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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  654. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
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  663. package/lib/mol-io/writer/cif/encoder.js +2 -1
  664. package/lib/mol-model/sequence/sequence.js +2 -1
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  666. package/lib/mol-model/structure/model/types/saccharides.js +8 -0
  667. package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  668. package/lib/mol-model/structure/structure/carbohydrates/constants.js +6 -9
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  677. package/lib/mol-model-formats/structure/cif-core.js +4 -4
  678. package/lib/mol-model-formats/structure/common/component.js +5 -1
  679. package/lib/mol-model-formats/structure/cube.js +3 -3
  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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  685. package/lib/mol-model-formats/structure/nctraj.d.ts +9 -0
  686. package/lib/mol-model-formats/structure/nctraj.js +56 -0
  687. package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
  688. package/lib/mol-model-formats/structure/pdb.js +5 -3
  689. package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
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  692. package/lib/mol-model-formats/structure/psf.js +3 -1
  693. package/lib/mol-model-formats/structure/top.d.ts +16 -0
  694. package/lib/mol-model-formats/structure/top.js +186 -0
  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
  700. package/lib/mol-plugin/context.d.ts +2 -1
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  709. package/lib/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
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  711. package/lib/mol-plugin-state/formats/registry.d.ts +3 -3
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  714. package/lib/mol-plugin-state/formats/topology.js +84 -0
  715. package/lib/mol-plugin-state/helpers/structure-component.js +2 -1
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  717. package/lib/mol-plugin-state/objects.d.ts +47 -1
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  722. package/lib/mol-plugin-state/transforms/model.js +112 -3
  723. package/lib/mol-plugin-ui/base.js +1 -1
  724. package/lib/mol-plugin-ui/controls/action-menu.js +7 -7
  725. package/lib/mol-plugin-ui/controls/color.js +3 -3
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  745. package/lib/mol-plugin-ui/state/update-transform.js +1 -1
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  765. package/lib/mol-theme/color/hydrophobicity.js +2 -2
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  767. package/lib/mol-util/file-info.d.ts +1 -3
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  769. package/lib/mol-util/index.d.ts +1 -0
  770. package/lib/mol-util/index.js +5 -0
  771. package/lib/mol-util/zip/deflate.js +2 -1
  772. package/lib/mol-util/zip/zip.d.ts +7 -1
  773. package/lib/mol-util/zip/zip.js +5 -1
  774. package/lib/servers/model/config.d.ts +2 -2
  775. package/package.json +16 -16
  776. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
  777. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -1,6 +1,6 @@
1
1
  "use strict";
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  /**
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- * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
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+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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  *
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  * @author Alexander Rose <alexander.rose@weirdbyte.de>
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  */
@@ -9,11 +9,8 @@ exports.getFileInfo = void 0;
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  // TODO only support compressed files for which uncompression support is available???
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  // TODO store globally with decompression plugins?
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  var compressedExtList = ['gz', 'zip'];
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- // TODO store globally with parser plugins?
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- var binaryExtList = ['bcif', 'ccp4', 'dcd'];
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  function getFileInfo(file) {
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  var path;
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- var compressed;
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  var protocol = '';
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  if (file instanceof File) {
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  path = file.name;
@@ -38,16 +35,11 @@ function getFileInfo(file) {
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  }
