator(this, function (_a) {
87
87
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture)(webgl, position, box, radius, p, texture)];
88
88
  });
89
89
  }); });
@@ -94,8 +94,8 @@ function computeStructureGaussianDensityTexture2d(structure, sizeTheme, powerOfT
94
94
  var box = structure.lookup3d.boundary.box;
95
95
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl));
96
96
  var _a = (0, common_1.getStructureConformationAndRadius)(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly), position = _a.position, radius = _a.radius;
97
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
98
- return (0, tslib_1.__generator)(this, function (_a) {
97
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
98
+ return tslib_1.__generator(this, function (_a) {
99
99
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture2d)(webgl, position, box, radius, powerOfTwo, p, texture)];
100
100
  });
101
101
  }); });
@@ -25,15 +25,15 @@ function getPositionDataAndMaxRadius(structure, unit, sizeTheme, props) {
25
25
  maxRadius = r;
26
26
  radii[j] = r + probeRadius;
27
27
  }
28
- return { position: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, position), { radius: radii }), boundary: boundary, maxRadius: maxRadius };
28
+ return { position: tslib_1.__assign(tslib_1.__assign({}, position), { radius: radii }), boundary: boundary, maxRadius: maxRadius };
29
29
  }
30
30
  function computeUnitMolecularSurface(structure, unit, sizeTheme, props) {
31
31
  var _this = this;
32
32
  var box = unit.lookup3d.boundary.box;
33
33
  var p = (0, common_1.ensureReasonableResolution)(box, props);
34
34
  var _a = getPositionDataAndMaxRadius(structure, unit, sizeTheme, p), position = _a.position, boundary = _a.boundary, maxRadius = _a.maxRadius;
35
- return mol_task_1.Task.create('Molecular Surface', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
36
- return (0, tslib_1.__generator)(this, function (_a) {
35
+ return mol_task_1.Task.create('Molecular Surface', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
36
+ return tslib_1.__generator(this, function (_a) {
37
37
  switch (_a.label) {
38
38
  case 0: return [4 /*yield*/, MolecularSurface(ctx, position, boundary, maxRadius, box, p)];
39
39
  case 1: return [2 /*return*/, _a.sent()];
@@ -44,8 +44,8 @@ function computeUnitMolecularSurface(structure, unit, sizeTheme, props) {
44
44
  exports.computeUnitMolecularSurface = computeUnitMolecularSurface;
45
45
  //
46
46
  function MolecularSurface(ctx, position, boundary, maxRadius, box, props) {
47
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
48
- return (0, tslib_1.__generator)(this, function (_a) {
47
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
48
+ return tslib_1.__generator(this, function (_a) {
49
49
  return [2 /*return*/, (0, molecular_surface_1.calcMolecularSurface)(ctx, position, boundary, maxRadius, box, props)];
50
50
  });
51
51
  });
@@ -13,10 +13,10 @@ var int_1 = require("../../../../mol-data/int");
13
13
  var loci_1 = require("../../../../mol-model/loci");
14
14
  var location_iterator_1 = require("../../../../mol-geo/util/location-iterator");
15
15
  var common_1 = require("./common");
16
- (0, tslib_1.__exportStar)(require("./polymer/backbone"), exports);
17
- (0, tslib_1.__exportStar)(require("./polymer/gap-iterator"), exports);
18
- (0, tslib_1.__exportStar)(require("./polymer/trace-iterator"), exports);
19
- (0, tslib_1.__exportStar)(require("./polymer/curve-segment"), exports);
16
+ tslib_1.__exportStar(require("./polymer/backbone"), exports);
17
+ tslib_1.__exportStar(require("./polymer/gap-iterator"), exports);
18
+ tslib_1.__exportStar(require("./polymer/trace-iterator"), exports);
19
+ tslib_1.__exportStar(require("./polymer/curve-segment"), exports);
20
20
  exports.StandardTension = 0.5;
21
21
  exports.HelixTension = 0.9;
