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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  649. package/lib/mol-io/common/binary-cif/decoder.js +4 -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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  776. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
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@@ -8,10 +8,10 @@
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  Object.defineProperty(exports, "__esModule", { value: true });
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  exports.configureLocal = exports.configureServer = exports.LimitsConfig = exports.ServerConfig = void 0;
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  var tslib_1 = require("tslib");
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- var argparse = (0, tslib_1.__importStar)(require("argparse"));
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+ var argparse = tslib_1.__importStar(require("argparse"));
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  var type_helpers_1 = require("../../mol-util/type-helpers");
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  var version_1 = require("./server/version");
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- var fs = (0, tslib_1.__importStar)(require("fs"));
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+ var fs = tslib_1.__importStar(require("fs"));
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  var DefaultServerConfig = {
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  defaultPort: 1337,
@@ -87,7 +87,7 @@ function addJsonConfigArgs(parser) {
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  parser.add_argument('--printCfg', { help: 'Print current config for validation and exit.', required: false, action: 'store_true' });
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  parser.add_argument('--cfgTemplate', { help: 'Prints default JSON config template to be modified and exits.', required: false, action: 'store_true' });
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- exports.ServerConfig = (0, tslib_1.__assign)({}, DefaultServerConfig);
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+ exports.ServerConfig = tslib_1.__assign({}, DefaultServerConfig);
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  function setServerConfig(config) {
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@@ -113,7 +113,7 @@ var DefaultLimitsConfig = {
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@@ -125,7 +125,7 @@ function setConfig(config) {
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+ var ServerConfigTemplate = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, DefaultServerConfig), { idMap: [
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  ['x-ray', './path-to-xray-data/${id.substr(1, 2)}/${id}.mdb'],
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@@ -150,7 +150,7 @@ function configureServer() {
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+ console.log(JSON.stringify(tslib_1.__assign(tslib_1.__assign({}, exports.ServerConfig), exports.LimitsConfig), null, 2));
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@@ -11,9 +11,9 @@ var tslib_1 = require("tslib");
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  function readHeader(name, file) {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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- return (0, tslib_1.__generator)(this, function (_b) {
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+ return tslib_1.__generator(this, function (_b) {
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@@ -40,9 +40,9 @@ function readHeader(name, file) {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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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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@@ -10,9 +10,9 @@ var tslib_1 = require("tslib");
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  var typed_array_1 = require("../../../../mol-io/common/typed-array");
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  function readHeader(name, file) {
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- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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  var _a, dsn6Header, littleEndian, header;
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- return (0, tslib_1.__generator)(this, function (_b) {
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+ return tslib_1.__generator(this, function (_b) {
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@@ -37,9 +37,9 @@ function readHeader(name, file) {
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  function readSlices(data) {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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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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@@ -8,7 +8,7 @@
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  Object.defineProperty(exports, "__esModule", { value: true });
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  exports.open = exports.getProviderFromType = exports.compareHeaders = exports.assignSliceBuffer = void 0;
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  var tslib_1 = require("tslib");
11
- var File = (0, tslib_1.__importStar)(require("../common/file"));
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+ var File = tslib_1.__importStar(require("../common/file"));
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  var ccp4_1 = require("./format/ccp4");
13
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  var typed_array_1 = require("../../../mol-io/common/typed-array");
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  var dsn6_1 = require("./format/dsn6");
@@ -59,9 +59,9 @@ function getProviderFromType(type) {
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- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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- return (0, tslib_1.__generator)(this, function (_a) {
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+ return tslib_1.__generator(this, function (_a) {
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@@ -9,15 +9,15 @@
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  var tslib_1 = require("tslib");
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- var Format = (0, tslib_1.__importStar)(require("./format"));
13
- var File = (0, tslib_1.__importStar)(require("../common/file"));
14
- var Data = (0, tslib_1.__importStar)(require("./data-model"));
15
- var Sampling = (0, tslib_1.__importStar)(require("./sampling"));
16
- var DataFormat = (0, tslib_1.__importStar)(require("../common/data-format"));
12
+ var Format = tslib_1.__importStar(require("./format"));
13
+ var File = tslib_1.__importStar(require("../common/file"));
14
+ var Data = tslib_1.__importStar(require("./data-model"));
15
+ var Sampling = tslib_1.__importStar(require("./sampling"));
16
+ var DataFormat = tslib_1.__importStar(require("../common/data-format"));
17
17
  function pack(input, blockSizeInMB, isPeriodic, outputFilename, format) {
18
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
18
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
19
19
  var e_1;
20
- return (0, tslib_1.__generator)(this, function (_a) {
20
+ return tslib_1.__generator(this, function (_a) {
21
21
  switch (_a.label) {
22
22
  case 0:
23
23
  _a.trys.push([0, 2, , 3]);
@@ -51,9 +51,9 @@ function updateAllocationProgress(progress, progressDone) {
51
51
  * Pre allocate the disk space to be able to do "random" writes into the entire file.