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  var dir = path.substring(0, path.lastIndexOf('/') + 1);
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  if (compressedExtList.includes(ext)) {
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- compressed = ext;
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  var n = path.length - ext.length - 1;
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  ext = (path.substr(0, n).split('.').pop() || '').toLowerCase();
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  var m = base.length - ext.length - 1;
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  base = base.substr(0, m);
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  }
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- else {
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- compressed = false;
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- }
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- var binary = binaryExtList.includes(ext);
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- return { path: path, name: name, ext: ext, base: base, dir: dir, compressed: compressed, binary: binary, protocol: protocol, query: query, src: file };
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+ return { path: path, name: name, ext: ext, base: base, dir: dir, protocol: protocol, query: query, src: file };
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  }
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  exports.getFileInfo = getFileInfo;
@@ -11,7 +11,7 @@ exports.GraphQLClient = exports.ClientError = void 0;
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  var tslib_1 = require("tslib");
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  var assets_1 = require("./assets");
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  var ClientError = /** @class */ (function (_super) {
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- (0, tslib_1.__extends)(ClientError, _super);
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+ tslib_1.__extends(ClientError, _super);
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  function ClientError(response, request) {
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  var _this = this;
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  var message = "".concat(ClientError.extractMessage(response), ": ").concat(JSON.stringify({ response: response, request: request }));
@@ -36,9 +36,9 @@ var GraphQLClient = /** @class */ (function () {
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  this.assetManager = assetManager;
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  }
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  GraphQLClient.prototype.request = function (ctx, query, variables) {
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- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
39
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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  var body, url, result, errorResult;
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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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  body = JSON.stringify({ query: query, variables: variables }, null, 2);
@@ -54,7 +54,7 @@ var GraphQLClient = /** @class */ (function () {
54
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  }
55
55
  else {
56
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  errorResult = typeof result.data === 'string' ? { error: result.data } : result.data;
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- throw new ClientError((0, tslib_1.__assign)({}, errorResult), { query: query, variables: variables });
57
+ throw new ClientError(tslib_1.__assign({}, errorResult), { query: query, variables: variables });
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  }
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  return [2 /*return*/];
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  }
@@ -27,3 +27,4 @@ export declare const assign: (<T>(o: T, ...from: any[]) => T);
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  export declare const merge: (<T>(source: T, ...rest: Partial<T>[]) => T);
28
28
  export declare function formatTime(d: Date): string;
29
29
  export declare function formatProgress(p: Progress): string;
30
+ export declare function formatBytes(count: number): string;
@@ -6,7 +6,7 @@
6
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  * @author Alexander Rose <alexander.rose@weirdbyte.de>
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  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.formatProgress = exports.formatTime = exports.merge = exports.assign = exports.shallowClone = exports.extend = exports.defaults = exports.shallowEqualArrays = exports.shallowEqualObjects = exports.shallowEqual = exports.deepEqual = exports.arrayEqual = exports.round = exports.noop = exports.Mask = exports.UUID = exports.StringBuilder = exports.BitFlags = void 0;