22
22
  exports.StandardShift = 0.5;
@@ -47,7 +47,7 @@ exports.DefaultQualityThresholds = {
47
47
  };
48
48
  function getStructureQuality(structure, tresholds) {
49
49
  if (tresholds === void 0) { tresholds = {}; }
50
- var t = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultQualityThresholds), tresholds);
50
+ var t = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultQualityThresholds), tresholds);
51
51
  var score = structure.elementCount * t.elementCountFactor;
52
52
  if (structure.isCoarseGrained)
53
53
  score *= t.coarseGrainedFactor;
@@ -74,9 +74,9 @@ function createDirectVolume3d(ctx, webgl, volume, directVolume) {
74
74
  exports.createDirectVolume3d = createDirectVolume3d;
75
75
  //
76
76
  function createDirectVolume(ctx, volume, theme, props, directVolume) {
77
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
77
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
78
78
  var runtime, webgl;
79
- return (0, tslib_1.__generator)(this, function (_a) {
79
+ return tslib_1.__generator(this, function (_a) {
80
80
  runtime = ctx.runtime, webgl = ctx.webgl;
81
81
  if (webgl === undefined)
82
82
  throw new Error('DirectVolumeVisual requires `webgl` in props');
@@ -103,7 +103,7 @@ function eachDirectVolume(loci, volume, props, apply) {
103
103
  }
104
104
  exports.eachDirectVolume = eachDirectVolume;
105
105
  //
106
- exports.DirectVolumeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, direct_volume_1.DirectVolume.Params), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, direct_volume_1.DirectVolume.Params.quality), { isEssential: false }) });
106
+ exports.DirectVolumeParams = tslib_1.__assign(tslib_1.__assign({}, direct_volume_1.DirectVolume.Params), { quality: tslib_1.__assign(tslib_1.__assign({}, direct_volume_1.DirectVolume.Params.quality), { isEssential: false }) });
107
107
  function getDirectVolumeParams(ctx, volume) {
108
108
  return param_definition_1.ParamDefinition.clone(exports.DirectVolumeParams);
109
109
  }
@@ -66,9 +66,9 @@ function eachIsosurface(loci, volume, props, apply) {
66
66
  exports.eachIsosurface = eachIsosurface;
67
67
  //
68
68
  function createVolumeIsosurfaceMesh(ctx, volume, theme, props, mesh) {
69
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
69
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
70
70
  var ids, surface, transform;
71
- return (0, tslib_1.__generator)(this, function (_a) {
71
+ return tslib_1.__generator(this, function (_a) {
72
72
  switch (_a.label) {
73
73
  case 0:
74
74
  ctx.runtime.update({ message: 'Marching cubes...' });
@@ -94,7 +94,7 @@ function createVolumeIsosurfaceMesh(ctx, volume, theme, props, mesh) {
94
94
  });
95
95
  }
96
96
  exports.createVolumeIsosurfaceMesh = createVolumeIsosurfaceMesh;
97
- exports.IsosurfaceMeshParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, mesh_1.Mesh.Params), texture_mesh_1.TextureMesh.Params), exports.VolumeIsosurfaceParams), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, mesh_1.Mesh.Params.quality), { isEssential: false }), tryUseGpu: param_definition_1.ParamDefinition.Boolean(true) });
97
+ exports.IsosurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params), texture_mesh_1.TextureMesh.Params), exports.VolumeIsosurfaceParams), { quality: tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params.quality), { isEssential: false }), tryUseGpu: param_definition_1.ParamDefinition.Boolean(true) });
98
98
  function IsosurfaceMeshVisual(materialId) {
99
99
  return (0, representation_1.VolumeVisual)({
100
100
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IsosurfaceMeshParams),
@@ -151,9 +151,9 @@ var VolumeIsosurfaceTexture;
151
151
  VolumeIsosurfaceTexture.get = get;
152
152
  })(VolumeIsosurfaceTexture || (VolumeIsosurfaceTexture = {}));
153
153