52
52
  */
53
53
  function allocateFile(ctx) {
54
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
54
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
55
55
  var totalByteSize, file, buffer, progress, written;
56
- return (0, tslib_1.__generator)(this, function (_a) {
56
+ return tslib_1.__generator(this, function (_a) {
57
57
  totalByteSize = ctx.totalByteSize, file = ctx.file;
58
58
  buffer = Buffer.alloc(Math.min(totalByteSize, 8 * 1024 * 1024));
59
59
  progress = { current: 0, max: Math.ceil(totalByteSize / buffer.byteLength) };
@@ -80,9 +80,9 @@ function determineBlockSize(data, blockSizeInMB) {
80
80
  throw new Error('Could not determine a valid block size.');
81
81
  }
82
82
  function writeHeader(ctx) {
83
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
83
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
84
84
  var header;
85
- return (0, tslib_1.__generator)(this, function (_a) {
85
+ return tslib_1.__generator(this, function (_a) {
86
86
  switch (_a.label) {
87
87
  case 0:
88
88
  header = DataFormat.encodeHeader(Data.createHeader(ctx));
@@ -98,9 +98,9 @@ function writeHeader(ctx) {
98
98
  });
99
99
  }
100
100
  function create(filename, sourceDensities, sourceBlockSizeInMB, isPeriodic, format) {
101
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
101
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
102
102
  var startedTime, files, channels_3, _i, sourceDensities_1, s, _a, _b, isOk, blockSizeInMB, _c, channels_1, ch, context, _d, channels_2, s, time, _e, files_1, f;
103
- return (0, tslib_1.__generator)(this, function (_f) {
103
+ return tslib_1.__generator(this, function (_f) {
104
104
  switch (_f.label) {
105
105
  case 0:
106
106
  startedTime = getTime();
@@ -9,19 +9,19 @@
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  exports.processData = exports.createContext = void 0;
11
11
  var tslib_1 = require("tslib");
12
- var Data = (0, tslib_1.__importStar)(require("./data-model"));
13
- var File = (0, tslib_1.__importStar)(require("../common/file"));
14
- var Downsampling = (0, tslib_1.__importStar)(require("./downsampling"));
15
- var Writer = (0, tslib_1.__importStar)(require("./writer"));
16
- var DataFormat = (0, tslib_1.__importStar)(require("../common/data-format"));
12
+ var Data = tslib_1.__importStar(require("./data-model"));
13
+ var File = tslib_1.__importStar(require("../common/file"));
14
+ var Downsampling = tslib_1.__importStar(require("./downsampling"));
15
+ var Writer = tslib_1.__importStar(require("./writer"));
16
+ var DataFormat = tslib_1.__importStar(require("../common/data-format"));
17
17
  var typed_array_1 = require("../../../mol-io/common/typed-array");
18
18
  var simple_buffer_1 = require("../../../mol-io/common/simple-buffer");
19
19
  var file_handle_1 = require("../../common/file-handle");
20
20
  function createContext(filename, channels, blockSize, isPeriodic) {
21
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
21
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
22
22
  var _a, extent, valueType, grid, origin, samplingCounts, cubeBuffer, litteEndianCubeBuffer, ctx, _b, byteOffset, _i, _c, s;
23
23
  var _d;
24
- return (0, tslib_1.__generator)(this, function (_e) {
24
+ return tslib_1.__generator(this, function (_e) {
25
25
  switch (_e.label) {
26
26
  case 0:
27
27
  _a = channels[0].data.header, extent = _a.extent, valueType = _a.valueType, grid = _a.grid, origin = _a.origin;
@@ -68,9 +68,9 @@ function createContext(filename, channels, blockSize, isPeriodic) {
68
68
  }
69
69
  exports.createContext = createContext;
70
70
  function processData(ctx) {
71
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
71
