molstar 3.3.0 → 3.5.0

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 (905) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -194
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/docking-viewer/viewport.js +1 -1
  8. package/lib/apps/viewer/app.d.ts +7 -6
  9. package/lib/apps/viewer/app.js +2 -0
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.html +106 -106
  12. package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  13. package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
  14. package/lib/cli/cif2bcif/converter.js +1 -1
  15. package/lib/cli/cif2bcif/index.js +4 -4
  16. package/lib/commonjs/apps/docking-viewer/index.js +12 -12
  17. package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
  18. package/lib/commonjs/apps/viewer/app.d.ts +7 -6
  19. package/lib/commonjs/apps/viewer/app.js +24 -22
  20. package/lib/commonjs/apps/viewer/index.js +1 -1
  21. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
  22. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  23. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
  24. package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
  25. package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
  26. package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
  27. package/lib/commonjs/cli/cif2bcif/index.js +12 -12
  28. package/lib/commonjs/cli/cifschema/index.js +27 -27
  29. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
  30. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  31. package/lib/commonjs/cli/state-docs/index.js +2 -2
  32. package/lib/commonjs/cli/structure-info/helpers.js +11 -11
  33. package/lib/commonjs/cli/structure-info/model.js +15 -15
  34. package/lib/commonjs/cli/structure-info/volume.js +9 -9
  35. package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
  36. package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
  37. package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
  38. package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
  39. package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
  40. package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
  41. package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
  42. package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
  43. package/lib/commonjs/examples/lighting/index.js +6 -6
  44. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
  45. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
  46. package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
  47. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
  48. package/lib/commonjs/examples/task.js +15 -15
  49. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
  50. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
  51. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
  52. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
  53. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
  54. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
  55. package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
  56. package/lib/commonjs/extensions/anvil/behavior.js +14 -14
  57. package/lib/commonjs/extensions/anvil/prop.js +7 -7
  58. package/lib/commonjs/extensions/anvil/representation.js +5 -5
  59. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  60. package/lib/commonjs/extensions/cellpack/model.js +26 -24
  61. package/lib/commonjs/extensions/cellpack/preset.js +6 -6
  62. package/lib/commonjs/extensions/cellpack/property.js +3 -3
  63. package/lib/commonjs/extensions/cellpack/representation.js +2 -2
  64. package/lib/commonjs/extensions/cellpack/state.js +13 -13
  65. package/lib/commonjs/extensions/cellpack/util.js +14 -14
  66. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  67. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  68. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
  69. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
  70. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
  71. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
  72. package/lib/commonjs/extensions/g3d/data.js +6 -6
  73. package/lib/commonjs/extensions/g3d/format.js +14 -14
  74. package/lib/commonjs/extensions/g3d/model.js +4 -4
  75. package/lib/commonjs/extensions/geo-export/controls.js +3 -3
  76. package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
  77. package/lib/commonjs/extensions/geo-export/index.js +1 -1
  78. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
  79. package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
  80. package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
  81. package/lib/commonjs/extensions/geo-export/ui.js +7 -7
  82. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
  83. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
  84. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
  85. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
  86. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
  87. package/lib/commonjs/extensions/model-export/export.js +4 -4
  88. package/lib/commonjs/extensions/model-export/index.js +1 -1
  89. package/lib/commonjs/extensions/model-export/ui.js +5 -5
  90. package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
  91. package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
  92. package/lib/commonjs/extensions/mp4-export/index.js +1 -1
  93. package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
  94. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
  95. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
  96. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  97. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
  98. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
  99. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
  100. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
  101. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