  function createVolumeIsosurfaceTextureMesh(ctx, volume, theme, props, textureMesh) {
154
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
154
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
155
155
  var _a, max, min, diff, value, isoLevel, _b, texture, gridDimension, gridTexDim, gridTexScale, transform, axisOrder, buffer, gv, surface;
156
- return (0, tslib_1.__generator)(this, function (_c) {
156
+ return tslib_1.__generator(this, function (_c) {
157
157
  if (!ctx.webgl)
158
158
  throw new Error('webgl context required to create volume isosurface texture-mesh');
159
159
  if (volume.grid.cells.data.length <= 1) {
@@ -198,9 +198,9 @@ function IsosurfaceTextureMeshVisual(materialId) {
198
198
  exports.IsosurfaceTextureMeshVisual = IsosurfaceTextureMeshVisual;
199
199
  //
200
200
  function createVolumeIsosurfaceWireframe(ctx, volume, theme, props, lines) {
201
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
201
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
202
202
  var ids, wireframe, transform;
203
- return (0, tslib_1.__generator)(this, function (_a) {
203
+ return tslib_1.__generator(this, function (_a) {
204
204
  switch (_a.label) {
205
205
  case 0:
206
206
  ctx.runtime.update({ message: 'Marching cubes...' });
@@ -221,7 +221,7 @@ function createVolumeIsosurfaceWireframe(ctx, volume, theme, props, lines) {
221
221
  });
222
222
  }
223
223
  exports.createVolumeIsosurfaceWireframe = createVolumeIsosurfaceWireframe;
224
- exports.IsosurfaceWireframeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, lines_1.Lines.Params), exports.VolumeIsosurfaceParams), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, lines_1.Lines.Params.quality), { isEssential: false }), sizeFactor: param_definition_1.ParamDefinition.Numeric(3, { min: 0, max: 10, step: 0.1 }) });
224
+ exports.IsosurfaceWireframeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, lines_1.Lines.Params), exports.VolumeIsosurfaceParams), { quality: tslib_1.__assign(tslib_1.__assign({}, lines_1.Lines.Params.quality), { isEssential: false }), sizeFactor: param_definition_1.ParamDefinition.Numeric(3, { min: 0, max: 10, step: 0.1 }) });
225
225
  function IsosurfaceWireframeVisual(materialId) {
226
226
  return (0, representation_1.VolumeVisual)({
227
227
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IsosurfaceWireframeParams),
@@ -242,7 +242,7 @@ var IsosurfaceVisuals = {
242
242
  'solid': function (ctx, getParams) { return (0, representation_1.VolumeRepresentation)('Isosurface mesh', ctx, getParams, IsosurfaceVisual, getLoci); },
243
243
  'wireframe': function (ctx, getParams) { return (0, representation_1.VolumeRepresentation)('Isosurface wireframe', ctx, getParams, IsosurfaceWireframeVisual, getLoci); },
244
244
  };
245
- exports.IsosurfaceParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.IsosurfaceMeshParams), exports.IsosurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['solid'], param_definition_1.ParamDefinition.objectToOptions(IsosurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
245
+ exports.IsosurfaceParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, exports.IsosurfaceMeshParams), exports.IsosurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['solid'], param_definition_1.ParamDefinition.objectToOptions(IsosurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
246
246
  function getIsosurfaceParams(ctx, volume) {
247
247
  var p = param_definition_1.ParamDefinition.clone(exports.IsosurfaceParams);
248
248
  p.isoValue = volume_1.Volume.createIsoValueParam(volume_1.Volume.IsoValue.relative(2), volume.grid.stats);
@@ -13,7 +13,7 @@ var object_1 = require("../../mol-util/object");
13
13
  var slice_1 = require("./slice");
14
14
  var direct_volume_1 = require("./direct-volume");
15
15
  var VolumeRepresentationRegistry = /** @class */ (function (_super) {
16
