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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  625. package/lib/commonjs/servers/volume/server/query/identify.js +2 -2
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  628. package/lib/examples/alpha-orbitals/controls.js +2 -2
  629. package/lib/examples/basic-wrapper/controls.js +1 -1
  630. package/lib/examples/proteopedia-wrapper/ui/controls.js +1 -1
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  637. package/lib/extensions/zenodo/index.d.ts +7 -0
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  639. package/lib/extensions/zenodo/ui.d.ts +61 -0
  640. package/lib/extensions/zenodo/ui.js +303 -0
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  643. package/lib/mol-canvas3d/helper/handle-helper.js +1 -1
  644. package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
  645. package/lib/mol-geo/geometry/text/text-builder.js +2 -1
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  647. package/lib/mol-gl/webgl/buffer.js +2 -3
  648. package/lib/mol-io/common/binary-cif/classifier.js +3 -2
  649. package/lib/mol-io/common/binary-cif/decoder.js +4 -3
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  653. package/lib/mol-io/common/netcdf/reader.js +456 -0
  654. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  655. package/lib/mol-io/reader/nctraj/parser.d.ts +18 -0
  656. package/lib/mol-io/reader/nctraj/parser.js +97 -0
  657. package/lib/mol-io/reader/prmtop/parser.d.ts +58 -0
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  661. package/lib/mol-io/reader/trr/parser.d.ts +22 -0
  662. package/lib/mol-io/reader/trr/parser.js +142 -0
  663. package/lib/mol-io/writer/cif/encoder.js +2 -1
  664. package/lib/mol-model/sequence/sequence.js +2 -1
  665. package/lib/mol-model/structure/model/types/saccharides.d.ts +8 -0
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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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  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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  691. package/lib/mol-model-formats/structure/property/symmetry.js +11 -1
  692. package/lib/mol-model-formats/structure/psf.js +3 -1
  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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  699. package/lib/mol-model-formats/structure/xyz.js +2 -2
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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
  768. package/lib/mol-util/file-info.js +2 -10
  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
@@ -25,8 +25,8 @@ var GeometryParams = {
25
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  accOutOfPlaneAngleMax: param_definition_1.ParamDefinition.Numeric(90, { min: 0, max: 180, step: 1 }),
26
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  donOutOfPlaneAngleMax: param_definition_1.ParamDefinition.Numeric(45, { min: 0, max: 180, step: 1 }),
27
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  };
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- var HydrogenBondsParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, GeometryParams), { water: param_definition_1.ParamDefinition.Boolean(false, { description: 'Include water-to-water hydrogen bonds' }), sulfurDistanceMax: param_definition_1.ParamDefinition.Numeric(4.1, { min: 1, max: 5, step: 0.1 }) });
29
- var WeakHydrogenBondsParams = (0, tslib_1.__assign)({}, GeometryParams);
28
+ var HydrogenBondsParams = tslib_1.__assign(tslib_1.__assign({}, GeometryParams), { water: param_definition_1.ParamDefinition.Boolean(false, { description: 'Include water-to-water hydrogen bonds' }), sulfurDistanceMax: param_definition_1.ParamDefinition.Numeric(4.1, { min: 1, max: 5, step: 0.1 }) });
29
+ var WeakHydrogenBondsParams = tslib_1.__assign({}, GeometryParams);
30
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  //
31
31
  // Geometric characteristics of hydrogen bonds involving sulfur atoms in proteins
32
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  // https://doi.org/10.1002/prot.22327
@@ -171,7 +171,7 @@ function getGeometryOptions(props) {
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  };
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  }
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  function getHydrogenBondsOptions(props) {
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- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, getGeometryOptions(props)), { includeWater: props.water, maxSulfurDistSq: props.sulfurDistanceMax * props.sulfurDistanceMax, maxDistSq: props.distanceMax * props.distanceMax });
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+ return tslib_1.__assign(tslib_1.__assign({}, getGeometryOptions(props)), { includeWater: props.water, maxSulfurDistSq: props.sulfurDistanceMax * props.sulfurDistanceMax, maxDistSq: props.distanceMax * props.distanceMax });