  102. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
  103. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
  104. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
  105. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -5
  106. package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
  107. package/lib/commonjs/extensions/zenodo/index.js +35 -0
  108. package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
  109. package/lib/commonjs/extensions/zenodo/ui.js +306 -0
  110. package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
  111. package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
  112. package/lib/commonjs/mol-canvas3d/camera.js +2 -1
  113. package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
  114. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  115. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
  116. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
  117. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
  118. package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
  119. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
  120. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  121. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
  122. package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
  123. package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
  124. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
  125. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
  126. package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
  127. package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
  128. package/lib/commonjs/mol-canvas3d/util.js +2 -2
  129. package/lib/commonjs/mol-data/db/column.js +2 -2
  130. package/lib/commonjs/mol-data/db/table.js +1 -1
  131. package/lib/commonjs/mol-data/db.js +1 -1
  132. package/lib/commonjs/mol-data/generic.js +3 -3
  133. package/lib/commonjs/mol-data/index.js +4 -4
  134. package/lib/commonjs/mol-data/int/interval.js +1 -1
  135. package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
  136. package/lib/commonjs/mol-data/int/segmentation.js +1 -1
  137. package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
  138. package/lib/commonjs/mol-data/util.js +7 -7
  139. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  140. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
  141. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
  142. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
  143. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
  144. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  145. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
  146. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  147. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  148. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
  149. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  150. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
  151. package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
  152. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
  153. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  154. package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
  155. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
  156. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  157. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
  158. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
  159. package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
  160. package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
  161. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  162. package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
  163. package/lib/commonjs/mol-geo/primitive/star.js +1 -1
  164. package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
  165. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
  166. package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
  167. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
  168. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
  169. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
  170. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
  171. package/lib/commonjs/mol-gl/compute/util.js +3 -3
  172. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  173. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  174. package/lib/commonjs/mol-gl/renderable/image.js +3 -3
  175. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  176. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  177. package/lib/commonjs/mol-gl/renderable/points.js +3 -3
  178. package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
  179. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  180. package/lib/commonjs/mol-gl/renderable/text.js +3 -3
  181. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  182. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  183. package/lib/commonjs/mol-gl/shader-code.js +2 -1
  184. package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
  185. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  186. package/lib/commonjs/mol-gl/webgl/context.js +5 -5
  187. package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
  188. package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
  189. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
  190. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
  191. package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
  192. package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
  193. package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
  194. package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
  195. package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
  196. package/lib/commonjs/mol-io/common/typed-array.js +2 -2
  197. package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