- (0, tslib_1.__extends)(VolumeRepresentationRegistry, _super);
16
+ tslib_1.__extends(VolumeRepresentationRegistry, _super);
17
17
  function VolumeRepresentationRegistry() {
18
18
  var _this = _super.call(this) || this;
19
19
  (0, object_1.objectForEach)(VolumeRepresentationRegistry.BuiltIn, function (p, k) {
@@ -136,9 +136,9 @@ function VolumeVisual(builder, materialId) {
136
136
  get geometryVersion() { return geometryVersion; },
137
137
  createOrUpdate: function (ctx, theme, props, volume) {
138
138
  if (props === void 0) { props = {}; }
139
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
139
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
140
140
  var newGeometry;
141
- return (0, tslib_1.__generator)(this, function (_a) {
141
+ return tslib_1.__generator(this, function (_a) {
142
142
  prepareUpdate(theme, props, volume || currentVolume);
143
143
  if (updateState.createGeometry) {
144
144
  newGeometry = createGeometry(ctx, newVolume, newTheme, newProps, geometry);
@@ -198,7 +198,7 @@ exports.VolumeVisual = VolumeVisual;
198
198
  function VolumeRepresentationProvider(p) { return p; }
199
199
  exports.VolumeRepresentationProvider = VolumeRepresentationProvider;
200
200
  //
201
- exports.VolumeParams = (0, tslib_1.__assign)({}, base_1.BaseGeometry.Params);
201
+ exports.VolumeParams = tslib_1.__assign({}, base_1.BaseGeometry.Params);
202
202
  function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci) {
203
203
  var version = 0;
204
204
  var webgl = ctx.webgl;
@@ -223,10 +223,10 @@ function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci) {
223
223
  }
224
224
  var qualityProps = (0, util_1.getQualityProps)(Object.assign({}, _props, props), _volume);
225
225
  Object.assign(_props, props, qualityProps);
226
- return mol_task_1.Task.create('Creating or updating VolumeRepresentation', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
226
+ return mol_task_1.Task.create('Creating or updating VolumeRepresentation', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
227
227
  var promise;
228
228
  var _a;
229
- return (0, tslib_1.__generator)(this, function (_b) {
229
+ return tslib_1.__generator(this, function (_b) {
230
230
  switch (_b.label) {
231
231
  case 0:
232
232
  if (!visual) {
@@ -21,9 +21,9 @@ var color_2 = require("../../mol-theme/color");
21
21
  var number_packing_1 = require("../../mol-util/number-packing");
22
22
  var util_2 = require("./util");
23
23
  function createImage(ctx, volume, theme, props, image) {
24
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
24
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
25
25
  var dim, isoValue, _a, space, data, _b, min, max, isoVal, color, _c, r, g, b, _d, width, height, x, y, z, x0, y0, z0, nx, ny, nz, corners, imageArray, groupArray, i, iy, ix, iz, val, normVal, imageTexture, groupTexture, transform;
26
- return (0, tslib_1.__generator)(this, function (_e) {
26
+ return tslib_1.__generator(this, function (_e) {
27
27
  dim = props.dimension.name, isoValue = props.isoValue;
28
28
  _a = volume.grid.cells, space = _a.space, data = _a.data;
29
29
  _b = volume.grid.stats, min = _b.min, max = _b.max;
@@ -141,7 +141,7 @@ function eachSlice(loci, volume, props, apply) {
141
141
  return (0, util_2.eachVolumeLoci)(loci, volume, undefined, apply);
142
142
  }
143
143
  //
144
- exports.SliceParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, image_1.Image.Params), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, image_1.Image.Params.quality), { isEssential: false }), dimension: param_definition_1.ParamDefinition.MappedStatic('x', {
144
+ exports.SliceParams = tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Params), { quality: tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Params.quality), { isEssential: false }), dimension: param_definition_1.ParamDefinition.MappedStatic('x', {