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
72
72
  var channel, _i, _a, src;
73
- return (0, tslib_1.__generator)(this, function (_b) {
73
+ return tslib_1.__generator(this, function (_b) {
74
74
  switch (_b.label) {
75
75
  case 0:
76
76
  channel = ctx.channels[0];
@@ -213,9 +213,9 @@ function shouldSamplingBeWritten(sampling, blockSize, isDataFinished) {
213
213
  return sampling.blocks.slicesWritten >= blockSize;
214
214
  }
215
215
  function writeBlocks(ctx, isDataFinished) {
216
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
216
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
217
217
  var _i, _a, s;
218
- return (0, tslib_1.__generator)(this, function (_b) {
218
+ return tslib_1.__generator(this, function (_b) {
219
219
  switch (_b.label) {
220
220
  case 0:
221
221
  _i = 0, _a = ctx.sampling;
@@ -238,9 +238,9 @@ function writeBlocks(ctx, isDataFinished) {
238
238
  });
239
239
  }
240
240
  function processSlices(ctx) {
241
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
241
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
242
242
  var channel, sliceCount, i, isDataFinished;
243
- return (0, tslib_1.__generator)(this, function (_a) {
243
+ return tslib_1.__generator(this, function (_a) {
244
244
  switch (_a.label) {
245
245
  case 0:
246
246
  channel = ctx.channels[0];
@@ -13,9 +13,9 @@ var typed_array_1 = require("../../../mol-io/common/typed-array");
13
13
  var simple_buffer_1 = require("../../../mol-io/common/simple-buffer");
14
14
  /** Converts a layer to blocks and writes them to the output file. */
15
15
  function writeBlockLayer(ctx, sampling) {
16
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
16
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
17
17
  var nU, nV, startOffset, v, u, size;
18
- return (0, tslib_1.__generator)(this, function (_a) {
18
+ return tslib_1.__generator(this, function (_a) {
19
19
  switch (_a.label) {
20
20
  case 0:
21
21
  nU = Math.ceil(sampling.sampleCount[0] / ctx.blockSize);
@@ -10,7 +10,7 @@
10
10
  */
11
11
  Object.defineProperty(exports, "__esModule", { value: true });
12
12
  var tslib_1 = require("tslib");
13
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
13
+ var argparse = tslib_1.__importStar(require("argparse"));
14
14
  var main_1 = require("./pack/main");
15
15
  var version_1 = require("./pack/version");
16
16
  function getConfig(args) {
@@ -10,9 +10,9 @@
10
10
  */
11
11
  Object.defineProperty(exports, "__esModule", { value: true });
12
12
  var tslib_1 = require("tslib");
13
- var fs = (0, tslib_1.__importStar)(require("fs"));
13
+ var fs = tslib_1.__importStar(require("fs"));
14
14
  var config_1 = require("./config");
15
- var LocalApi = (0, tslib_1.__importStar)(require("./server/local-api"));
15
+ var LocalApi = tslib_1.__importStar(require("./server/local-api"));
16
16
  var config = (0, config_1.configureLocal)();
17
17
  if (config.jobsTemplate) {
18
18
  var exampleJobs = [{
@@ -52,9 +52,9 @@ if (config.jobsTemplate) {
52
52
  process.exit();
53
53
  }
54
54
  function run() {
55
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
55
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
56
56
  var jobs;
57
- return (0, tslib_1.__generator)(this, function (_a) {
57
+ return tslib_1.__generator(this, function (_a) {
58
58
  switch (_a.label) {
59
59
  case 0:
60
60
  try {
@@ -5,7 +5,7 @@
5
5
  Object.defineProperty(exports, "__esModule", { value: true });
6
6
  exports.volume = exports.dimensions = exports.intersect = exports.areIntersecting = exports.bounding = exports.fractionalFromBlock = exports.fractionalToDomain = exports.clampGridToSamples = exports.shift = exports.expandGridBox = exports.fractionalBoxReorderAxes = exports.gridToFractional = exports.fractionalToGrid = exports.cartesianToFractional = void 0;
