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
@@ -8,11 +8,11 @@ var jsx_runtime_1 = require("react/jsx-runtime");
8
8
  *
9
9
  * @author David Sehnal <david.sehnal@gmail.com>
10
10
  */
11
- var ReactDOM = (0, tslib_1.__importStar)(require("react-dom"));
11
+ var ReactDOM = tslib_1.__importStar(require("react-dom"));
12
12
  var plugin_1 = require("../../../mol-plugin-ui/plugin");
13
13
  var update_transform_1 = require("../../../mol-plugin-ui/state/update-transform");
14
14
  var helpers_1 = require("../helpers");
15
15
  function volumeStreamingControls(plugin, parent) {
16
- ReactDOM.render((0, jsx_runtime_1.jsx)(plugin_1.PluginContextContainer, (0, tslib_1.__assign)({ plugin: plugin }, { children: (0, jsx_runtime_1.jsx)(update_transform_1.TransformUpdaterControl, { nodeRef: helpers_1.StateElements.VolumeStreaming }, void 0) }), void 0), parent);
16
+ ReactDOM.render((0, jsx_runtime_1.jsx)(plugin_1.PluginContextContainer, tslib_1.__assign({ plugin: plugin }, { children: (0, jsx_runtime_1.jsx)(update_transform_1.TransformUpdaterControl, { nodeRef: helpers_1.StateElements.VolumeStreaming }) })), parent);
17
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  }
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18
  exports.volumeStreamingControls = volumeStreamingControls;
@@ -10,13 +10,13 @@ var tslib_1 = require("tslib");
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10
  var mol_task_1 = require("../mol-task");
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11
  var now_1 = require("../mol-util/now");
12
12
  function test1() {
13
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
13
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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  var t, r;
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15
  var _this = this;
16
- return (0, tslib_1.__generator)(this, function (_a) {
16
+ return tslib_1.__generator(this, function (_a) {
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  switch (_a.label) {
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18
  case 0:
19
- t = mol_task_1.Task.create('test', function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
19
+ t = mol_task_1.Task.create('test', function () { return tslib_1.__awaiter(_this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
20
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  return [2 /*return*/, 1];
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  }); }); });
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  return [4 /*yield*/, t.run()];
@@ -45,8 +45,8 @@ function messageTree(root, prefix) {
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45
  }
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46
  function createTask(delayMs, r) {
47
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  var _this = this;
48
- return mol_task_1.Task.create('delayed value ' + r, function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
49
- return (0, tslib_1.__generator)(this, function (_a) {
48
+ return mol_task_1.Task.create('delayed value ' + r, function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
49
+ return tslib_1.__generator(this, function (_a) {
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50
  switch (_a.label) {
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  case 0:
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52
  ctx.update("Processing delayed ".concat(r, " after ").concat(delayMs, "ms"), true);
@@ -65,8 +65,8 @@ function createTask(delayMs, r) {
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65
  }
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66
  function abortAfter(delay) {
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67
  var _this = this;
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- return mol_task_1.Task.create('abort after ' + delay, function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
69
- return (0, tslib_1.__generator)(this, function (_a) {
68
+ return mol_task_1.Task.create('abort after ' + delay, function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
69
+ return tslib_1.__generator(this, function (_a) {
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70
  switch (_a.label) {
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71
  case 0: return [4 /*yield*/, mol_task_1.Scheduler.delay(delay)];
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  case 1:
@@ -79,9 +79,9 @@ function abortAfter(delay) {
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  exports.abortAfter = abortAfter;
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80
  function testTree() {
81
81
  var _this = this;
82
- return mol_task_1.Task.create('test o', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
82
+ return mol_task_1.Task.create('test o', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