175
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  }
176
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  var deg120InRad = (0, misc_1.degToRad)(120);
177
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  function checkGeometry(structure, don, acc, opts) {
@@ -143,12 +143,12 @@ exports.InteractionsParams = {
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  contacts: param_definition_1.ParamDefinition.Group(contacts_1.ContactsParams, { label: 'Advanced Options' }),
144
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  };
145
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  function computeInteractions(ctx, structure, props) {
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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 () {
147
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  var p, contactTesters, requiredFeatures, featureProviders, unitsFeatures, unitsContacts, i, il, group, features, intraUnitContacts, j, jl, u, contacts, interactions;
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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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- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsParams)), props);
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+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsParams)), props);
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  return [4 /*yield*/, valence_model_1.ValenceModelProvider.attach(ctx, structure)];
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  case 1:
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  _a.sent();
@@ -11,7 +11,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
11
11
  var interactions_1 = require("./interactions/interactions");
12
12
  var custom_structure_property_1 = require("../common/custom-structure-property");
13
13
  var custom_property_1 = require("../../mol-model/custom-property");
14
- exports.InteractionsParams = (0, tslib_1.__assign)({}, interactions_1.InteractionsParams);
14
+ exports.InteractionsParams = tslib_1.__assign({}, interactions_1.InteractionsParams);
15
15
  exports.InteractionsProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
16
16
  label: 'Interactions',
17
17
  descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
@@ -22,13 +22,13 @@ exports.InteractionsProvider = custom_structure_property_1.CustomStructureProper
22
22
  defaultParams: exports.InteractionsParams,
23
23
  getParams: function (data) { return exports.InteractionsParams; },
24
24
  isApplicable: function (data) { return !data.isCoarseGrained; },
25
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
25
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
26
26
  var p;
27
27
  var _a;
28
- return (0, tslib_1.__generator)(this, function (_b) {
28
+ return tslib_1.__generator(this, function (_b) {
29
29
  switch (_b.label) {
30
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  case 0:
31
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsParams)), props);
31
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsParams)), props);
32
32
  _a = {};
33
33
  return [4 /*yield*/, (0, interactions_1.computeInteractions)(ctx, data, p)];
34
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  case 1: return [2 /*return*/, (_a.value = _b.sent(), _a)];
@@ -87,7 +87,7 @@ function createInterUnitInteractionCylinderMesh(ctx, structure, theme, props, me
87
87
  }
88
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  return m;
89
89
  }
90
- exports.InteractionsInterUnitParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
90
+ exports.InteractionsInterUnitParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
91
91
  function InteractionsInterUnitVisual(materialId) {
92
92
  return (0, complex_visual_1.ComplexMeshVisual)({
93
93
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsInterUnitParams),
@@ -20,9 +20,9 @@ var location_iterator_1 = require("../../../mol-geo/util/location-iterator");
20
20
  var interactions_2 = require("../interactions/interactions");
21
21
  var geometry_1 = require("../../../mol-math/geometry");
22
22
  function createIntraUnitInteractionsCylinderMesh(ctx, unit, structure, theme, props, mesh) {
23
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
23
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
24
24
  var child, childUnit, location, interactions, features, contacts, x, y, z, members, offsets, edgeCount, a, b, flag, sizeFactor, builderProps, _a, m, boundingSphere, sphere;
25
- return (0, tslib_1.__generator)(this, function (_b) {
25
+ return tslib_1.__generator(this, function (_b) {
26
26
  if (!structure_1.Unit.isAtomic(unit))
27
27