7
7
  var tslib_1 = require("tslib");
8
- var Coords = (0, tslib_1.__importStar)(require("./coordinate"));
8
+ var Coords = tslib_1.__importStar(require("./coordinate"));
9
9
  // CONVERSIONS
10
10
  function cartesianToFractional(box, spacegroup) {
11
11
  var l = box.a, r = box.b;
@@ -9,10 +9,10 @@
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  exports.queryBox = exports.getExtendedHeaderJson = exports.getOutputFilename = void 0;
11
11
  var tslib_1 = require("tslib");
12
- var File = (0, tslib_1.__importStar)(require("../common/file"));
12
+ var File = tslib_1.__importStar(require("../common/file"));
13
13
  var execute_1 = require("./query/execute");
14
14
  var console_logger_1 = require("../../../mol-util/console-logger");
15
- var DataFormat = (0, tslib_1.__importStar)(require("../common/data-format"));
15
+ var DataFormat = tslib_1.__importStar(require("../common/data-format"));
16
16
  var config_1 = require("../config");
17
17
  var file_handle_1 = require("../../common/file-handle");
18
18
  function getOutputFilename(source, id, _a) {
@@ -30,9 +30,9 @@ function getOutputFilename(source, id, _a) {
30
30
  exports.getOutputFilename = getOutputFilename;
31
31
  /** Reads the header and includes information about available detail levels */
32
32
  function getExtendedHeaderJson(filename, sourceId) {
33
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
33
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
34
34
  var header, _a, sampleCount, maxVoxelCount, precisions, availablePrecisions, _i, precisions_1, p, e_1;
35
- return (0, tslib_1.__generator)(this, function (_b) {
35
+ return tslib_1.__generator(this, function (_b) {
36
36
  switch (_b.label) {
37
37
  case 0:
38
38
  console_logger_1.ConsoleLogger.log('Header', sourceId);
@@ -72,8 +72,8 @@ function getExtendedHeaderJson(filename, sourceId) {
72
72
  }
73
73
  exports.getExtendedHeaderJson = getExtendedHeaderJson;
74
74
  function queryBox(params, outputProvider) {
75
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
76
- return (0, tslib_1.__generator)(this, function (_a) {
75
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
76
+ return tslib_1.__generator(this, function (_a) {
77
77
  switch (_a.label) {
78
78
  case 0: return [4 /*yield*/, (0, execute_1.execute)(params, outputProvider)];
79
79
  case 1: return [2 /*return*/, _a.sent()];
@@ -83,9 +83,9 @@ function queryBox(params, outputProvider) {
83
83
  }
84
84
  exports.queryBox = queryBox;
85
85
  function readHeader(filename, sourceId) {
86
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
86
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
87
87
  var file, _a, header, e_2;
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
  _b.trys.push([0, 3, 4, 5]);
@@ -9,14 +9,14 @@
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  exports.run = void 0;
11
11
  var tslib_1 = require("tslib");
12
- var Api = (0, tslib_1.__importStar)(require("./api"));
13
- var Coordinate = (0, tslib_1.__importStar)(require("./algebra/coordinate"));
14
- var fs = (0, tslib_1.__importStar)(require("fs"));
15
- var path = (0, tslib_1.__importStar)(require("path"));
12
+ var Api = tslib_1.__importStar(require("./api"));
13
+ var Coordinate = tslib_1.__importStar(require("./algebra/coordinate"));
14
+ var fs = tslib_1.__importStar(require("fs"));
15
+ var path = tslib_1.__importStar(require("path"));
16
16
  function run(jobs) {
17
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
17
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
18
18
  var progress, started, _i, jobs_1, job, e_1, elapsed;
19