  198. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
  199. package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
  200. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  201. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  202. package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
  203. package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
  204. package/lib/commonjs/mol-io/reader/cif.js +1 -1
  205. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
  206. package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
  207. package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
  208. package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
  209. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  210. package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
  211. package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
  212. package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
  213. package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
  214. package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
  215. package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
  216. package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
  217. package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
  218. package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
  219. package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
  220. package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
  221. package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
  222. package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
  223. package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
  224. package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
  225. package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
  226. package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
  227. package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
  228. package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
  229. package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
  230. package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
  231. package/lib/commonjs/mol-io/writer/cif.js +1 -1
  232. package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
  233. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  234. package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
  235. package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
  236. package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
  237. package/lib/commonjs/mol-math/geometry/common.js +1 -1
  238. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
  239. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +6 -6
  240. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
  241. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +8 -8
  242. package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
  243. package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
  244. package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
  245. package/lib/commonjs/mol-math/geometry/molecular-surface.js +10 -10
  246. package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
  247. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +13 -7
  248. package/lib/commonjs/mol-math/geometry.js +8 -8
  249. package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
  250. package/lib/commonjs/mol-math/graph.js +1 -1
  251. package/lib/commonjs/mol-math/linear-algebra.js +2 -2
  252. package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
  253. package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
  254. package/lib/commonjs/mol-model/sequence.js +1 -1
  255. package/lib/commonjs/mol-model/shape.js +1 -1
  256. package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
  257. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  258. package/lib/commonjs/mol-model/structure/model/model.js +3 -3
  259. package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
  260. package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
  261. package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
  262. package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
  263. package/lib/commonjs/mol-model/structure/model.js +3 -3
  264. package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
  265. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
  266. package/lib/commonjs/mol-model/structure/query.js +6 -6
  267. package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
  268. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  269. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
  270. package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
  271. package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
  272. package/lib/commonjs/mol-model/structure/structure/structure.js +9 -6
  273. package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
  274. package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
  275. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
  276. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +6 -4
  277. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  278. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
  279. package/lib/commonjs/mol-model/structure/structure/unit.js +5 -22
  280. package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
  281. package/lib/commonjs/mol-model/structure/structure.js +2 -2
  282. package/lib/commonjs/mol-model/structure/topology.js +1 -1
  283. package/lib/commonjs/mol-model/structure.js +6 -6
  284. package/lib/commonjs/mol-model/volume.js +2 -2
  285. package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
  286. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
  287. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