145
145
  x: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
146
146
  y: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
147
147
  z: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
@@ -171,7 +171,7 @@ function SliceVisual(materialId) {
171
171
  !volume_1.Volume.IsoValue.areSame(newProps.isoValue, currentProps.isoValue, volume.grid.stats) ||
172
172
  !color_2.ColorTheme.areEqual(newTheme.color, currentTheme.color));
173
173
  },
174
- geometryUtils: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, image_1.Image.Utils), { createRenderableState: function (props) {
174
+ geometryUtils: tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Utils), { createRenderableState: function (props) {
175
175
  var state = image_1.Image.Utils.createRenderableState(props);
176
176
  updateRenderableState(state, props);
177
177
  return state;
@@ -9,6 +9,7 @@ exports.parseMolScript = void 0;
9
9
  var monadic_parser_1 = require("../../mol-util/monadic-parser");
10
10
  var expression_1 = require("./expression");
11
11
  var builder_1 = require("./builder");
12
+ var type_helpers_1 = require("../../mol-util/type-helpers");
12
13
  function parseMolScript(input) {
13
14
  return Language.parse(input);
14
15
  }
@@ -63,15 +64,15 @@ var Language;
63
64
  case '[': return builder_1.MolScriptBuilder.core.type.list(withoutComments(expr.nodes).map(visitExpr));
64
65
  case '{': return builder_1.MolScriptBuilder.core.type.set(withoutComments(expr.nodes).map(visitExpr));
65
66
  case '(': {
67
+ if (expr.nodes[0].kind === 'comment')
68
+ throw new Error('Invalid expression');
66
69
  var head = visitExpr(expr.nodes[0]);
67
70
  return expression_1.Expression.Apply(head, getArgs(expr.nodes));
68
71
  }
72
+ default: (0, type_helpers_1.assertUnreachable)(expr.bracket);
69
73
  }
70
- return 0;
71
- }
72
- default: {
73
- throw new Error('should not happen');
74
74
  }
75
+ default: (0, type_helpers_1.assertUnreachable)(expr);
75
76
  }
76
77
  }
77
78
  function getArgs(nodes) {
@@ -102,6 +103,8 @@ var Language;
102
103
  }
103
104
  if (i >= _i)
104
105
  throw new Error("There must be a value foolowed a named arg ':".concat(name_1, "'."));
106
+ if (nodes[i].kind === 'comment')
107
+ throw new Error('Invalid expression');
105
108
  args[name_1] = visitExpr(nodes[i]);
106
109
  if (isNaN(+name_1))
107
110
  allNumeric = false;
@@ -8,7 +8,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.internal = void 0;
9
9
  var tslib_1 = require("tslib");
10
10
  var type_1 = require("../type");
11
- var Struct = (0, tslib_1.__importStar)(require("./structure-query"));
11
+ var Struct = tslib_1.__importStar(require("./structure-query"));
12
12
  var symbol_1 = require("../symbol");
13
13
  var helpers_1 = require("../helpers");
14
14
  var generator = {
@@ -9,7 +9,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
9
9
  exports.structureQuery = exports.Types = void 0;
10
10
  var tslib_1 = require("tslib");
11
11
  var type_1 = require("../type");
12
- var Core = (0, tslib_1.__importStar)(require("./core"));
12
+ var Core = tslib_1.__importStar(require("./core"));
13
13
  var symbol_1 = require("../symbol");
14
14
  var helpers_1 = require("../helpers");
15
15
  var Types;
@@ -6,5 +6,5 @@
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  var tslib_1 = require("tslib");
9
- (0, tslib_1.__exportStar)(require("./base"), exports);
9
+ tslib_1.__exportStar(require("./base"), exports);
10
10
  require("./table");
@@ -29,7 +29,7 @@ function Macro(symbol, translate) {
29
29
  }
30
30
  symbol.info.namespace = 'molscript-macro';
31
31
  symbol.id = "molscript-macro.".concat(symbol.info.name);
32
- return { kind: 'macro', symbol: symbol, translate: translate, aliases: (0, tslib_1.__spreadArray)([symbol.info.name], aliases, true) };
32