9
+ exports.formatBytes = exports.formatProgress = exports.formatTime = exports.merge = exports.assign = exports.shallowClone = exports.extend = exports.defaults = exports.shallowEqualArrays = exports.shallowEqualObjects = exports.shallowEqual = exports.deepEqual = exports.arrayEqual = exports.round = exports.noop = exports.Mask = exports.UUID = exports.StringBuilder = exports.BitFlags = void 0;
10
10
  var tslib_1 = require("tslib");
11
11
  var bit_flags_1 = require("./bit-flags");
12
12
  Object.defineProperty(exports, "BitFlags", { enumerable: true, get: function () { return bit_flags_1.BitFlags; } });
@@ -16,7 +16,7 @@ var uuid_1 = require("./uuid");
16
16
  Object.defineProperty(exports, "UUID", { enumerable: true, get: function () { return uuid_1.UUID; } });
17
17
  var mask_1 = require("./mask");
18
18
  Object.defineProperty(exports, "Mask", { enumerable: true, get: function () { return mask_1.Mask; } });
19
- (0, tslib_1.__exportStar)(require("./value-cell"), exports);
19
+ tslib_1.__exportStar(require("./value-cell"), exports);
20
20
  var noop = function () { };
21
21
  exports.noop = noop;
22
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  function round(n, d) {
@@ -219,3 +219,9 @@ function formatProgress(p) {
219
219
  return "".concat(tp.message, " ").concat(x, "%");
220
220
  }
221
221
  exports.formatProgress = formatProgress;
222
+ function formatBytes(count) {
223
+ var units = ['B', 'KB', 'MB', 'GB', 'TB', 'PB', 'EB', 'ZB', 'YB'];
224
+ var i = Math.floor(Math.log(count) / Math.log(1024));
225
+ return "".concat((count / Math.pow(1024, i)).toFixed(2), " ").concat(units[i]);
226
+ }
227
+ exports.formatBytes = formatBytes;
@@ -128,13 +128,13 @@ var InputObserver;
128
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  (function (InputObserver) {
129
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  function create(props) {
130
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  if (props === void 0) { props = {}; }
131
- var _a = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultInputObserverProps), props), noScroll = _a.noScroll, noContextMenu = _a.noContextMenu;
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- return (0, tslib_1.__assign)((0, tslib_1.__assign)({ noScroll: noScroll, noContextMenu: noContextMenu, width: 0, height: 0, pixelRatio: 1 }, createEvents()), { dispose: mol_util_1.noop });
131
+ var _a = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultInputObserverProps), props), noScroll = _a.noScroll, noContextMenu = _a.noContextMenu;
132
+ return tslib_1.__assign(tslib_1.__assign({ noScroll: noScroll, noContextMenu: noContextMenu, width: 0, height: 0, pixelRatio: 1 }, createEvents()), { dispose: mol_util_1.noop });
133
133
  }
134
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  InputObserver.create = create;
135
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  function fromElement(element, props) {
136
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  if (props === void 0) { props = {}; }
137
- var _a = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultInputObserverProps), props), noScroll = _a.noScroll, noMiddleClickScroll = _a.noMiddleClickScroll, noContextMenu = _a.noContextMenu, noPinchZoom = _a.noPinchZoom, noTextSelect = _a.noTextSelect, mask = _a.mask, pixelScale = _a.pixelScale, preventGestures = _a.preventGestures;
137
+ var _a = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultInputObserverProps), props), noScroll = _a.noScroll, noMiddleClickScroll = _a.noMiddleClickScroll, noContextMenu = _a.noContextMenu, noPinchZoom = _a.noPinchZoom, noTextSelect = _a.noTextSelect, mask = _a.mask, pixelScale = _a.pixelScale, preventGestures = _a.preventGestures;
138
138
  var width = element.clientWidth * pixelRatio();
139
139
  var height = element.clientHeight * pixelRatio();
140
140
  var lastTouchDistance = 0, lastTouchFraction = 0;
@@ -153,7 +153,7 @@ var InputObserver;
153
153
  return window.devicePixelRatio * pixelScale;
154
154
  }
155
155
  function getModifierKeys() {
156
- return (0, tslib_1.__assign)({}, modifierKeys);
156
+ return tslib_1.__assign({}, modifierKeys);
157
157
  }
158
158
  var dragging = 0 /* Stopped */;
159
159
  var disposed = false;
@@ -163,7 +163,7 @@ var InputObserver;
163
163
  var events = createEvents();
164
164
  var drag = events.drag, interactionEnd = events.interactionEnd, wheel = events.wheel, pinch = events.pinch, gesture = events.gesture, click = events.click, move = events.move, leave = events.leave, enter = events.enter, resize = events.resize, modifiers = events.modifiers, key = events.key;
165
165
  attach();
166
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({ get noScroll() { return noScroll; },
166
+ return tslib_1.__assign(tslib_1.__assign({ get noScroll() { return noScroll; },
167
167
  set noScroll(value) { noScroll = value; },
168
168
  get noContextMenu() { return noContextMenu; },
169
169