- return (0, tslib_1.__generator)(this, function (_a) {
19
+ return tslib_1.__generator(this, function (_a) {
20
20
  switch (_a.label) {
21
21
  case 0:
22
22
  progress = 0;
@@ -57,9 +57,9 @@ function getTime() {
57
57
  }
58
58
  function query(job) {
59
59
  var _a;
60
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
60
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
61
61
  var box, params, filename, res;
62
- return (0, tslib_1.__generator)(this, function (_b) {
62
+ return tslib_1.__generator(this, function (_b) {
63
63
  switch (_b.label) {
64
64
  case 0:
65
65
  if (job.query.kind.toLocaleLowerCase() === 'cell') {
@@ -9,13 +9,13 @@
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  exports.compose = void 0;
11
11
  var tslib_1 = require("tslib");
12
- var Box = (0, tslib_1.__importStar)(require("../algebra/box"));
13
- var Coords = (0, tslib_1.__importStar)(require("../algebra/coordinate"));
12
+ var Box = tslib_1.__importStar(require("../algebra/box"));
13
+ var Coords = tslib_1.__importStar(require("../algebra/coordinate"));
14
14
  var typed_array_1 = require("../../../../mol-io/common/typed-array");
15
15
  function compose(query) {
16
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
16
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
17
17
  var _i, _a, block;
18
- return (0, tslib_1.__generator)(this, function (_b) {
18
+ return tslib_1.__generator(this, function (_b) {
19
19
  switch (_b.label) {
20
20
  case 0:
21
21
  _i = 0, _a = query.samplingInfo.blocks;
@@ -37,9 +37,9 @@ function compose(query) {
37
37
  }
38
38
  exports.compose = compose;
39
39
  function readBlock(query, coord, blockBox) {
40
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
40
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
41
41
  var _a, valueType, blockSize, elementByteSize, numChannels, blockSampleCount, size, byteSize, dataSampleCount, buffer, byteOffset, values;
42
- return (0, tslib_1.__generator)(this, function (_b) {
42
+ return tslib_1.__generator(this, function (_b) {
43
43
  switch (_b.label) {
44
44
  case 0:
45
45
  _a = query.data.header, valueType = _a.valueType, blockSize = _a.blockSize;
@@ -95,9 +95,9 @@ function createBlockGridDomain(block, grid) {
95
95
  }
96
96
  /** Read the block data and fill all the overlaps with the query region. */
97
97
  function fillBlock(query, block) {
98
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
98
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
99
99
  var baseBox, blockGridDomain, blockData, _i, _a, offset, offsetQueryBox, dataBox, offsetDataBox, blockGridBox, queryGridBox;
100
- return (0, tslib_1.__generator)(this, function (_b) {
100
+ return tslib_1.__generator(this, function (_b) {
101
101
  switch (_b.label) {
102
102
  case 0:
103
103
  baseBox = Box.fractionalFromBlock(block.coord);
@@ -9,10 +9,10 @@
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  exports.execute = void 0;
11
11
  var tslib_1 = require("tslib");
12
- var DataFormat = (0, tslib_1.__importStar)(require("../../common/data-format"));
13
- var File = (0, tslib_1.__importStar)(require("../../common/file"));
14
- var Coords = (0, tslib_1.__importStar)(require("../algebra/coordinate"));
15
- var Box = (0, tslib_1.__importStar)(require("../algebra/box"));
12
+ var DataFormat = tslib_1.__importStar(require("../../common/data-format"));
13
+ var File = tslib_1.__importStar(require("../../common/file"));
14
+ var Coords = tslib_1.__importStar(require("../algebra/coordinate"));
15
+ var Box = tslib_1.__importStar(require("../algebra/box"));
16
16
  var console_logger_1 = require("../../../../mol-util/console-logger");
17
17
  var state_1 = require("../state");
18
18