  288. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  289. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  290. package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
  291. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
  292. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
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  872. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +10 -1
  873. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +10 -1
  874. package/lib/mol-repr/structure/visual/element-point.d.ts +1 -1
  875. package/lib/mol-repr/structure/visual/element-point.js +22 -3
  876. package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
  877. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
  878. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
  879. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  880. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
  881. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
  882. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  883. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
  884. package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
  885. package/lib/mol-repr/structure/visual/util/common.js +1 -24
  886. package/lib/mol-repr/structure/visual/util/element.js +36 -2
  887. package/lib/mol-repr/structure/visual/util/link.d.ts +13 -3
  888. package/lib/mol-repr/structure/visual/util/link.js +55 -6
  889. package/lib/mol-script/language/builder.d.ts +1 -0
  890. package/lib/mol-script/language/parser.js +7 -4
  891. package/lib/mol-task/util/scheduler.d.ts +2 -2
  892. package/lib/mol-task/util/scheduler.js +7 -7
  893. package/lib/mol-theme/color/hydrophobicity.js +2 -2
  894. package/lib/mol-util/data-source.js +2 -1
  895. package/lib/mol-util/file-info.d.ts +1 -3
  896. package/lib/mol-util/file-info.js +2 -10
  897. package/lib/mol-util/index.d.ts +1 -0
  898. package/lib/mol-util/index.js +5 -0
  899. package/lib/mol-util/zip/deflate.js +2 -1
  900. package/lib/mol-util/zip/zip.d.ts +7 -1
  901. package/lib/mol-util/zip/zip.js +5 -1
  902. package/lib/servers/model/config.d.ts +2 -2
  903. package/package.json +160 -160
  904. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
  905. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -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');
@@ -7,8 +7,8 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.PDBe_structRefDomain = exports.PDBe_preferredAssembly = exports.PDBe_structureQualityReport = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var fs = (0, tslib_1.__importStar)(require("fs"));
11
- var path = (0, tslib_1.__importStar)(require("path"));
10
+ var fs = tslib_1.__importStar(require("fs"));
11
+ var path = tslib_1.__importStar(require("path"));
12
12
  var prop_1 = require("../../../../extensions/pdbe/structure-quality-report/prop");
13
13
  var fetch_retry_1 = require("../../utils/fetch-retry");
14
14
  var mol_util_1 = require("../../../../mol-util");
@@ -18,9 +18,9 @@ var console_logger_1 = require("../../../../mol-util/console-logger");
18
18
  var util_1 = require("../../../common/util");
19
19
  var PDBe_structureQualityReport = function (_a) {
20
20
  var model = _a.model, params = _a.params, cache = _a.cache;
21
- return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
21
+ return tslib_1.__awaiter(void 0, void 0, void 0, function () {
22
22
  var PDBe_apiSourceJson, data, _b, _c, _d;
23
- return (0, tslib_1.__generator)(this, function (_e) {
23
+ return tslib_1.__generator(this, function (_e) {
24
24
  switch (_e.label) {
25
25
  case 0:
26
26
  PDBe_apiSourceJson = useFileSource(params)
@@ -56,9 +56,9 @@ var residuewise_outlier_summary;
56
56
  var _this = this;
57
57
  // This is for "testing" purposes and should probably only read
58
58
  // a single file with the appropriate prop in the "production" version.
59
- return function (model) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
59
+ return function (model) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
60
60
  var key, fn;
61
- return (0, tslib_1.__generator)(this, function (_a) {
61
+ return tslib_1.__generator(this, function (_a) {
62
62
  key = "".concat(model.entryId[1]).concat(model.entryId[2]);
63
63
  if (!json.has(key)) {
64
64
  fn = path.join(pathPrefix, "".concat(key, ".json"));
@@ -94,9 +94,9 @@ function useFileSource(params) {
94
94
  function apiQueryProvider(urlPrefix, cache) {
95
95
  var _this = this;
96
96
  var cacheKey = mol_util_1.UUID.create22();
97
- return function (model) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
97
+ return function (model) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
98
98
  var rawData, json, e_1;
99
- return (0, tslib_1.__generator)(this, function (_a) {
99
+ return tslib_1.__generator(this, function (_a) {
100
100
  switch (_a.label) {
101
101
  case 0:
102
102
  _a.trys.push([0, 3, , 4]);
@@ -7,8 +7,8 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.wwPDB_chemCompAtom = exports.wwPDB_chemCompBond = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var fs = (0, tslib_1.__importStar)(require("fs"));
11
- var util = (0, tslib_1.__importStar)(require("util"));
10
+ var fs = tslib_1.__importStar(require("fs"));
11
+ var util = tslib_1.__importStar(require("util"));
12
12
  var cif_1 = require("../../../../mol-io/reader/cif");
13
13
  var util_1 = require("../../../common/util");
14
14
  var mmcif_1 = require("../../../../mol-io/reader/cif/schema/mmcif");
@@ -19,9 +19,9 @@ require('util.promisify').shim();
19
19
  var readFile = util.promisify(fs.readFile);
20
20
  var wwPDB_chemCompBond = function (_a) {
21
21
  var model = _a.model, params = _a.params;
22
- return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
22
+ return tslib_1.__awaiter(void 0, void 0, void 0, function () {
23
23
  var table, data, entries;
24
- return (0, tslib_1.__generator)(this, function (_b) {
24