  set noContextMenu(value) { noContextMenu = value; },
@@ -455,7 +455,7 @@ var InputObserver;
455
455
  var normalized = normalizeWheel(ev);
456
456
  buttons = button = 4 /* Auxilary */;
457
457
  if (normalized.dx || normalized.dy || normalized.dz) {
458
- wheel.next((0, tslib_1.__assign)((0, tslib_1.__assign)({ x: x, y: y, pageX: pageX, pageY: pageY }, normalized), { buttons: buttons, button: button, modifiers: getModifierKeys() }));
458
+ wheel.next(tslib_1.__assign(tslib_1.__assign({ x: x, y: y, pageX: pageX, pageY: pageY }, normalized), { buttons: buttons, button: button, modifiers: getModifierKeys() }));
459
459
  }
460
460
  }
461
461
  function tryPreventGesture(ev) {
@@ -7,7 +7,7 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.makeDir = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var fs = (0, tslib_1.__importStar)(require("fs"));
10
+ var fs = tslib_1.__importStar(require("fs"));
11
11
  function makeDir(path, root) {
12
12
  var dirs = path.split(/\/|\\/g), dir = dirs.shift();
13
13
  root = (root || '') + dir + '/';
@@ -9,7 +9,7 @@ exports.Material = void 0;
9
9
  var tslib_1 = require("tslib");
10
10
  var param_definition_1 = require("./param-definition");
11
11
  function Material(values) {
12
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, Material.Zero), values);
12
+ return tslib_1.__assign(tslib_1.__assign({}, Material.Zero), values);
13
13
  }
14
14
  exports.Material = Material;
15
15
  (function (Material) {
@@ -31,7 +31,7 @@ exports.Material = Material;
31
31
  metalness: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 1, step: 0.01 }),
32
32
  roughness: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 1, step: 0.01 }),
33
33
  bumpiness: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 1, step: 0.01 }),
34
- }, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, info), { presets: [
34
+ }, tslib_1.__assign(tslib_1.__assign({}, info), { presets: [
35
35
  [{ metalness: 0, roughness: 1, bumpiness: 0 }, 'Matte'],
36
36
  [{ metalness: 0, roughness: 0.2, bumpiness: 0 }, 'Plastic'],
37
37
  [{ metalness: 0, roughness: 0.6, bumpiness: 0 }, 'Glossy'],
@@ -113,7 +113,7 @@ var MonadicParser = /** @class */ (function () {
113
113
  };
114
114
  ;
115
115
  MonadicParser.prototype.atLeast = function (n) {
116
- return MonadicParser.seq(this.times(n), this.many()).map(function (r) { return (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], r[0], true), r[1], true); });
116
+ return MonadicParser.seq(this.times(n), this.many()).map(function (r) { return tslib_1.__spreadArray(tslib_1.__spreadArray([], r[0], true), r[1], true); });
117
117
  };
118
118
  ;
119
119
  MonadicParser.prototype.map = function (f) {
@@ -237,7 +237,7 @@ exports.MonadicParser = MonadicParser;
237
237
  MonadicParser.sepBy = sepBy;
238
238
  function sepBy1(parser, separator) {
239
239
  var pairs = separator.then(parser).many();
240
- return seq(parser, pairs).map(function (r) { return (0, tslib_1.__spreadArray)([r[0]], r[1], true); });
240
+ return seq(parser, pairs).map(function (r) { return tslib_1.__spreadArray([r[0]], r[1], true); });
241
241
  }
242
242
  MonadicParser.sepBy1 = sepBy1;
243
243
  function string(str) {
@@ -45,7 +45,7 @@ var ParamDefinition;
45
45
  return param;
46
46
  }
47
47
  function Optional(p) {
48
- var ret = (0, tslib_1.__assign)({}, p);
48
+ var ret = tslib_1.__assign({}, p);
49
49
  ret.isOptional = true;
50
50
  return ret;
51
51
  }
@@ -417,9 +417,9 @@ var ParamDefinition;
417
417
  ParamDefinition.isParamEqual = isParamEqual;
418
418
  function merge(params, a, b) {
419
419
  if (a === undefined)
420
- return (0, tslib_1.__assign)({}, b);
420
+ return tslib_1.__assign({}, b);
421
421
  if (b === undefined)
422
- return (0, tslib_1.__assign)({}, a);
422
+ return tslib_1.__assign({}, a);
423
423
  var o = Object.create(null);
424
424
  for (var _a = 0, _b = Object.keys(params); _a < _b.length; _a++) {
425
425
  var k = _b[_a];
@@ -430,16 +430,16 @@ var ParamDefinition;
430
430
  ParamDefinition.merge = merge;
431
431
  function mergeParam(p, a, b) {
432
432
  if (a === undefined)
433
- return typeof b === 'object' && !Array.isArray(b) ? (0, tslib_1.__assign)({}, b) : b;
433
+ return typeof b === 'object' && !Array.isArray(b) ? tslib_1.__assign({}, b) : b;
434
434
  if (b === undefined)
435
- return typeof a === 'object' && !Array.isArray(a) ? (0, tslib_1.__assign)({}, a) : a;
435
+ return typeof a === 'object' && !Array.isArray(a) ? tslib_1.__assign({}, a) : a;
436
436
  if (p.type === 'group') {
437
437
  return merge(p.params, a, b);
438
438
  }
439
439
  else if (p.type === 'mapped') {
440
440
  var u = a, v = b;
441
441
  if (u.name !== v.name)
442
- return (0, tslib_1.__assign)({}, v);
442
+ return tslib_1.__assign({}, v);
443
443
  var map = p.map(v.name);
444
444
  return {
445
445
  name: v.name,
@@ -453,7 +453,7 @@ var ParamDefinition;
453
453
  if (Array.isArray(b)) {
454
454
  return b;
455
455
  }
456