  return [2 /*return*/, mesh_1.Mesh.createEmpty(mesh)];
28
28
  child = structure.child;
@@ -78,7 +78,7 @@ function createIntraUnitInteractionsCylinderMesh(ctx, unit, structure, theme, pr
78
78
  });
79
79
  });
80
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  }
81
- exports.InteractionsIntraUnitParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
81
+ exports.InteractionsIntraUnitParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
82
82
  function InteractionsIntraUnitVisual(materialId) {
83
83
  return (0, units_visual_1.UnitsMeshVisual)({
84
84
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsIntraUnitParams),
@@ -18,7 +18,7 @@ var InteractionsVisuals = {
18
18
  'intra-unit': function (ctx, getParams) { return (0, representation_2.UnitsRepresentation)('Intra-unit interactions cylinder', ctx, getParams, interactions_intra_unit_cylinder_1.InteractionsIntraUnitVisual); },
19
19
  'inter-unit': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Inter-unit interactions cylinder', ctx, getParams, interactions_inter_unit_cylinder_1.InteractionsInterUnitVisual); },
20
20
  };
21
- exports.InteractionsParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, interactions_intra_unit_cylinder_1.InteractionsIntraUnitParams), interactions_inter_unit_cylinder_1.InteractionsInterUnitParams), { unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0.01, max: 1, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['intra-unit', 'inter-unit'], param_definition_1.ParamDefinition.objectToOptions(InteractionsVisuals)) });
21
+ exports.InteractionsParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, interactions_intra_unit_cylinder_1.InteractionsIntraUnitParams), interactions_inter_unit_cylinder_1.InteractionsInterUnitParams), { unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0.01, max: 1, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['intra-unit', 'inter-unit'], param_definition_1.ParamDefinition.objectToOptions(InteractionsVisuals)) });
22
22
  function getInteractionParams(ctx, structure) {
23
23
  return param_definition_1.ParamDefinition.clone(exports.InteractionsParams);
24
24
  }
@@ -35,9 +35,9 @@ exports.DSSPComputationParams = {
35
35
  oldOrdering: param_definition_1.ParamDefinition.Boolean(true, { description: 'Alpha-helices are preferred over 3-10 helices' })
36
36
  };
37
37
  function computeUnitDSSP(unit, params) {
38
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
38
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
39
39
  var proteinInfo, residueIndices, lookup3d, hbonds, residueCount, flags, torsionAngles, ladders, bridges, getResidueFlag, getFlagName, ctx, assignment, type, keys, elements, getIndex, i, il, assign, flag;
40
- return (0, tslib_1.__generator)(this, function (_a) {
40
+ return tslib_1.__generator(this, function (_a) {
41
41
  proteinInfo = (0, protein_info_1.getUnitProteinInfo)(unit);
42
42
  residueIndices = proteinInfo.residueIndices;
43
43
  lookup3d = (0, trace_lookup_1.calcUnitProteinTraceLookup3D)(unit, residueIndices);
@@ -46,13 +46,13 @@ exports.SecondaryStructureProvider = custom_structure_property_1.CustomStructure
46
46
  defaultParams: exports.SecondaryStructureParams,
47
47
  getParams: getSecondaryStructureParams,
48
48
  isApplicable: function (data) { return true; },
49
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
49
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
50
50
  var p, _a;
51
51
  var _b, _c;
52
- return (0, tslib_1.__generator)(this, function (_d) {
52
+ return tslib_1.__generator(this, function (_d) {
53
53
  switch (_d.label) {
54
54
  case 0:
55
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.SecondaryStructureParams)), props);
55
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.SecondaryStructureParams)), props);
56
56
  _a = p.type.name;
57
57
  switch (_a) {
58
58
  case 'dssp': return [3 /*break*/, 1];
@@ -73,9 +73,9 @@ exports.SecondaryStructureProvider = custom_structure_property_1.CustomStructure
73
73
  }); }
74
74
  });
75
75
  function computeDssp(structure, props) {
76
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
76
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
77
77
  var map, i, il, u, secondaryStructure;
78
- return (0, tslib_1.__generator)(this, function (_a) {
78
+ return tslib_1.__generator(this, function (_a) {
79
79
  switch (_a.label) {
80
80
  case 0:
81
81
  map = new Map();
@@ -99,9 +99,9 @@ function computeDssp(structure, props) {
99
99
  });
100
100
  }
101
101
  function computeModel(structure) {
102
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
102
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
103
103
  var map, i, il, u, secondaryStructure;
104
- return (0, tslib_1.__generator)(this, function (_a) {
104
+ return tslib_1.__generator(this, function (_a) {
105
105