+ return { kind: 'macro', symbol: symbol, translate: translate, aliases: tslib_1.__spreadArray([symbol.info.name], aliases, true) };
33
33
  }
34
34
  function isMolScriptSymbol(x) {
35
35
  return x.kind === 'alias' || x.kind === 'macro';
@@ -41,7 +41,7 @@ var StateAction;
41
41
  var Builder;
42
42
  (function (Builder) {
43
43
  function root(info) {
44
- return function (def) { return create((0, tslib_1.__assign)({ from: info.from instanceof Array
44
+ return function (def) { return create(tslib_1.__assign({ from: info.from instanceof Array
45
45
  ? info.from
46
46
  : !!info.from ? [info.from] : [], display: typeof info.display === 'string'
47
47
  ? { name: info.display }
@@ -6,11 +6,11 @@
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  var tslib_1 = require("tslib");
9
- (0, tslib_1.__exportStar)(require("./object"), exports);
10
- (0, tslib_1.__exportStar)(require("./tree"), exports);
11
- (0, tslib_1.__exportStar)(require("./state"), exports);
12
- (0, tslib_1.__exportStar)(require("./state/builder"), exports);
13
- (0, tslib_1.__exportStar)(require("./state/selection"), exports);
14
- (0, tslib_1.__exportStar)(require("./transformer"), exports);
15
- (0, tslib_1.__exportStar)(require("./transform"), exports);
16
- (0, tslib_1.__exportStar)(require("./action"), exports);
9
+ tslib_1.__exportStar(require("./object"), exports);
10
+ tslib_1.__exportStar(require("./tree"), exports);
11
+ tslib_1.__exportStar(require("./state"), exports);
12
+ tslib_1.__exportStar(require("./state/builder"), exports);
13
+ tslib_1.__exportStar(require("./state/selection"), exports);
14
+ tslib_1.__exportStar(require("./transformer"), exports);
15
+ tslib_1.__exportStar(require("./transform"), exports);
16
+ tslib_1.__exportStar(require("./action"), exports);
@@ -145,7 +145,7 @@ var StateBuilder;
145
145
  return to;
146
146
  }
147
147
  else {
148
- return this.apply(tr, params, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, options), { ref: ref }));
148
+ return this.apply(tr, params, tslib_1.__assign(tslib_1.__assign({}, options), { ref: ref }));
149
149
  }
150
150
  };
151
151
  /**
@@ -170,7 +170,7 @@ var StateBuilder;
170
170
  return to;
171
171
  }
172
172
  }
173
- var t = tr.apply(applyRoot, params, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, options), { tags: tagsUnion(tags, options && options.tags) }));
173
+ var t = tr.apply(applyRoot, params, tslib_1.__assign(tslib_1.__assign({}, options), { tags: tagsUnion(tags, options && options.tags) }));
174
174
  this.state.tree.add(t);
175
175
  this.editInfo.count++;
176
176
  this.editInfo.lastUpdate = t.ref;
@@ -49,7 +49,7 @@ var StateSelection;
49
49
  for (var _i = 0; _i < arguments.length; _i++) {
50
50
  args[_i] = arguments[_i];
51
51
  }
52
- return f.call.apply(f, (0, tslib_1.__spreadArray)([void 0, this], args, false));
52
+ return f.call.apply(f, tslib_1.__spreadArray([void 0, this], args, false));
53
53
  };
54
54
  }
55
55
  function build(compile) {
@@ -79,7 +79,7 @@ var State = /** @class */ (function () {
79
79
  sourceRef: void 0,
80
80
  obj: rootObject,
81
81
  status: 'ok',
82
- state: (0, tslib_1.__assign)({}, root.state),
82
+ state: tslib_1.__assign({}, root.state),
83
83
  errorText: void 0,
84
84
  params: {
85
85
  definition: {},
@@ -142,9 +142,9 @@ var State = /** @class */ (function () {
142
142
  });
143
143
  State.prototype.undo = function () {
144
144
  var _this = this;
145
- return mol_task_1.Task.create('Undo', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
145
+ return mol_task_1.Task.create('Undo', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
146
146
  var e;
147
- return (0, tslib_1.__generator)(this, function (_a) {
147
+ return tslib_1.__generator(this, function (_a) {
148
148
  switch (_a.label) {
149
149
  case 0:
150
150
  e = this.history.shift();