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, a), b);
456
+ return tslib_1.__assign(tslib_1.__assign({}, a), b);
457
457
  }
458
458
  else {
459
459
  return b;
@@ -36,9 +36,9 @@ function readFileAsBuffer(file) {
36
36
  }
37
37
  exports.readFileAsBuffer = readFileAsBuffer;
38
38
  function readUrl(url, isBinary) {
39
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
39
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
40
40
  var response, _a, _b;
41
- return (0, tslib_1.__generator)(this, function (_c) {
41
+ return tslib_1.__generator(this, function (_c) {
42
42
  switch (_c.label) {
43
43
  case 0: return [4 /*yield*/, fetch(url)];
44
44
  case 1:
@@ -9,9 +9,9 @@ exports.retryIf = void 0;
9
9
  var tslib_1 = require("tslib");
10
10
  function retryIf(promiseProvider, params) {
11
11
  var _a;
12
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
12
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
13
13
  var count, result, e_1;
14
- return (0, tslib_1.__generator)(this, function (_b) {
14
+ return tslib_1.__generator(this, function (_b) {
15
15
  switch (_b.label) {
16
16
  case 0:
17
17
  count = 0;
@@ -74,7 +74,7 @@ exports.substringStartsWith = substringStartsWith;
74
74
  function interpolate(str, params) {
75
75
  var names = Object.keys(params);
76
76
  var values = Object.values(params);
77
- return new (Function.bind.apply(Function, (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([void 0], names, false), ["return `".concat(str, "`;")], false)))().apply(void 0, values);
77
+ return new (Function.bind.apply(Function, tslib_1.__spreadArray(tslib_1.__spreadArray([void 0], names, false), ["return `".concat(str, "`;")], false)))().apply(void 0, values);
78
78
  }
79
79
  exports.interpolate = interpolate;
80
80
  function trimChar(str, char) {
@@ -10,6 +10,7 @@
10
10
  Object.defineProperty(exports, "__esModule", { value: true });
11
11
  exports._deflateRaw = void 0;
12
12
  var tslib_1 = require("tslib");
13
+ var type_helpers_1 = require("../type-helpers");
13
14
  var huffman_1 = require("./huffman");
14
15
  var util_1 = require("./util");
15
16
  function DeflateContext(data, out, opos, lvl) {
@@ -108,9 +109,9 @@ var Opts = [
108
109
  /* 9 */ [32, 258, 258, 4096, 1] /* max compression */
109
110
  ];
110
111
  function _deflateRaw(runtime, data, out, opos, lvl) {
111
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
112
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
112
113
  var ctx, dlen, i_1, pos_1, len, li, cvrd, pos, i, lits, bs, ebits;
113
- return (0, tslib_1.__generator)(this, function (_a) {
114
+ return tslib_1.__generator(this, function (_a) {
114
115
  switch (_a.label) {
115
116
  case 0:
116
117
  ctx = DeflateContext(data, out, opos, lvl);
@@ -266,7 +267,7 @@ function _writeBlock(BFINAL, lits, li, ebits, data, o0, l0, out, pos) {
266
267
  pos = _codeTiny(dset, util_1.U.itree, out, pos);
267
268
  }
268
269
  else {
269
- throw new Error("unknown BTYPE ".concat(BTYPE));
270
+ (0, type_helpers_1.assertUnreachable)(BTYPE);
270
271
  }
271
272
  var off = o0;
272
273
  for (var si = 0; si < li; si += 2) {
@@ -135,9 +135,9 @@ function inflateBlocks(ctx, count) {
135
135
  }
136
136
  // https://tools.ietf.org/html/rfc1951
137
137
  function _inflate(runtime, data, buf) {
138
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
138
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
139
139
  var ctx;
140
- return (0, tslib_1.__generator)(this, function (_a) {
140
+ return tslib_1.__generator(this, function (_a) {
141
141
  switch (_a.label) {
142
142
  case 0:
143
143
  if (data[0] === 3 && data[1] === 0)
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  *
@@ -9,6 +9,12 @@
9
9
  * - added `ungzip`
10
10
  */
11
11
  import { RuntimeContext, Task } from '../../mol-task';
12
+ export declare function Unzip(buf: ArrayBuffer, onlyNames?: boolean): Task<{
13
+ [k: string]: Uint8Array | {
14
+ size: number;
15
+ csize: number;
16
+ };
17
+ }>;
12
18
  export declare function unzip(runtime: RuntimeContext, buf: ArrayBuffer, onlyNames?: boolean): Promise<{
13
19
  [k: string]: Uint8Array | {
14
20
  size: number;
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
6
  *
@@ -10,18 +10,23 @@
10
10
  * - added `ungzip`
11
11
  */
12
12
  Object.defineProperty(exports, "__esModule", { value: true });
13
- exports.zip = exports.Zip = exports.deflate = exports.ungzip = exports.inflate = exports.inflateRaw = exports.unzip = void 0;
13
+ exports.zip = exports.Zip = exports.deflate = exports.ungzip = exports.inflate = exports.inflateRaw = exports.unzip = exports.Unzip = void 0;
14
14
  var tslib_1 = require("tslib");
15
15
  var bin_1 = require("./bin");
16
16
  var checksum_1 = require("./checksum");
17
17
  var inflate_1 = require("./inflate");
18
18
  var deflate_1 = require("./deflate");
19
19
  var mol_task_1 = require("../../mol-task");
20
+ function Unzip(buf, onlyNames) {
21
+ if (onlyNames === void 0) { onlyNames = false; }