  var identify_1 = require("./identify");
@@ -25,9 +25,9 @@ var typed_array_1 = require("../../../../mol-io/common/typed-array");
25
25
  var config_1 = require("../../config");
26
26
  var file_handle_1 = require("../../../common/file-handle");
27
27
  function execute(params, outputProvider) {
28
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
28
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
29
29
  var start, guid, sourceFile, _a, e_1;
30
- return (0, tslib_1.__generator)(this, function (_b) {
30
+ return tslib_1.__generator(this, function (_b) {
31
31
  switch (_b.label) {
32
32
  case 0:
33
33
  start = getTime();
@@ -92,9 +92,9 @@ function createSampling(header, index, dataOffset) {
92
92
  };
93
93
  }
94
94
  function createDataContext(file) {
95
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
95
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
96
96
  var _a, header, dataOffset, origin, dimensions;
97
- return (0, tslib_1.__generator)(this, function (_b) {
97
+ return tslib_1.__generator(this, function (_b) {
98
98
  switch (_b.label) {
99
99
  case 0: return [4 /*yield*/, DataFormat.readHeader(file)];
100
100
  case 1:
@@ -190,9 +190,9 @@ function createQueryContext(data, params, guid) {
190
190
  };
191
191
  }
192
192
  function _execute(file, params, guid, outputProvider) {
193
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
193
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
194
194
  var output, data, query, e_2, query;
195
- return (0, tslib_1.__generator)(this, function (_a) {
195
+ return tslib_1.__generator(this, function (_a) {
196
196
  switch (_a.label) {
197
197
  case 0:
198
198
  output = void 0;
@@ -9,8 +9,8 @@
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  exports.findUniqueBlocks = void 0;
11
11
  var tslib_1 = require("tslib");
12
- var Coords = (0, tslib_1.__importStar)(require("../algebra/coordinate"));
13
- var Box = (0, tslib_1.__importStar)(require("../algebra/box"));
12
+ var Coords = tslib_1.__importStar(require("../algebra/coordinate"));
13
+ var Box = tslib_1.__importStar(require("../algebra/box"));
14
14
  // import { FastMap } from '../utils/collections'
15
15
  /** Find a list of unique blocks+offsets that overlap with the query region. */
16
16
  function findUniqueBlocks(data, sampling, queryBox) {
@@ -10,8 +10,8 @@
10
10
  Object.defineProperty(exports, "__esModule", { value: true });
11
11
  exports.init = void 0;
12
12
  var tslib_1 = require("tslib");
13
- var Api = (0, tslib_1.__importStar)(require("./api"));
14
- var Coords = (0, tslib_1.__importStar)(require("./algebra/coordinate"));
13
+ var Api = tslib_1.__importStar(require("./api"));
14
+ var Coords = tslib_1.__importStar(require("./algebra/coordinate"));
15
15
  var console_logger_1 = require("../../../mol-util/console-logger");
16
16
  var state_1 = require("./state");
17
17
  var config_1 = require("../config");
@@ -47,7 +47,7 @@ function init(app) {
47
47
  }
48
48
  exports.init = init;
49
49
  function getMapFileFn() {
50
- var map = new Function('type', 'id', 'interpolate', (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([
50
+ var map = new Function('type', 'id', 'interpolate', tslib_1.__spreadArray(tslib_1.__spreadArray([
51
51
  'id = id.toLowerCase()',
52
52
  'switch (type.toLowerCase()) {'
53
53
  ], config_1.ServerConfig.idMap.map(function (mapping) {
@@ -115,9 +115,9 @@ function validateSourceAndId(req, res) {
115
115
  return false;
116
116
  }
117
117
  function getHeader(req, res) {
118
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
118
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
119
119
  var headerWritten, _a, filename, id, header, e_1;
120