@@ -227,9 +227,9 @@ var State = /** @class */ (function () {
227
227
  /** Apply series of updates to the state. If any of them fail, revert to the original state. */
228
228
  State.prototype.transaction = function (edits, options) {
229
229
  var _this = this;
230
- return mol_task_1.Task.create('State Transaction', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
230
+ return mol_task_1.Task.create('State Transaction', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
231
231
  var isNested, snapshot, restored, e_1;
232
- return (0, tslib_1.__generator)(this, function (_a) {
232
+ return tslib_1.__generator(this, function (_a) {
233
233
  switch (_a.label) {
234
234
  case 0:
235
235
  isNested = this.inTransaction;
@@ -303,9 +303,9 @@ var State = /** @class */ (function () {
303
303
  State.prototype.updateTree = function (tree, options) {
304
304
  var _this = this;
305
305
  var params = { tree: tree, options: options };
306
- return mol_task_1.Task.create('Update Tree', function (taskCtx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
306
+ return mol_task_1.Task.create('Update Tree', function (taskCtx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
307
307
  var removed, snapshot, reverted, ret, _a;
308
- return (0, tslib_1.__generator)(this, function (_b) {
308
+ return tslib_1.__generator(this, function (_b) {
309
309
  switch (_b.label) {
310
310
  case 0: return [4 /*yield*/, this.updateQueue.enqueue(params)];
311
311
  case 1:
@@ -365,9 +365,9 @@ var State = /** @class */ (function () {
365
365
  });
366
366
  };
367
367
  State.prototype._revertibleTreeUpdate = function (taskCtx, params, options) {
368
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
368
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
369
369
  var old, ret, revert;
370
- return (0, tslib_1.__generator)(this, function (_a) {
370
+ return tslib_1.__generator(this, function (_a) {
371
371
  switch (_a.label) {
372
372
  case 0:
373
373
  old = this.tree;
@@ -385,9 +385,9 @@ var State = /** @class */ (function () {
385
385
  });
386
386
  };
387
387
  State.prototype._updateTree = function (taskCtx, params) {
388
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
388
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
389
389
  var updated, ctx, cell;
390
- return (0, tslib_1.__generator)(this, function (_a) {
390
+ return tslib_1.__generator(this, function (_a) {
391
391
  switch (_a.label) {
392
392
  case 0:
393
393
  updated = false;
@@ -428,7 +428,7 @@ var State = /** @class */ (function () {
428
428
  cells: this.cells,
429
429
  spine: this.spine,
430
430
  results: [],
431
- options: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, StateUpdateDefaultOptions), options),
431
+ options: tslib_1.__assign(tslib_1.__assign({}, StateUpdateDefaultOptions), options),
432
432
  changed: false,
433
433
  hadError: false,
434
434
  wasAborted: false,
@@ -463,9 +463,9 @@ var StateUpdateDefaultOptions = {
463
463
  canUndo: false
464
464
  };
465
465
  function update(ctx) {
466
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
466
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
467
467
  var fastTrack, deletes, deletedObjects, roots, current, hasCurrent, _i, deletes_1, d, newCurrent_1, i, cell, _a, deletes_2, d, cell, obj, init, _b, _c, cell, i, d, parent_1, _d, _e, cell, _f, roots_1, root, newCurrent, _g, _h, update_1, transform, current, currentCell;
468
- return (0, tslib_1.__generator)(this, function (_j) {
468
+ return tslib_1.__generator(this, function (_j) {
469
469
  switch (_j.label) {
470
470
  case 0:
471
471
  fastTrack = !!(ctx.editInfo && ctx.editInfo.count === 1 && ctx.editInfo.lastUpdate && ctx.editInfo.sourceTree === ctx.oldTree);
@@ -658,7 +658,7 @@ function addCellsVisitor(transform, _, _a) {
658
658
  transform: transform,