22
+ return mol_task_1.Task.create('Unzip', function (ctx) { return unzip(ctx, buf, onlyNames); });
23
+ }
24
+ exports.Unzip = Unzip;
20
25
  function unzip(runtime, buf, onlyNames) {
21
26
  if (onlyNames === void 0) { onlyNames = false; }
22
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
27
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
23
28
  var out, data, eocd, o, cnu, coffs, i, csize, usize, nl, el, cl, roff;
24
- return (0, tslib_1.__generator)(this, function (_a) {
29
+ return tslib_1.__generator(this, function (_a) {
25
30
  switch (_a.label) {
26
31
  case 0:
27
32
  out = Object.create(null);
@@ -80,9 +85,9 @@ function unzip(runtime, buf, onlyNames) {
80
85
  }
81
86
  exports.unzip = unzip;
82
87
  function _readLocal(runtime, data, o, out, csize, usize, onlyNames) {
83
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
88
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
84
89
  var cmpr, nlen, elen, name, file, buf;
85
- return (0, tslib_1.__generator)(this, function (_a) {
90
+ return tslib_1.__generator(this, function (_a) {
86
91
  switch (_a.label) {
87
92
  case 0:
88
93
  // const sign = readUint(data, o);
@@ -130,8 +135,8 @@ function _readLocal(runtime, data, o, out, csize, usize, onlyNames) {
130
135
  });
131
136
  }
132
137
  function inflateRaw(runtime, file, buf) {
133
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
134
- return (0, tslib_1.__generator)(this, function (_a) {
138
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
139
+ return tslib_1.__generator(this, function (_a) {
135
140
  return [2 /*return*/, (0, inflate_1._inflate)(runtime, file, buf)];
136
141
  });
137
142
  });
@@ -148,9 +153,9 @@ function inflate(runtime, file, buf) {
148
153
  exports.inflate = inflate;
149
154
  // https://tools.ietf.org/html/rfc1952
150
155
  function ungzip(runtime, file, buf) {
151
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
156
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
152
157
  var flg, o, xlen, zero, zero, crc32, isize, blocks, inflated, crcValue;
153
- return (0, tslib_1.__generator)(this, function (_a) {
158
+ return tslib_1.__generator(this, function (_a) {
154
159
  switch (_a.label) {
155
160
  case 0:
156
161
  flg = file[3];
@@ -200,9 +205,9 @@ function ungzip(runtime, file, buf) {
200
205
  }
201
206
  exports.ungzip = ungzip;
202
207
  function deflate(runtime, data, opts /* , buf, off*/) {
203
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
208
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
204
209
  var off, buf, crcValue;
205
- return (0, tslib_1.__generator)(this, function (_a) {
210
+ return tslib_1.__generator(this, function (_a) {
206
211
  switch (_a.label) {
207
212
  case 0:
208
213
  if (opts === undefined)
@@ -227,9 +232,9 @@ function deflate(runtime, data, opts /* , buf, off*/) {
227
232
  }
228
233
  exports.deflate = deflate;
229
234
  function deflateRaw(runtime, data, opts) {
230
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
235
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
231
236
  var buf, off;
232
- return (0, tslib_1.__generator)(this, function (_a) {
237
+ return tslib_1.__generator(this, function (_a) {
233
238
  switch (_a.label) {
234
239
  case 0:
235
240
  if (opts === undefined)
@@ -250,10 +255,10 @@ function Zip(obj, noCmpr) {
250
255
  exports.Zip = Zip;
251
256
  function zip(runtime, obj, noCmpr) {
252
257
  if (noCmpr === void 0) { noCmpr = false; }
253
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
258
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
254
259
  var tot, zpd, _a, _b, _i, p, cpr, buf, crcValue, _c, _d, _e, p, data, o, fof, p, file, i, ioff, p, file, csize;
255
260
  var _f;
256
- return (0, tslib_1.__generator)(this, function (_g) {
261
+ return tslib_1.__generator(this, function (_g) {
257
262
  switch (_g.label) {
258
263
  case 0:
259
264
  tot = 0;
@@ -8,7 +8,7 @@
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
9
  exports.fileHandleFromDescriptor = void 0;
10
10
  var tslib_1 = require("tslib");
11
- var fs = (0, tslib_1.__importStar)(require("fs"));
11
+ var fs = tslib_1.__importStar(require("fs"));
12
12
  var simple_buffer_1 = require("../../mol-io/common/simple-buffer");
13
13
  var mol_util_1 = require("../../mol-util");
14
14
  function fileHandleFromDescriptor(file, name) {
@@ -7,7 +7,7 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.swaggerUiIndexHandler = exports.swaggerUiAssetsHandler = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var express = (0, tslib_1.__importStar)(require("express"));
10
+ var express = tslib_1.__importStar(require("express"));
11
11
  var swagger_ui_dist_1 = require("swagger-ui-dist");
12
12
  var string_1 = require("../../../mol-util/string");
13
13
  var indexTemplate_1 = require("./indexTemplate");
@@ -53,7 +53,7 @@ declare const DefaultModelServerConfig: {
53
53
  *
54
54
  * /static query uses 'pdb-cif' and 'pdb-bcif' source names.