  map = new Map();
106
106
  for (i = 0, il = structure.unitSymmetryGroups.length; i < il; ++i) {
107
107
  u = structure.unitSymmetryGroups[i].units[0];
@@ -11,7 +11,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
11
11
  var valence_model_1 = require("./chemistry/valence-model");
12
12
  var custom_structure_property_1 = require("../common/custom-structure-property");
13
13
  var custom_property_1 = require("../../mol-model/custom-property");
14
- exports.ValenceModelParams = (0, tslib_1.__assign)({}, valence_model_1.ValenceModelParams);
14
+ exports.ValenceModelParams = tslib_1.__assign({}, valence_model_1.ValenceModelParams);
15
15
  exports.ValenceModelProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
16
16
  label: 'Valence Model',
17
17
  descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
@@ -22,13 +22,13 @@ exports.ValenceModelProvider = custom_structure_property_1.CustomStructureProper
22
22
  defaultParams: exports.ValenceModelParams,
23
23
  getParams: function (data) { return exports.ValenceModelParams; },
24
24
  isApplicable: function (data) { return true; },
25
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
25
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
26
26
  var p;
27
27
  var _a;
28
- return (0, tslib_1.__generator)(this, function (_b) {
28
+ return tslib_1.__generator(this, function (_b) {
29
29
  switch (_b.label) {
30
30
  case 0:
31
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.ValenceModelParams)), props);
31
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.ValenceModelParams)), props);
32
32
  _a = {};
33
33
  return [4 /*yield*/, (0, valence_model_1.calcValenceModel)(ctx.runtime, data, p)];
34
34
  case 1: return [2 /*return*/, (_a.value = _b.sent(), _a)];
@@ -27,8 +27,8 @@ exports.CrossLinkRestraintProvider = custom_structure_property_1.CustomStructure
27
27
  defaultParams: {},
28
28
  getParams: function (data) { return ({}); },
29
29
  isApplicable: function (data) { return data.models.some(function (m) { return !!format_1.ModelCrossLinkRestraint.Provider.get(m); }); },
30
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
31
- return (0, tslib_1.__generator)(this, function (_a) {
30
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
31
+ return tslib_1.__generator(this, function (_a) {
32
32
  return [2 /*return*/, { value: extractCrossLinkRestraints(data) }];
33
33
  });
34
34
  }); }
@@ -50,7 +50,7 @@ function createCrossLinkRestraintCylinderMesh(ctx, structure, theme, props, mesh
50
50
  }
51
51
  return m;
52
52
  }
53
- exports.CrossLinkRestraintCylinderParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 10, step: 0.1 }) });
53
+ exports.CrossLinkRestraintCylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 10, step: 0.1 }) });
54
54
  function CrossLinkRestraintVisual(materialId) {
55
55
  return (0, complex_visual_1.ComplexMeshVisual)({
56
56
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CrossLinkRestraintCylinderParams),
@@ -109,7 +109,7 @@ function eachCrossLink(loci, structure, apply) {
109
109
  var CrossLinkRestraintVisuals = {
110
110
  'cross-link-restraint': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Cross-link restraint', ctx, getParams, CrossLinkRestraintVisual); },
111
111
  };
112
- exports.CrossLinkRestraintParams = (0, tslib_1.__assign)({}, exports.CrossLinkRestraintCylinderParams);
112
+ exports.CrossLinkRestraintParams = tslib_1.__assign({}, exports.CrossLinkRestraintCylinderParams);
113
113
  function getCrossLinkRestraintParams(ctx, structure) {
114
114
  return param_definition_1.ParamDefinition.clone(exports.CrossLinkRestraintParams);
115
115
  }
@@ -22,8 +22,8 @@ var SIFTSMapping;
22
22
  defaultParams: {},
23
23
  getParams: function () { return ({}); },
24
24
  isApplicable: function (data) { return isAvailable(data); },
25
- obtain: function (ctx, data) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
26
- return (0, tslib_1.__generator)(this, function (_a) {
25
+ obtain: function (ctx, data) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
26
+ return tslib_1.__generator(this, function (_a) {
27
27
  return [2 /*return*/, { value: fromCif(data) }];
28
28
  });
29
29
  }); }
@@ -16,7 +16,7 @@ var DefaultColor = (0, color_1.Color)(0xFAFAFA);
16
16
  var Description = 'Assigns a color based on SIFTS mapping.';
17
17
  // same colors for same accessions
18
18
  var globalAccessionMap = new Map();
19
- exports.SIFTSMappingColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'set-1' }));
19
+ exports.SIFTSMappingColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'set-1' }));
20
20
  function getSIFTSMappingColorThemeParams(ctx) {
21
21
  return exports.SIFTSMappingColorThemeParams; // TODO return copy
22
22
  }
@@ -83,9 +83,9 @@ exports.SIFTSMappingColorThemeProvider = {
83
83