- return (0, tslib_1.__generator)(this, function (_b) {
120
+ return tslib_1.__generator(this, function (_b) {
121
121
  switch (_b.label) {
122
122
  case 0:
123
123
  if (validateSourceAndId(req, res)) {
@@ -179,9 +179,9 @@ function getQueryParams(req, isCell) {
179
179
  };
180
180
  }
181
181
  function queryBox(req, res, params) {
182
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
182
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
183
183
  var outputFilename, response, ok, e_2;
184
- return (0, tslib_1.__generator)(this, function (_a) {
184
+ return tslib_1.__generator(this, function (_a) {
185
185
  switch (_a.label) {
186
186
  case 0:
187
187
  if (validateSourceAndId(req, res)) {
@@ -10,8 +10,8 @@
10
10
  */
11
11
  Object.defineProperty(exports, "__esModule", { value: true });
12
12
  var tslib_1 = require("tslib");
13
- var compression_1 = (0, tslib_1.__importDefault)(require("compression"));
14
- var express_1 = (0, tslib_1.__importDefault)(require("express"));
13
+ var compression_1 = tslib_1.__importDefault(require("compression"));
14
+ var express_1 = tslib_1.__importDefault(require("express"));
15
15
  var console_logger_1 = require("../../mol-util/console-logger");
16
16
  var config_1 = require("./config");
17
17
  var state_1 = require("./server/state");
@@ -10,11 +10,11 @@ import { ParameterControls } from '../../mol-plugin-ui/controls/parameters';
10
10
  import { useBehavior } from '../../mol-plugin-ui/hooks/use-behavior';
11
11
  import { PluginContextContainer } from '../../mol-plugin-ui/plugin';
12
12
  export function mountControls(orbitals, parent) {
13
- ReactDOM.render(_jsx(PluginContextContainer, __assign({ plugin: orbitals.plugin }, { children: _jsx(Controls, { orbitals: orbitals }, void 0) }), void 0), parent);
13
+ ReactDOM.render(_jsx(PluginContextContainer, __assign({ plugin: orbitals.plugin }, { children: _jsx(Controls, { orbitals: orbitals }) })), parent);
14
14
  }
15
15
  function Controls(_a) {
16
16
  var orbitals = _a.orbitals;
17
17
  var params = useBehavior(orbitals.params);
18
18
  var values = useBehavior(orbitals.state);
19
- return _jsx(ParameterControls, { params: params, values: values, onChangeValues: function (vs) { return orbitals.state.next(vs); } }, void 0);
19
+ return _jsx(ParameterControls, { params: params, values: values, onChangeValues: function (vs) { return orbitals.state.next(vs); } });
20
20
  }
@@ -12,7 +12,7 @@ var CustomToastMessage = /** @class */ (function (_super) {
12
12
  return _super !== null && _super.apply(this, arguments) || this;
13
13
  }
14
14
  CustomToastMessage.prototype.render = function () {
15
- return _jsxs(_Fragment, { children: ["Custom ", _jsx("i", { children: "Toast" }, void 0), " content. No timeout."] }, void 0);
15
+ return _jsxs(_Fragment, { children: ["Custom ", _jsx("i", { children: "Toast" }), " content. No timeout."] });
16
16
  };
17
17
  return CustomToastMessage;
18
18
  }(PluginUIComponent));
@@ -10,5 +10,5 @@ import { PluginContextContainer } from '../../../mol-plugin-ui/plugin';
10
10
  import { TransformUpdaterControl } from '../../../mol-plugin-ui/state/update-transform';
11
11
  import { StateElements } from '../helpers';
12
12
  export function volumeStreamingControls(plugin, parent) {
13
- ReactDOM.render(_jsx(PluginContextContainer, __assign({ plugin: plugin }, { children: _jsx(TransformUpdaterControl, { nodeRef: StateElements.VolumeStreaming }, void 0) }), void 0), parent);
13
+ ReactDOM.render(_jsx(PluginContextContainer, __assign({ plugin: plugin }, { children: _jsx(TransformUpdaterControl, { nodeRef: StateElements.VolumeStreaming }) })), parent);
14
14
  }
@@ -29,6 +29,7 @@ import { Color } from '../../mol-util/color';