659
659
  sourceRef: void 0,
660
660
  status: 'pending',
661
- state: (0, tslib_1.__assign)({}, transform.state),
661
+ state: tslib_1.__assign({}, transform.state),
662
662
  errorText: void 0,
663
663
  params: void 0,
664
664
  paramsNormalizedVersion: '',
@@ -782,9 +782,9 @@ function doError(ctx, ref, errorObject, silent) {
782
782
  }
783
783
  var ParentNullErrorText = 'Parent is null';
784
784
  function updateSubtree(ctx, root) {
785
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
785
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
786
786
  var isNull, start, update_2, time, e_2, children, next;
787
- return (0, tslib_1.__generator)(this, function (_a) {
787
+ return tslib_1.__generator(this, function (_a) {
788
788
  switch (_a.label) {
789
789
  case 0:
790
790
  setCellStatus(ctx, root, 'processing');
@@ -864,9 +864,9 @@ function resolveParams(ctx, transform, src, cell) {
864
864
  }
865
865
  function updateNode(ctx, currentRef) {
866
866
  var _a;
867
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
867
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
868
868
  var oldTree, tree, current, transform, parentCell, parent, params, obj, oldParams, oldCache, oldData, newParams, updateKind, _b, _c, oldObj, newObj;
869
- return (0, tslib_1.__generator)(this, function (_d) {
869
+ return tslib_1.__generator(this, function (_d) {
870
870
  switch (_d.label) {
871
871
  case 0:
872
872
  oldTree = ctx.oldTree, tree = ctx.tree;
@@ -978,8 +978,8 @@ function createObject(ctx, cell, transformer, a, params) {
978
978
  return runTask(transformer.definition.apply({ a: a, params: params, cache: cell.cache, spine: ctx.spine, dependencies: resolveDependencies(cell) }, ctx.parent.globalContext), ctx.taskCtx);
979
979
  }
980
980
  function updateObject(ctx, cell, transformer, a, b, oldParams, newParams) {
981
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
982
- return (0, tslib_1.__generator)(this, function (_a) {
981
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
982
+ return tslib_1.__generator(this, function (_a) {
983
983
  if (!transformer.definition.update) {
984
984
  return [2 /*return*/, transformer_1.StateTransformer.UpdateResult.Recreate];
985
985
  }
@@ -102,13 +102,13 @@ var Transform;
102
102
  }
103
103
  Transform.create = create;
104
104
  function withParams(t, params) {
105
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, t), { params: params, version: mol_util_1.UUID.create22() });
105
+ return tslib_1.__assign(tslib_1.__assign({}, t), { params: params, version: mol_util_1.UUID.create22() });
106
106
  }
107
107
  Transform.withParams = withParams;
108
108
  function withState(t, state) {
109
109
  if (!state)
110
110
  return t;
111
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, t), { state: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, t.state), state) });
111
+ return tslib_1.__assign(tslib_1.__assign({}, t), { state: tslib_1.__assign(tslib_1.__assign({}, t.state), state) });
112
112
  }
113
113
  Transform.withState = withState;
114
114
  function withTags(t, newTags) {
@@ -120,11 +120,11 @@ var Transform;
120
120
  else
121
121
  tags.sort();
122
122
  }
123
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, t), { tags: tags, version: mol_util_1.UUID.create22() });
123
+ return tslib_1.__assign(tslib_1.__assign({}, t), { tags: tags, version: mol_util_1.UUID.create22() });
124
124
  }
125
125
  Transform.withTags = withTags;
126
126
  function withParent(t, parent) {
127
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, t), { parent: parent, version: mol_util_1.UUID.create22() });
127
+ return tslib_1.__assign(tslib_1.__assign({}, t), { parent: parent, version: mol_util_1.UUID.create22() });
128
128
  }
129
129
  Transform.withParent = withParent;
130
130
  function createRoot(state) {