+ return tslib_1.__generator(this, function (_b) {
25
25
  switch (_b.label) {
26
26
  case 0: return [4 /*yield*/, getChemCompBondTable(getBondTablePath(params))];
27
27
  case 1:
@@ -35,9 +35,9 @@ var wwPDB_chemCompBond = function (_a) {
35
35
  };
36
36
  exports.wwPDB_chemCompBond = wwPDB_chemCompBond;
37
37
  function read(path) {
38
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
38
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
39
39
  var _a, _b;
40
- return (0, tslib_1.__generator)(this, function (_c) {
40
+ return tslib_1.__generator(this, function (_c) {
41
41
  switch (_c.label) {
42
42
  case 0:
43
43
  if (!path.endsWith('.bcif')) return [3 /*break*/, 2];
@@ -56,9 +56,9 @@ function read(path) {
56
56
  }
57
57
  var chemCompBondTable;
58
58
  function getChemCompBondTable(path) {
59
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
59
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
60
60
  var parsed, _a, _b, table;
61
- return (0, tslib_1.__generator)(this, function (_c) {
61
+ return tslib_1.__generator(this, function (_c) {
62
62
  switch (_c.label) {
63
63
  case 0:
64
64
  if (!!chemCompBondTable) return [3 /*break*/, 3];
@@ -85,9 +85,9 @@ function getBondTablePath(params) {
85
85
  }
86
86
  var wwPDB_chemCompAtom = function (_a) {
87
87
  var model = _a.model, params = _a.params;
88
- return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
88
+ return tslib_1.__awaiter(void 0, void 0, void 0, function () {
89
89
  var table, data, entries;
90
- return (0, tslib_1.__generator)(this, function (_b) {
90
+ return tslib_1.__generator(this, function (_b) {
91
91
  switch (_b.label) {
92
92
  case 0: return [4 /*yield*/, getChemCompAtomTable(getAtomTablePath(params))];
93
93
  case 1:
@@ -102,9 +102,9 @@ var wwPDB_chemCompAtom = function (_a) {
102
102
  exports.wwPDB_chemCompAtom = wwPDB_chemCompAtom;
103
103
  var chemCompAtomTable;
104
104
  function getChemCompAtomTable(path) {
105
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
105
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
106
106
  var parsed, _a, _b, table;
107
- return (0, tslib_1.__generator)(this, function (_c) {
107
+ return tslib_1.__generator(this, function (_c) {
108
108
  switch (_c.label) {
109
109
  case 0:
110
110
  if (!!chemCompAtomTable) return [3 /*break*/, 3];
@@ -7,12 +7,12 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.createModelPropertiesProvider = exports.createModelPropertiesProviderFromConfig = 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
  var config_1 = require("./config");
12
12
  var console_logger_1 = require("../../mol-util/console-logger");
13
13
  // TODO enable dynamic imports again
14
- var pdbeProps = (0, tslib_1.__importStar)(require("./properties/pdbe"));
15
- var wwpdbProps = (0, tslib_1.__importStar)(require("./properties/wwpdb"));
14
+ var pdbeProps = tslib_1.__importStar(require("./properties/pdbe"));
15
+ var wwpdbProps = tslib_1.__importStar(require("./properties/wwpdb"));
16
16
  var attachModelProperties = {
17
17
  pdbe: pdbeProps.attachModelProperties,
18
18
  wwpdb: wwpdbProps.attachModelProperties
@@ -7,7 +7,7 @@
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
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
  var version_1 = require("./version");
12
12
  var api_local_1 = require("./server/api-local");
13
13
  console.log("Mol* ModelServer (".concat(version_1.VERSION, "), (c) 2018-2020 Mol* authors"));
@@ -16,9 +16,9 @@ var jobs_1 = require("./jobs");
16
16
  var query_1 = require("./query");
17
17
  var structure_wrapper_1 = require("./structure-wrapper");
18
18
  function runLocal(input) {
19
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
19
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
20
20
  var _i, input_1, job_1, binary, started, job, key, progress, e_1;
21
- return (0, tslib_1.__generator)(this, function (_a) {
21
+ return tslib_1.__generator(this, function (_a) {
22
22
  switch (_a.label) {
23
23
  case 0:
24
24
  if (!input.length) {
@@ -121,7 +121,7 @@ function getQueryInfo(def) {
121
121
  tags: ['General'],
122
122
  summary: def.description,
123
123
  operationId: def.name,
124
- parameters: (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([
124
+ parameters: tslib_1.__spreadArray(tslib_1.__spreadArray([
125
125
  { $ref: '#/components/parameters/id' }
126
126
  ], def.restParams.map(getParamInfo), true), api_1.CommonQueryParamsInfo.map(getParamInfo), true),
127
127
  responses: {
@@ -138,7 +138,7 @@ function getQueryInfo(def) {
138
138
  tags: ['General'],
139
139
  summary: def.description,
140
140
  operationId: def.name + '-post',
141
- parameters: (0, tslib_1.__spreadArray)([
141
+ parameters: tslib_1.__spreadArray([
142
142
  { $ref: '#/components/parameters/id' }
143
143
  ], api_1.CommonQueryParamsInfo.map(getParamInfo), true),
144
144
  requestBody: {
@@ -7,9 +7,9 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.initWebApi = exports.createResultWriter = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var fs = (0, tslib_1.__importStar)(require("fs"));
11
- var path = (0, tslib_1.__importStar)(require("path"));
12
- var bodyParser = (0, tslib_1.__importStar)(require("body-parser"));
10
+ var fs = tslib_1.__importStar(require("fs"));
11
+ var path = tslib_1.__importStar(require("path"));
12
+ var bodyParser = tslib_1.__importStar(require("body-parser"));
13
13
  var config_1 = require("../config");
14
14
  var console_logger_1 = require("../../../mol-util/console-logger");
15
15
  var query_1 = require("./query");
@@ -25,9 +25,9 @@ function makePath(p) {
25
25
  }
26
26
  var responseMap = new Map();
27
27
  function processNextJob() {
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 job, writer, e_1;
30
- return (0, tslib_1.__generator)(this, function (_a) {
30
+ return tslib_1.__generator(this, function (_a) {
31
31
  switch (_a.label) {
32
32
  case 0:
33
33