29
29
  import { objectForEach } from '../../mol-util/object';
30
30
  import { readFromFile } from '../../mol-util/data-source';
31
31
  import { ColorNames } from '../../mol-util/color/names';
32
+ import { createBasic } from '../../mol-model-formats/structure/basic/schema';
32
33
  function getCellPackModelUrl(fileName, baseUrl) {
33
34
  return "".concat(baseUrl, "/results/").concat(fileName);
34
35
  }
@@ -358,12 +359,13 @@ function getCurve(plugin, name, ingredient, transforms, model) {
358
359
  case 0:
359
360
  cif = getCifCurve(name, transforms, model);
360
361
  curveModelTask = Task.create('Curve Model', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
361
- var format, models;
362
+ var format, basic, models;
362
363
  return __generator(this, function (_a) {
363
364
  switch (_a.label) {
364
365
  case 0:
365
366
  format = MmcifFormat.fromFrame(cif);
366
- return [4 /*yield*/, createModels(format.data.db, format, ctx)];
367
+ basic = createBasic(format.data.db, true);
368
+ return [4 /*yield*/, createModels(basic, format, ctx)];
367
369
  case 1:
368
370
  models = _a.sent();
369
371
  return [2 /*return*/, models.representative];
@@ -218,9 +218,9 @@ var ParseCellPack = PluginStateTransform.BuiltIn({
218
218
  }); });
219
219
  },
220
220
  dispose: function (_a) {
221
- var _b, _c;
221
+ var _b;
222
222
  var cache = _a.cache;
223
- (_c = (_b = cache) === null || _b === void 0 ? void 0 : _b.asset) === null || _c === void 0 ? void 0 : _c.dispose();
223
+ (_b = cache === null || cache === void 0 ? void 0 : cache.asset) === null || _b === void 0 ? void 0 : _b.dispose();
224
224
  },
225
225
  });
226
226
  export { StructureFromCellpack };
@@ -91,8 +91,8 @@ var GeometryExporterUI = /** @class */ (function (_super) {
91
91
  this.isARSupported = !!((_b = (_a = document.createElement('a').relList) === null || _a === void 0 ? void 0 : _a.supports) === null || _b === void 0 ? void 0 : _b.call(_a, 'ar'));
92
92
  }
93
93
  var ctrl = this.controls;
94
- return _jsxs(_Fragment, { children: [_jsx(ParameterControls, { params: GeometryParams, values: ctrl.behaviors.params.value, onChangeValues: function (xs) { return ctrl.behaviors.params.next(xs); }, isDisabled: this.state.busy }, void 0), _jsx(Button, __assign({ icon: GetAppSvg, onClick: this.save, style: { marginTop: 1 }, disabled: this.state.busy || !((_c = this.plugin.canvas3d) === null || _c === void 0 ? void 0 : _c.reprCount.value) }, { children: "Save" }), void 0), this.isARSupported && ctrl.behaviors.params.value.format === 'usdz' &&
95
- _jsx(Button, __assign({ icon: CubeScanSvg, onClick: this.viewInAR, style: { marginTop: 1 }, disabled: this.state.busy || !((_d = this.plugin.canvas3d) === null || _d === void 0 ? void 0 : _d.reprCount.value) }, { children: "View in AR" }), void 0)] }, void 0);
94
+ return _jsxs(_Fragment, { children: [_jsx(ParameterControls, { params: GeometryParams, values: ctrl.behaviors.params.value, onChangeValues: function (xs) { return ctrl.behaviors.params.next(xs); }, isDisabled: this.state.busy }), _jsx(Button, __assign({ icon: GetAppSvg, onClick: this.save, style: { marginTop: 1 }, disabled: this.state.busy || !((_c = this.plugin.canvas3d) === null || _c === void 0 ? void 0 : _c.reprCount.value) }, { children: "Save" })), this.isARSupported && ctrl.behaviors.params.value.format === 'usdz' &&
95
+ _jsx(Button, __assign({ icon: CubeScanSvg, onClick: this.viewInAR, style: { marginTop: 1 }, disabled: this.state.busy || !((_d = this.plugin.canvas3d) === null || _d === void 0 ? void 0 : _d.reprCount.value) }, { children: "View in AR" }))] });
96
96
  };
97
97
  GeometryExporterUI.prototype.componentDidMount = function () {
98
98
  var _this = this;