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.SIFTSMappingColorThemeParams),
84
84
  isApplicable: function (ctx) { var _a; return !!((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(function (m) { return sifts_mapping_1.SIFTSMapping.Provider.isApplicable(m); })); },
85
85
  ensureCustomProperties: {
86
- attach: function (ctx, data) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
86
+ attach: function (ctx, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
87
87
  var _i, _a, m;
88
- return (0, tslib_1.__generator)(this, function (_b) {
88
+ return tslib_1.__generator(this, function (_b) {
89
89
  switch (_b.label) {
90
90
  case 0:
91
91
  if (!data.structure)
@@ -30,8 +30,8 @@ var PluginAnimationLoop = /** @class */ (function () {
30
30
  });
31
31
  PluginAnimationLoop.prototype.tick = function (t, options) {
32
32
  var _a;
33
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
34
- return (0, tslib_1.__generator)(this, function (_b) {
33
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
34
+ return tslib_1.__generator(this, function (_b) {
35
35
  switch (_b.label) {
36
36
  case 0: return [4 /*yield*/, this.plugin.managers.animation.tick(t, options === null || options === void 0 ? void 0 : options.isSynchronous, options === null || options === void 0 ? void 0 : options.animation)];
37
37
  case 1:
@@ -15,7 +15,7 @@ var mol_util_1 = require("../../mol-util");
15
15
  var PluginBehavior;
16
16
  (function (PluginBehavior) {
17
17
  var Root = /** @class */ (function (_super) {
18
- (0, tslib_1.__extends)(Root, _super);
18
+ tslib_1.__extends(Root, _super);
19
19
  function Root() {
20
20
  return _super !== null && _super.apply(this, arguments) || this;
21
21
  }
@@ -23,7 +23,7 @@ var PluginBehavior;
23
23
  }(objects_1.PluginStateObject.Create({ name: 'Root', typeClass: 'Root' })));
24
24
  PluginBehavior.Root = Root;
25
25
  var Category = /** @class */ (function (_super) {
26
- (0, tslib_1.__extends)(Category, _super);
26
+ tslib_1.__extends(Category, _super);
27
27
  function Category() {
28
28
  return _super !== null && _super.apply(this, arguments) || this;
29
29
  }
@@ -31,7 +31,7 @@ var PluginBehavior;
31
31
  }(objects_1.PluginStateObject.Create({ name: 'Category', typeClass: 'Object' })));
32
32
  PluginBehavior.Category = Category;
33
33
  var Behavior = /** @class */ (function (_super) {
34
- (0, tslib_1.__extends)(Behavior, _super);
34
+ tslib_1.__extends(Behavior, _super);
35
35
  function Behavior() {
36
36
  return _super !== null && _super.apply(this, arguments) || this;
37
37
  }
@@ -79,9 +79,9 @@ var PluginBehavior;
79
79
  update: function (_a) {
80
80
  var _this = this;
81
81
  var b = _a.b, newParams = _a.newParams;
82
- return mol_task_1.Task.create('Update Behavior', function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
82
+ return mol_task_1.Task.create('Update Behavior', function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
83
83
  var updated;
84
- return (0, tslib_1.__generator)(this, function (_a) {
84
+ return tslib_1.__generator(this, function (_a) {
85
85
  switch (_a.label) {
86
86
  case 0:
87
87
  if (!b.data.update)
@@ -40,7 +40,7 @@ exports.FocusLoci = behavior_1.PluginBehavior.create({
40
40
  name: 'camera-focus-loci',
41
41
  category: 'interaction',
42
42
  ctor: /** @class */ (function (_super) {
43
- (0, tslib_1.__extends)(class_1, _super);
43
+ tslib_1.__extends(class_1, _super);
44
44
  function class_1() {
45
45
  return _super !== null && _super.apply(this, arguments) || this;
46
46
  }
@@ -72,7 +72,7 @@ exports.CameraAxisHelper = behavior_1.PluginBehavior.create({
72
72
  name: 'camera-axis-helper',
73
73
  category: 'interaction',
74
74
  ctor: /** @class */ (function (_super) {
75
- (0, tslib_1.__extends)(class_2, _super);
75
+ tslib_1.__extends(class_2, _super);
76
76
  function class_2() {
77
77
  return _super !== null && _super.apply(this, arguments) || this;
78
78
  }
@@ -21,7 +21,7 @@ exports.AccessibleSurfaceArea = behavior_1.PluginBehavior.create({
21
21
  category: 'custom-props',
22
22
  display: { name: 'Accessible Surface Area' },
23
23
  ctor: /** @class */ (function (_super) {
24
- (0, tslib_1.__extends)(class_1, _super);
24
+ tslib_1.__extends(class_1, _super);
25
25
  function class_1() {
26
26
  var _this = _super !== null && _super.apply(this, arguments) || this;
27
27
  _this.provider = accessible_surface_area_1.AccessibleSurfaceAreaProvider;
@@ -23,7 +23,7 @@ exports.Interactions = behavior_1.PluginBehavior.create({
23
23
  category: 'custom-props',
24
24
  display: { name: 'Interactions' },
25
25
  ctor: /** @class */ (function (_super) {
26
- (0, tslib_1.__extends)(class_1, _super);
26
+ tslib_1.__extends(class_1, _super);
27
27
  function class_1() {
28
28
  var _this = _super !== null && _super.apply(this, arguments) || this;