55
55
  */
56
- sourceMap: ([string, string] | [string, string, "bcif" | "cif" | "cif.gz" | "bcif.gz"])[];
56
+ sourceMap: ([string, string] | [string, string, "cif" | "bcif" | "cif.gz" | "bcif.gz"])[];
57
57
  };
58
58
  export declare const ModelServerFetchFormats: readonly ["cif", "bcif", "cif.gz", "bcif.gz"];
59
59
  export declare type ModelServerFetchFormats = (typeof ModelServerFetchFormats)[number];
@@ -108,7 +108,7 @@ export declare const ModelServerConfig: {
108
108
  *
109
109
  * /static query uses 'pdb-cif' and 'pdb-bcif' source names.
110
110
  */
111
- sourceMap: ([string, string] | [string, string, "bcif" | "cif" | "cif.gz" | "bcif.gz"])[];
111
+ sourceMap: ([string, string] | [string, string, "cif" | "bcif" | "cif.gz" | "bcif.gz"])[];
112
112
  };
113
113
  export declare const ModelServerConfigTemplate: ModelServerConfig;
114
114
  export declare function configureServer(): void;
@@ -7,10 +7,10 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.configureServer = exports.ModelServerConfigTemplate = exports.ModelServerConfig = exports.mapSourceAndIdToFilename = exports.ModelServerFetchFormats = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
10
+ var argparse = tslib_1.__importStar(require("argparse"));
11
11
  var type_helpers_1 = require("../../mol-util/type-helpers");
12
12
  var version_1 = require("./version");
13
- var fs = (0, tslib_1.__importStar)(require("fs"));
13
+ var fs = tslib_1.__importStar(require("fs"));
14
14
  var DefaultModelServerConfig = {
15
15
  // 0 for off
16
16
  cacheMaxSizeInBytes: 2 * 1014 * 1024 * 1024,
@@ -185,8 +185,8 @@ function addServerArgs(parser) {
185
185
  ].join('\n'),
186
186
  });
187
187
  }
188
- exports.ModelServerConfig = (0, tslib_1.__assign)({}, DefaultModelServerConfig);
189
- exports.ModelServerConfigTemplate = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, DefaultModelServerConfig), { defaultSource: 'pdb-bcif', sourceMap: [
188
+ exports.ModelServerConfig = tslib_1.__assign({}, DefaultModelServerConfig);
189
+ exports.ModelServerConfigTemplate = tslib_1.__assign(tslib_1.__assign({}, DefaultModelServerConfig), { defaultSource: 'pdb-bcif', sourceMap: [
190
190
  ['pdb-bcif', './path-to-binary-cif/${id.substr(1, 2)}/${id}.bcif'],
191
191
  ['pdb-cif', './path-to-text-cif/${id.substr(1, 2)}/${id}.cif'],
192
192
  ['pdb-updated', 'https://www.ebi.ac.uk/pdbe/entry-files/download/${id}_updated.cif', 'cif']
@@ -222,7 +222,7 @@ function validateConfigAndSetupSourceMap() {
222
222
  if (!exports.ModelServerConfig.sourceMap || exports.ModelServerConfig.sourceMap.length === 0) {
223
223
  throw new Error("Please provide 'sourceMap' configuration. See [-h] for available options.");
224
224
  }
225
- exports.mapSourceAndIdToFilename = new Function('source', 'id', (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([
225
+ exports.mapSourceAndIdToFilename = new Function('source', 'id', tslib_1.__spreadArray(tslib_1.__spreadArray([
226
226
  'switch (source.toLowerCase()) {'
227
227
  ], exports.ModelServerConfig.sourceMap.map(function (_a) {
228
228
  var source = _a[0], path = _a[1], format = _a[2];
@@ -31,9 +31,9 @@ function classify(name, field) {
31
31
  }
32
32
  function classifyCif(frame) {
33
33
  var _this = this;
34
- return mol_task_1.Task.create('Classify CIF Data', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
34
+ return mol_task_1.Task.create('Classify CIF Data', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
35
35
  var maxProgress, _i, _a, c, ret, current, _b, _c, c, cat, fields, _d, _e, f, cifField;
36
- return (0, tslib_1.__generator)(this, function (_f) {
36
+ return tslib_1.__generator(this, function (_f) {
37
37
  switch (_f.label) {
38
38
  case 0:
39
39
  maxProgress = 0;