  if (!jobs_1.JobManager.hasNext())
@@ -90,7 +90,7 @@ var QueryMap = {
90
90
  description: 'Coordinates of the first group satisfying the given criteria.',
91
91
  query: function (p, _s, numModels) {
92
92
  var tests = (0, atoms_1.getAtomsTests)(p.atom_site);
93
- var ligands = structure_1.Queries.combinators.merge(tests.map(function (test) { return structure_1.Queries.generators.atoms((0, tslib_1.__assign)((0, tslib_1.__assign)({}, test), { unitTest: function (ctx) { return structure_1.StructureProperties.unit.model_num(ctx.element) === numModels[0]; }, groupBy: function (ctx) { return structure_1.StructureProperties.residue.key(ctx.element); } })); }));
93
+ var ligands = structure_1.Queries.combinators.merge(tests.map(function (test) { return structure_1.Queries.generators.atoms(tslib_1.__assign(tslib_1.__assign({}, test), { unitTest: function (ctx) { return structure_1.StructureProperties.unit.model_num(ctx.element) === numModels[0]; }, groupBy: function (ctx) { return structure_1.StructureProperties.residue.key(ctx.element); } })); }));
94
94
  return structure_1.Queries.filters.first(ligands);
95
95
  },
96
96
  jsonParams: [AtomSiteTestJsonParam],
@@ -136,7 +136,7 @@ var QueryMap = {
136
136
  description: 'Identifies all residues within the given radius from the source residue. Takes crystal symmetry into account.',
137
137
  query: function (p) {
138
138
  var tests = (0, atoms_1.getAtomsTests)(p.atom_site);
139
- var center = structure_1.Queries.combinators.merge(tests.map(function (test) { return structure_1.Queries.generators.atoms((0, tslib_1.__assign)((0, tslib_1.__assign)({}, test), { entityTest: test.entityTest
139
+ var center = structure_1.Queries.combinators.merge(tests.map(function (test) { return structure_1.Queries.generators.atoms(tslib_1.__assign(tslib_1.__assign({}, test), { entityTest: test.entityTest
140
140
  ? function (ctx) { return test.entityTest(ctx) && ctx.element.unit.conformation.operator.isIdentity; }
141
141
  : function (ctx) { return ctx.element.unit.conformation.operator.isIdentity; } })); }));
142
142
  return structure_1.Queries.modifiers.includeSurroundings(center, { radius: p.radius !== void 0 ? p.radius : 5, wholeResidues: true });
@@ -147,7 +147,7 @@ var QueryMap = {
147
147
  return structure_1.StructureSymmetry.builderSymmetryMates(s, p.radius !== void 0 ? p.radius : 5).run();
148
148
  },
149
149
  jsonParams: [AtomSiteTestJsonParam, RadiusParam, AssemblyNameParam],
150
- restParams: (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], exports.AtomSiteTestRestParams, true), [RadiusParam, AssemblyNameParam], false),
150
+ restParams: tslib_1.__spreadArray(tslib_1.__spreadArray([], exports.AtomSiteTestRestParams, true), [RadiusParam, AssemblyNameParam], false),
151
151
  filter: schemas_1.QuerySchemas.interaction
152
152
  }),
153
153
  'residueSurroundings': Q({
@@ -158,7 +158,7 @@ var QueryMap = {
158
158
  return structure_1.Queries.modifiers.includeSurroundings(center, { radius: p.radius, wholeResidues: true });
159
159
  },
160
160
  jsonParams: [AtomSiteTestJsonParam, RadiusParam],
161
- restParams: (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], exports.AtomSiteTestRestParams, true), [RadiusParam], false),
161
+ restParams: tslib_1.__spreadArray(tslib_1.__spreadArray([], exports.AtomSiteTestRestParams, true), [RadiusParam], false),
162
162
  filter: schemas_1.QuerySchemas.interaction
163
163
  }),
164
164
  'surroundingLigands': Q({
@@ -166,7 +166,7 @@ var QueryMap = {
166
166
  description: 'Identifies (complete) ligands within the given radius from the source atom set. Takes crystal symmetry into account.',
167
167
  query: function (p) {
168
168
  var tests = (0, atoms_1.getAtomsTests)(p.atom_site);
169
- var center = structure_1.Queries.combinators.merge(tests.map(function (test) { return structure_1.Queries.generators.atoms((0, tslib_1.__assign)((0, tslib_1.__assign)({}, test), { entityTest: test.entityTest
169
+ var center = structure_1.Queries.combinators.merge(tests.map(function (test) { return structure_1.Queries.generators.atoms(tslib_1.__assign(tslib_1.__assign({}, test), { entityTest: test.entityTest
170
170
  ? function (ctx) { return test.entityTest(ctx) && ctx.element.unit.conformation.operator.isIdentity; }
171
171
  : function (ctx) { return ctx.element.unit.conformation.operator.isIdentity; } })); }));
172
172
  return structure_1.Queries.modifiers.surroundingLigands({ query: center, radius: p.radius !== void 0 ? p.radius : 5, includeWater: !p.omit_water });
@@ -177,7 +177,7 @@ var QueryMap = {
177
177
  return structure_1.StructureSymmetry.builderSymmetryMates(s, p.radius !== void 0 ? p.radius : 5).run();
178
178
  },
179
179
  jsonParams: [AtomSiteTestJsonParam, RadiusParam, OmitWaterParam, AssemblyNameParam],
180
- restParams: (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], exports.AtomSiteTestRestParams, true), [RadiusParam, OmitWaterParam, AssemblyNameParam], false),
180
+ restParams: tslib_1.__spreadArray(tslib_1.__spreadArray([], exports.AtomSiteTestRestParams, true), [RadiusParam, OmitWaterParam, AssemblyNameParam], false),
181
181
  filter: schemas_1.QuerySchemas.interaction
182
182
  }),
183
183
  };
@@ -7,7 +7,7 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.abortingObserver = exports.resolveJob = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var path = (0, tslib_1.__importStar)(require("path"));
10
+ var path = tslib_1.__importStar(require("path"));
11
11
  var cif_1 = require("../../../mol-io/writer/cif");
12
12
  var structure_1 = require("../../../mol-model/structure");
13
13
  var mmcif_1 = require("../../../mol-model/structure/export/mmcif");
@@ -38,8 +38,8 @@ function propertyProvider() {
38
38
  return _propertyProvider;
39
39
  }
40
40
  function resolveJob(job) {
41
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
42
- return (0, tslib_1.__generator)(this, function (_a) {