29
29
  _this.provider = interactions_1.InteractionsProvider;
@@ -15,7 +15,7 @@ exports.SecondaryStructure = behavior_1.PluginBehavior.create({
15
15
  category: 'custom-props',
16
16
  display: { name: 'Secondary Structure' },
17
17
  ctor: /** @class */ (function (_super) {
18
- (0, tslib_1.__extends)(class_1, _super);
18
+ tslib_1.__extends(class_1, _super);
19
19
  function class_1() {
20
20
  var _this = _super !== null && _super.apply(this, arguments) || this;
21
21
  _this.provider = secondary_structure_1.SecondaryStructureProvider;
@@ -21,7 +21,7 @@ exports.ValenceModel = behavior_1.PluginBehavior.create({
21
21
  category: 'custom-props',
22
22
  display: { name: 'Valence Model' },
23
23
  ctor: /** @class */ (function (_super) {
24
- (0, tslib_1.__extends)(class_1, _super);
24
+ tslib_1.__extends(class_1, _super);
25
25
  function class_1() {
26
26
  var _this = _super !== null && _super.apply(this, arguments) || this;
27
27
  _this.provider = valence_model_1.ValenceModelProvider;
@@ -17,7 +17,7 @@ exports.CrossLinkRestraint = behavior_1.PluginBehavior.create({
17
17
  category: 'custom-props',
18
18
  display: { name: 'Cross Link Restraint' },
19
19
  ctor: /** @class */ (function (_super) {
20
- (0, tslib_1.__extends)(class_1, _super);
20
+ tslib_1.__extends(class_1, _super);
21
21
  function class_1() {
22
22
  var _this = _super !== null && _super.apply(this, arguments) || this;
23
23
  _this.provider = format_1.ModelCrossLinkRestraint.Provider;
@@ -18,7 +18,7 @@ exports.SIFTSMapping = behavior_1.PluginBehavior.create({
18
18
  category: 'custom-props',
19
19
  display: { name: 'SIFTS Mapping' },
20
20
  ctor: /** @class */ (function (_super) {
21
- (0, tslib_1.__extends)(class_1, _super);
21
+ tslib_1.__extends(class_1, _super);
22
22
  function class_1() {
23
23
  var _this = _super !== null && _super.apply(this, arguments) || this;
24
24
  _this.provider = sifts_mapping_1.SIFTSMapping.Provider;
@@ -16,7 +16,7 @@ exports.StructureInfo = behavior_1.PluginBehavior.create({
16
16
  category: 'custom-props',
17
17
  display: { name: 'Structure Info' },
18
18
  ctor: /** @class */ (function (_super) {
19
- (0, tslib_1.__extends)(class_1, _super);
19
+ tslib_1.__extends(class_1, _super);
20
20
  function class_1() {
21
21
  return _super !== null && _super.apply(this, arguments) || this;
22
22
  }
@@ -83,7 +83,7 @@ exports.StructureInfo = behavior_1.PluginBehavior.create({
83
83
  }
84
84
  if (structure_1.Model.AsymIdOffset.get(model).value === undefined) {
85
85
  var oldOffset = oldModel && structure_1.Model.AsymIdOffset.get(oldModel).value;
86
- var value = oldOffset !== null && oldOffset !== void 0 ? oldOffset : (0, tslib_1.__assign)({}, this.asymIdOffset);
86
+ var value = oldOffset !== null && oldOffset !== void 0 ? oldOffset : tslib_1.__assign({}, this.asymIdOffset);
87
87
  structure_1.Model.AsymIdOffset.set(model, { value: value });
88
88
  }
89
89
  };
@@ -38,7 +38,7 @@ exports.HighlightLoci = behavior_1.PluginBehavior.create({
38
38
  name: 'representation-highlight-loci',
39
39
  category: 'interaction',
40
40
  ctor: /** @class */ (function (_super) {
41
- (0, tslib_1.__extends)(class_1, _super);
41
+ tslib_1.__extends(class_1, _super);
42
42
  function class_1() {
43
43
  var _this = _super !== null && _super.apply(this, arguments) || this;
44
44
  _this.lociMarkProvider = function (interactionLoci, action) {
@@ -108,7 +108,7 @@ exports.SelectLoci = behavior_1.PluginBehavior.create({
108
108
  name: 'representation-select-loci',
109
109
  category: 'interaction',
110
110
  ctor: /** @class */ (function (_super) {
111
- (0, tslib_1.__extends)(class_2, _super);
111
+ tslib_1.__extends(class_2, _super);
112
112
  function class_2(ctx, params) {
113
113
  var _this = _super.call(this, ctx, params) || this;
114
114
  _this.lociMarkProvider = function (reprLoci, action) {
@@ -262,7 +262,7 @@ exports.FocusLoci = behavior_1.PluginBehavior.create({
262
262
  name: 'representation-focus-loci',
263
263
  category: 'interaction',
264
264
  ctor: /** @class */ (function (_super) {
265
- (0, tslib_1.__extends)(class_4, _super);
265
+ tslib_1.__extends(class_4, _super);
266
266
  function class_4() {
267
267
  return _super !== null && _super.apply(this, arguments) || this;
268
268
  }
@@ -68,7 +68,7 @@ var StructureFocusRepresentationTags;
68
68
  })(StructureFocusRepresentationTags = exports.StructureFocusRepresentationTags || (exports.StructureFocusRepresentationTags = {}));
69
69
  var TagSet = new Set([StructureFocusRepresentationTags.TargetSel, StructureFocusRepresentationTags.TargetRepr, StructureFocusRepresentationTags.SurrSel, StructureFocusRepresentationTags.SurrRepr, StructureFocusRepresentationTags.SurrNciRepr]);
70
70
  var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
71