@@ -6,9 +6,9 @@
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  var tslib_1 = require("tslib");
9
- var fs = (0, tslib_1.__importStar)(require("fs"));
10
- var path = (0, tslib_1.__importStar)(require("path"));
11
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
9
+ var fs = tslib_1.__importStar(require("fs"));
10
+ var path = tslib_1.__importStar(require("path"));
11
+ var argparse = tslib_1.__importStar(require("argparse"));
12
12
  var parallel_1 = require("./parallel");
13
13
  function description() {
14
14
  var exampleCfg = {
@@ -7,8 +7,8 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.runChild = exports.runMaster = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var path = (0, tslib_1.__importStar)(require("path"));
11
- var cluster_1 = (0, tslib_1.__importDefault)(require("cluster"));
10
+ var path = tslib_1.__importStar(require("path"));
11
+ var cluster_1 = tslib_1.__importDefault(require("cluster"));
12
12
  var now_1 = require("../../../mol-util/now");
13
13
  var performance_monitor_1 = require("../../../mol-util/performance-monitor");
14
14
  var preprocess_1 = require("./preprocess");
@@ -47,9 +47,9 @@ function runChild() {
47
47
  var _this = this;
48
48
  process.on('message', function (_a) {
49
49
  var entries = _a.entries, config = _a.config;
50
- return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
50
+ return tslib_1.__awaiter(_this, void 0, void 0, function () {
51
51
  var props, _i, entries_1, entry, e_1;
52
- return (0, tslib_1.__generator)(this, function (_b) {
52
+ return tslib_1.__generator(this, function (_b) {
53
53
  switch (_b.label) {
54
54
  case 0:
55
55
  props = (0, property_provider_1.createModelPropertiesProvider)(config.customProperties);
@@ -85,9 +85,9 @@ function runChild() {
85
85
  }
86
86
  exports.runChild = runChild;
87
87
  function runSingle(entry, config, onMessage) {
88
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
88
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
89
89
  var props, e_2;
90
- return (0, tslib_1.__generator)(this, function (_a) {
90
+ return tslib_1.__generator(this, function (_a) {
91
91
  switch (_a.label) {
92
92
  case 0:
93
93
  props = (0, property_provider_1.createModelPropertiesProvider)(config.customProperties);
@@ -20,9 +20,9 @@ function preprocessFile(filename, propertyProvider, outputCif, outputBcif) {
20
20
  }
21
21
  exports.preprocessFile = preprocessFile;
22
22
  function preprocess(filename, propertyProvider, outputCif, outputBcif) {
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 input, categories, inputStructures, exportCtx, writer, encoder, writer, encoder;
25
- return (0, tslib_1.__generator)(this, function (_a) {
25
+ return tslib_1.__generator(this, function (_a) {
26
26
  switch (_a.label) {
27
27
  case 0: return [4 /*yield*/, (0, structure_wrapper_1.readStructureWrapper)('entry', '_local_', filename, void 0, propertyProvider)];
28
28
  case 1:
@@ -52,9 +52,9 @@ function preprocess(filename, propertyProvider, outputCif, outputBcif) {
52
52
  });
53
53
  }
54
54
  function convert(filename, outputCif, outputBcif) {
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 frame, categories, writer, encoder, writer, encoder;
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: return [4 /*yield*/, (0, structure_wrapper_1.readDataAndFrame)(filename)];
60
60
  case 1:
@@ -7,7 +7,7 @@
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
9
  var tslib_1 = require("tslib");
10
- var cluster_1 = (0, tslib_1.__importDefault)(require("cluster"));
10
+ var cluster_1 = tslib_1.__importDefault(require("cluster"));
11
11
  var parallel_1 = require("./preprocess/parallel");
12
12
  if (cluster_1.default.isPrimary) {
13
13
  require('./preprocess/master');