41
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
42
+ return tslib_1.__generator(this, function (_a) {
43
43
  if (job.responseFormat.tarball) {
44
44
  return [2 /*return*/, resolveMultiFile(job)];
45
45
  }
@@ -54,22 +54,22 @@ exports.resolveJob = resolveJob;
54
54
  var SharedParams = {
55
55
  encoderName: "ModelServer ".concat(version_1.VERSION)
56
56
  };
57
- var SharedLigandWritingParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, SharedParams), { hydrogens: true });
57
+ var SharedLigandWritingParams = tslib_1.__assign(tslib_1.__assign({}, SharedParams), { hydrogens: true });
58
58
  function createEncoder(job) {
59
59
  switch (job.responseFormat.encoding) {
60
60
  case 'bcif':
61
- return cif_1.CifWriter.createEncoder((0, tslib_1.__assign)((0, tslib_1.__assign)({}, SharedParams), { binary: true, binaryAutoClassifyEncoding: true }));
61
+ return cif_1.CifWriter.createEncoder(tslib_1.__assign(tslib_1.__assign({}, SharedParams), { binary: true, binaryAutoClassifyEncoding: true }));
62
62
  case 'sdf':
63
63
  ensureCompatibleQueryType(job);
64
- return sdf_1.SdfWriter.createEncoder((0, tslib_1.__assign)({}, SharedLigandWritingParams));
64
+ return sdf_1.SdfWriter.createEncoder(tslib_1.__assign({}, SharedLigandWritingParams));
65
65
  case 'mol':
66
66
  ensureCompatibleQueryType(job);
67
- return mol_1.MolWriter.createEncoder((0, tslib_1.__assign)({}, SharedLigandWritingParams));
67
+ return mol_1.MolWriter.createEncoder(tslib_1.__assign({}, SharedLigandWritingParams));
68
68
  case 'mol2':
69
69
  ensureCompatibleQueryType(job);
70
- return mol2_1.Mol2Writer.createEncoder((0, tslib_1.__assign)({}, SharedLigandWritingParams));
70
+ return mol2_1.Mol2Writer.createEncoder(tslib_1.__assign({}, SharedLigandWritingParams));
71
71
  default:
72
- return cif_1.CifWriter.createEncoder((0, tslib_1.__assign)((0, tslib_1.__assign)({}, SharedParams), { binary: false, binaryAutoClassifyEncoding: true }));
72
+ return cif_1.CifWriter.createEncoder(tslib_1.__assign(tslib_1.__assign({}, SharedParams), { binary: false, binaryAutoClassifyEncoding: true }));
73
73
  }
74
74
  }
75
75
  function ensureCompatibleQueryType(job) {
@@ -80,9 +80,9 @@ function ensureCompatibleQueryType(job) {
80
80
  });
81
81
  }
82
82
  function resolveSingleFile(job) {
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 encoder, headerMap, _i, _a, entry, hasDataBlock, structure, header, i, e_1;
85
- return (0, tslib_1.__generator)(this, function (_b) {
85
+ return tslib_1.__generator(this, function (_b) {
86
86
  switch (_b.label) {
87
87
  case 0:
88
88
  console_logger_1.ConsoleLogger.logId(job.id, 'Query', "Starting (format: ".concat(job.responseFormat.encoding, ")."));
@@ -144,9 +144,9 @@ function getFilename(i, entry, header, encoding) {
144
144
  return "".concat(i, "_").concat(header.toLowerCase(), "_").concat((0, string_1.splitCamelCase)(entry.queryDefinition.name.replace(/\s/g, '_'), '-').toLowerCase(), ".").concat(encoding);
145
145
  }
146
146
  function resolveMultiFile(job) {
147
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
147
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
148
148
  var i, _i, _a, entry, encoder, hasDataBlock, header, structure, e_2;
149
- return (0, tslib_1.__generator)(this, function (_b) {
149
+ return tslib_1.__generator(this, function (_b) {
150
150
  switch (_b.label) {
151
151
  case 0:
152
152
  console_logger_1.ConsoleLogger.logId(job.id, 'Query', 'Starting.');
@@ -206,9 +206,9 @@ function createErrorDataBlock(job, encoder) {
206
206
  return header;
207
207
  }
208
208
  function resolveJobEntry(entry, structure, encoder) {
209
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
209
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
210
210
  var sourceStructures, structures, _i, sourceStructures_1, s, _a, _b, modelNums_1, queries, result, i, s, stats, e_3;
211
- return (0, tslib_1.__generator)(this, function (_c) {
211
+ return tslib_1.__generator(this, function (_c) {
212
212
  switch (_c.label) {
213
213
  case 0:
214
214
  console_logger_1.ConsoleLogger.logId(entry.job.id, 'Query', "Start ".concat(entry.key, "/").concat(entry.queryDefinition.name, "."));
@@ -12,9 +12,9 @@ var performance_monitor_1 = require("../../../mol-util/performance-monitor");
12
12
  var cache_1 = require("./cache");
13
13
  var config_1 = require("../config");
14
14
  var cif_1 = require("../../../mol-io/reader/cif");
15
- var util = (0, tslib_1.__importStar)(require("util"));
16
- var fs = (0, tslib_1.__importStar)(require("fs"));
17
- var zlib = (0, tslib_1.__importStar)(require("zlib"));
15
+ var util = tslib_1.__importStar(require("util"));
16
+ var fs = tslib_1.__importStar(require("fs"));
17
+ var zlib = tslib_1.__importStar(require("zlib"));
18
18
  var console_logger_1 = require("../../../mol-util/console-logger");
19
19
  var mmcif_1 = require("../../../mol-model-formats/structure/mmcif");
20
20
  var fetch_retry_1 = require("../utils/fetch-retry");
@@ -27,9 +27,9 @@ var StructureSourceType;
27
27
  })(StructureSourceType = exports.StructureSourceType || (exports.StructureSourceType = {}));
28
28
  function createStructureWrapperFromJobEntry(entry, propertyProvider, allowCache) {
29
29
  if (allowCache === void 0) { allowCache = true; }
30
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
30
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
31
31
  var ret_1, ret;
32
- return (0, tslib_1.__generator)(this, function (_a) {
32
+ return tslib_1.__generator(this, function (_a) {
33
33
  switch (_a.label) {
34
34
  case 0:
35
35
  if (allowCache && config_1.ModelServerConfig.cacheMaxSizeInBytes > 0) {
@@ -54,10 +54,10 @@ var perf = new performance_monitor_1.PerformanceMonitor();
54
54
  var readFileAsync = util.promisify(fs.readFile);
55
55
  var unzipAsync = util.promisify(zlib.unzip);
56
56
  function readFile(filename) {
57
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