- (0, tslib_1.__extends)(StructureFocusRepresentationBehavior, _super);
71
+ tslib_1.__extends(StructureFocusRepresentationBehavior, _super);
72
72
  function StructureFocusRepresentationBehavior() {
73
73
  var _this = _super !== null && _super.apply(this, arguments) || this;
74
74
  _this.currentSource = void 0;
@@ -80,9 +80,9 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
80
80
  configurable: true
81
81
  });
82
82
  StructureFocusRepresentationBehavior.prototype.getReprParams = function (reprParams) {
83
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, reprParams), { type: {
83
+ return tslib_1.__assign(tslib_1.__assign({}, reprParams), { type: {
84
84
  name: reprParams.type.name,
85
- params: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, reprParams.type.params), { ignoreHydrogens: this.params.ignoreHydrogens, ignoreLight: this.params.ignoreLight, material: this.params.material, clip: this.params.clip })
85
+ params: tslib_1.__assign(tslib_1.__assign({}, reprParams.type.params), { ignoreHydrogens: this.params.ignoreHydrogens, ignoreLight: this.params.ignoreLight, material: this.params.material, clip: this.params.clip })
86
86
  } });
87
87
  };
88
88
  StructureFocusRepresentationBehavior.prototype.ensureShape = function (cell) {
@@ -131,20 +131,20 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
131
131
  var bundle = structure_1.StructureElement.Bundle.Empty;
132
132
  for (var _i = 0, foci_1 = foci; _i < foci_1.length; _i++) {
133
133
  var f = foci_1[_i];
134
- update.to(f).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, old), { bundle: bundle })); });
134
+ update.to(f).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { bundle: bundle })); });
135
135
  }
136
136
  var expression = builder_1.MolScriptBuilder.struct.generator.empty();
137
137
  for (var _a = 0, surrs_1 = surrs; _a < surrs_1.length; _a++) {
138
138
  var s = surrs_1[_a];
139
- update.to(s).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, old), { expression: expression })); });
139
+ update.to(s).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { expression: expression })); });
140
140
  }
141
141
  return commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: update, options: { doNotLogTiming: true, doNotUpdateCurrent: true } });
142
142
  };
143
143
  StructureFocusRepresentationBehavior.prototype.focus = function (sourceLoci) {
144
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
144
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
145
145
  var parent, loci, residueLoci, residueBundle, target, surroundings, _a, state, builder, refs;
146
146
  var _this = this;
147
- return (0, tslib_1.__generator)(this, function (_b) {
147
+ return tslib_1.__generator(this, function (_b) {
148
148
  switch (_b.label) {
149
149
  case 0:
150
150
  parent = this.plugin.helpers.substructureParent.get(sourceLoci.structure);
@@ -167,8 +167,8 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
167
167
  });
168
168
  }
169
169
  _a = this.ensureShape(parent), state = _a.state, builder = _a.builder, refs = _a.refs;
170
- builder.to(refs[StructureFocusRepresentationTags.TargetSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, old), { bundle: residueBundle })); });
171
- builder.to(refs[StructureFocusRepresentationTags.SurrSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, old), { expression: surroundings, label: _this.surrLabel })); });
170
+ builder.to(refs[StructureFocusRepresentationTags.TargetSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { bundle: residueBundle })); });
171
+ builder.to(refs[StructureFocusRepresentationTags.SurrSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { expression: surroundings, label: _this.surrLabel })); });
172
172
  return [4 /*yield*/, commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: builder, options: { doNotLogTiming: true, doNotUpdateCurrent: true } })];
173
173
  case 1:
174
174
  _b.sent();
@@ -187,9 +187,9 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
187
187
  });
188
188
  };
189
189
  StructureFocusRepresentationBehavior.prototype.update = function (params) {
190
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
190
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
191
191
  var old, state, builder, all, components, hasComponent, _i, _a, repr, _b, _c, repr, _d, _e, repr;
192
- return (0, tslib_1.__generator)(this, function (_f) {
192
+ return tslib_1.__generator(this, function (_f) {
193
193
  switch (_f.label) {
194
194
  case 0:
195
195
  old = this.params;
@@ -26,7 +26,7 @@ var loci_1 = require("../../../../mol-model/loci");
26
26
  var assets_1 = require("../../../../mol-util/assets");
27
27
  var global_transform_1 = require("../../../../mol-model/structure/model/properties/global-transform");
28
28
  var VolumeStreaming = /** @class */ (function (_super) {