57
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
58
58
  var isGz, input, data, i, data, _a;
59
59
  var _b;
60
- return (0, tslib_1.__generator)(this, function (_c) {
60
+ return tslib_1.__generator(this, function (_c) {
61
61
  switch (_c.label) {
62
62
  case 0:
63
63
  isGz = /\.gz$/i.test(filename);
@@ -92,9 +92,9 @@ function readFile(filename) {
92
92
  });
93
93
  }
94
94
  function parseCif(data) {
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 comp, parsed;
97
- return (0, tslib_1.__generator)(this, function (_a) {
97
+ return tslib_1.__generator(this, function (_a) {
98
98
  switch (_a.label) {
99
99
  case 0:
100
100
  comp = cif_1.CIF.parse(data);
@@ -109,9 +109,9 @@ function parseCif(data) {
109
109
  });
110
110
  }
111
111
  function readDataAndFrame(filename, key) {
112
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
112
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
113
113
  var data, isBinary, read, e_1, frame;
114
- return (0, tslib_1.__generator)(this, function (_a) {
114
+ return tslib_1.__generator(this, function (_a) {
115
115
  switch (_a.label) {
116
116
  case 0:
117
117
  perf.start('read');
@@ -142,9 +142,9 @@ function readDataAndFrame(filename, key) {
142
142
  }
143
143
  exports.readDataAndFrame = readDataAndFrame;
144
144
  function fetchDataAndFrame(jobId, uri, format, key) {
145
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
145
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
146
146
  var isBinary, data, response, input, _a, i, _b, _c, e_2, frame;
147
- return (0, tslib_1.__generator)(this, function (_d) {
147
+ return tslib_1.__generator(this, function (_d) {
148
148
  switch (_d.label) {
149
149
  case 0:
150
150
  perf.start('read');
@@ -215,9 +215,9 @@ function readOrFetch(jobId, key, sourceId, entryId) {
215
215
  return readDataAndFrame(mapped[0], key);
216
216
  }
217
217
  function readStructureWrapper(key, sourceId, entryId, jobId, propertyProvider) {
218
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
218
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
219
219
  var _a, data, frame, isBinary, trajectory, models, modelMap, i, m, ret;
220
- return (0, tslib_1.__generator)(this, function (_b) {
220
+ return tslib_1.__generator(this, function (_b) {
221
221
  switch (_b.label) {
222
222
  case 0: return [4 /*yield*/, readOrFetch(jobId || '', key, sourceId, entryId)];
223
223
  case 1:
@@ -270,9 +270,9 @@ function readStructureWrapper(key, sourceId, entryId, jobId, propertyProvider) {
270
270
  }
271
271
  exports.readStructureWrapper = readStructureWrapper;
272
272
  function resolveStructure(wrapper, modelNum) {
273
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
273
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
274
274
  var model, structure, modelProps, _i, modelProps_1, p;
275
- return (0, tslib_1.__generator)(this, function (_a) {
275
+ return tslib_1.__generator(this, function (_a) {
276
276
  switch (_a.label) {
277
277
  case 0:
278
278
  if (typeof modelNum === 'undefined')
@@ -305,9 +305,9 @@ function resolveStructure(wrapper, modelNum) {
305
305
  }
306
306
  exports.resolveStructure = resolveStructure;
307
307
  function resolveStructures(wrapper, modelNums) {
308
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
308
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
309
309
  var ret, _i, _a, n, s;
310
- return (0, tslib_1.__generator)(this, function (_b) {
310
+ return tslib_1.__generator(this, function (_b) {
311
311
  switch (_b.label) {
312
312
  case 0:
313
313
  ret = [];
@@ -332,9 +332,9 @@ function resolveStructures(wrapper, modelNums) {
332
332
  }
333
333
  exports.resolveStructures = resolveStructures;
334
334
  function tryAttach(key, promise) {
335
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
335
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
336
336
  var e_3;
337
- return (0, tslib_1.__generator)(this, function (_a) {
337
+ return tslib_1.__generator(this, function (_a) {
338
338
  switch (_a.label) {
339
339
  case 0:
340
340
  _a.trys.push([0, 2, , 3]);
@@ -7,8 +7,8 @@
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
9
  var tslib_1 = require("tslib");
10
- var compression_1 = (0, tslib_1.__importDefault)(require("compression"));
11
- var express_1 = (0, tslib_1.__importDefault)(require("express"));
10
+ var compression_1 = tslib_1.__importDefault(require("compression"));
11
+ var express_1 = tslib_1.__importDefault(require("express"));
12
12
  var console_logger_1 = require("../../mol-util/console-logger");
13
13
  var performance_monitor_1 = require("../../mol-util/performance-monitor");
14
14
  var config_1 = require("./config");
@@ -6,10 +6,10 @@
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  var tslib_1 = require("tslib");
9
- var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
10
- var fs = (0, tslib_1.__importStar)(require("fs"));
11
- var path = (0, tslib_1.__importStar)(require("path"));
12
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
9
+ var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
10
+ var fs = tslib_1.__importStar(require("fs"));
11
+ var path = tslib_1.__importStar(require("path"));
12
+ var argparse = tslib_1.__importStar(require("argparse"));
13
13
  var make_dir_1 = require("../../../mol-util/make-dir");
14
14
  var now_1 = require("../../../mol-util/now");
15
15
  var performance_monitor_1 = require("../../../mol-util/performance-monitor");
@@ -52,9 +52,9 @@ function findEntries() {
52
52
  return ret;
53
53
  }
54
54
  function process() {
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 entries, started, prog, _i, entries_1, e, ts, data, _a, _b, ee, query, _c, _d, e_1, time;
57
- return (0, tslib_1.__generator)(this, function (_e) {
57
+ return tslib_1.__generator(this, function (_e) {
58
58
  switch (_e.label) {
59
59
  case 0:
60
60
  entries = findEntries();