29
- (0, tslib_1.__extends)(VolumeStreaming, _super);
29
+ tslib_1.__extends(VolumeStreaming, _super);
30
30
  function VolumeStreaming() {
31
31
  return _super !== null && _super.apply(this, arguments) || this;
32
32
  }
@@ -107,7 +107,7 @@ exports.VolumeStreaming = VolumeStreaming;
107
107
  VolumeStreaming.ViewTypeOptions = [['off', 'Off'], ['box', 'Bounded Box'], ['selection-box', 'Around Focus'], ['cell', 'Whole Structure'], ['auto', 'Auto']];
108
108
  VolumeStreaming.ChannelTypeOptions = [['em', 'em'], ['2fo-fc', '2fo-fc'], ['fo-fc(+ve)', 'fo-fc(+ve)'], ['fo-fc(-ve)', 'fo-fc(-ve)']];
109
109
  var Behavior = /** @class */ (function (_super) {
110
- (0, tslib_1.__extends)(Behavior, _super);
110
+ tslib_1.__extends(Behavior, _super);
111
111
  function Behavior(plugin, data) {
112
112
  var _this = _super.call(this, plugin, {}) || this;
113
113
  _this.plugin = plugin;
@@ -130,9 +130,9 @@ exports.VolumeStreaming = VolumeStreaming;
130
130
  configurable: true
131
131
  });
132
132
  Behavior.prototype.queryData = function (box) {
133
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
133
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
134
134
  var url, a, b, detail, entry, urlAsset, asset, data, removed;
135
- return (0, tslib_1.__generator)(this, function (_a) {
135
+ return tslib_1.__generator(this, function (_a) {
136
136
  switch (_a.label) {
137
137
  case 0:
138
138
  url = (0, url_1.urlCombine)(this.data.serverUrl, "".concat(this.info.kind, "/").concat(this.info.dataId.toLowerCase()));
@@ -171,9 +171,9 @@ exports.VolumeStreaming = VolumeStreaming;
171
171
  });
172
172
  };
173
173
  Behavior.prototype.parseCif = function (data) {
174
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
174
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
175
175
  var parsed, ret, i, block, densityServerCif, volume;
176
- return (0, tslib_1.__generator)(this, function (_a) {
176
+ return tslib_1.__generator(this, function (_a) {
177
177
  switch (_a.label) {
178
178
  case 0: return [4 /*yield*/, this.plugin.runTask(cif_1.CIF.parseBinary(data))];
179
179
  case 1:
@@ -210,9 +210,9 @@ exports.VolumeStreaming = VolumeStreaming;
210
210
  if (this.params.entry.params.view.name !== 'selection-box')
211
211
  return;
212
212
  var state = this.plugin.state.data;
213
- var newParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, this.params), { entry: {
213
+ var newParams = tslib_1.__assign(tslib_1.__assign({}, this.params), { entry: {
214
214
  name: this.params.entry.name,
215
- params: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, this.params.entry.params), { view: {
215
+ params: tslib_1.__assign(tslib_1.__assign({}, this.params.entry.params), { view: {
216
216
  name: 'selection-box',
217
217
  params: {
218
218
  radius: this.params.entry.params.view.params.radius,
@@ -228,9 +228,9 @@ exports.VolumeStreaming = VolumeStreaming;
228
228
  if (this.params.entry.params.view.name !== 'auto')
229
229
  return;
230
230
  var state = this.plugin.state.data;
231
- var newParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, this.params), { entry: {
231
+ var newParams = tslib_1.__assign(tslib_1.__assign({}, this.params), { entry: {
232
232
  name: this.params.entry.name,
233
- params: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, this.params.entry.params), { view: {
233
+ params: tslib_1.__assign(tslib_1.__assign({}, this.params.entry.params), { view: {
234
234
  name: 'auto',
235
235
  params: {
236
236
  radius: this.params.entry.params.view.params.radius,
@@ -338,9 +338,9 @@ exports.VolumeStreaming = VolumeStreaming;
338
338
  this.updateSelectionBoxParams(box);
339
339
  };
340
340
  Behavior.prototype.update = function (params) {
341
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
341
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
342
342
  var switchedToSelection, box, emptyData, r, r, data, _a, info;
343
- return (0, tslib_1.__generator)(this, function (_b) {
343
+ return tslib_1.__generator(this, function (_b) {
344
344
  switch (_b.label) {
345
345
  case 0:
346
346
  switchedToSelection = params.entry.params.view.name === 'selection-box' && this.params && this.params.entry && this.params.entry.params && this.params.entry.params.view && this.params.entry.params.view.name !== 'selection-box';
@@ -10,7 +10,7 @@ exports.VolumeServerHeader = exports.VolumeServerInfo = void 0;
10
10
  var tslib_1 = require("tslib");
11
11
  var objects_1 = require("../../../../mol-plugin-state/objects");
12
12
  var VolumeServerInfo = /** @class */ (function (_super) {
13
- (0, tslib_1.__extends)(VolumeServerInfo, _super);
13
+ tslib_1.__extends(VolumeServerInfo, _super);
14
14
  function VolumeServerInfo() {
15
15
  return _super !== null && _super.apply(this, arguments) || this;
16
16
  }