83
83
  var c1, c2, c3, r, _a, _b;
84
- return (0, tslib_1.__generator)(this, function (_c) {
84
+ return tslib_1.__generator(this, function (_c) {
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85
  switch (_c.label) {
86
86
  case 0: return [4 /*yield*/, mol_task_1.Scheduler.delay(250)];
87
87
  case 1:
@@ -143,16 +143,16 @@ function processChunk(n, state) {
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143
  state.current = toProcess;
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144
  return toProcess - start;
145
145
  }
146
- exports.ms = (0, mol_task_1.MultistepTask)('ms-task', ['step 1', 'step 2', 'step 3'], function (p, step, ctx) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
146
+ exports.ms = (0, mol_task_1.MultistepTask)('ms-task', ['step 1', 'step 2', 'step 3'], function (p, step, ctx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
147
147
  var child;
148
- return (0, tslib_1.__generator)(this, function (_a) {
148
+ return tslib_1.__generator(this, function (_a) {
149
149
  switch (_a.label) {
150
150
  case 0: return [4 /*yield*/, step(0)];
151
151
  case 1:
152
152
  _a.sent();
153
- child = mol_task_1.Task.create('chunked', function (ctx) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
153
+ child = mol_task_1.Task.create('chunked', function (ctx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
154
154
  var s;
155
- return (0, tslib_1.__generator)(this, function (_a) {
155
+ return tslib_1.__generator(this, function (_a) {
156
156
  switch (_a.label) {
157
157
  case 0: return [4 /*yield*/, (0, mol_task_1.chunkedSubtask)(ctx, 25, { i: 0, current: 0, total: 125 }, processChunk, function (ctx, s, p) { return ctx.update('chunk test ' + p); })];
158
158
  case 1:
@@ -196,9 +196,9 @@ exports.abortingObserver = abortingObserver;
196
196
  function logP(p) { console.log(messageTree(p.root)); }
197
197
  exports.logP = logP;
198
198
  function test() {
199
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
199
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
200
200
  var m, e_1;
201
- return (0, tslib_1.__generator)(this, function (_a) {
201
+ return tslib_1.__generator(this, function (_a) {
202
202
  switch (_a.label) {
203
203
  case 0:
204
204
  _a.trys.push([0, 2, , 3]);
@@ -13,9 +13,9 @@ var linear_algebra_1 = require("../../mol-math/linear-algebra");
13
13
  var array_1 = require("../../mol-util/array");
14
14
  var spherical_functions_1 = require("./spherical-functions");
15
15
  function sphericalCollocation(grid, orbital, taskCtx) {
16
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
16
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
17
17
  var _a, basis, sphericalOrder, cutoffThreshold, baseCount, _i, _b, atom, _c, _d, shell, _e, _f, L, matrix, baseIndex, _g, _h, atom, _j, _k, shell, amIndex, _l, _m, L, alpha;
18
- return (0, tslib_1.__generator)(this, function (_o) {
18
+ return tslib_1.__generator(this, function (_o) {
19
19
  switch (_o.label) {
20
20
  case 0:
21
21
  _a = grid.params, basis = _a.basis, sphericalOrder = _a.sphericalOrder, cutoffThreshold = _a.cutoffThreshold;
@@ -25,7 +25,7 @@ function initCubeGrid(params) {
25
25
  var count = geometry.length;
26
26
  var box = geometry_1.Box3D.expand((0, geometry_1.Box3D)(), geometry_1.Box3D.fromVec3Array((0, geometry_1.Box3D)(), geometry), linear_algebra_1.Vec3.create(expand, expand, expand));
27
27
  var size = geometry_1.Box3D.size((0, linear_algebra_1.Vec3)(), box);
28
- var spacingThresholds = typeof spacing === 'number' ? [[0, spacing]] : (0, tslib_1.__spreadArray)([], spacing, true);
28
+ var spacingThresholds = typeof spacing === 'number' ? [[0, spacing]] : tslib_1.__spreadArray([], spacing, true);
29
29
  spacingThresholds.sort(function (a, b) { return b[0] - a[0]; });
30
30
  var s = 0.4;
31
31
  for (var i = 0; i <= spacingThresholds.length; i++) {
@@ -14,9 +14,9 @@ var data_model_1 = require("./data-model");
14
14
  var compute_1 = require("./gpu/compute");
15
15
  function createSphericalCollocationDensityGrid(params, orbitals, webgl) {
16
16
  var _this = this;
17
- return mol_task_1.Task.create('Spherical Collocation Grid', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
17
+ return mol_task_1.Task.create('Spherical Collocation Grid', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
18
18
  var cubeGrid, matrix, grid, isovalues;
19
- return (0, tslib_1.__generator)(this, function (_a) {
19
+ return tslib_1.__generator(this, function (_a) {
20
20
  switch (_a.label) {
21
21
  case 0:
22
22
  cubeGrid = (0, data_model_1.initCubeGrid)(params);
@@ -34,13 +34,13 @@ var Orbitals = (0, grid3d_1.createGrid3dComputeRenderable)({
34
34
  }
35
35
  });
36
36
  var Density = (0, grid3d_1.createGrid3dComputeRenderable)({
37
- schema: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, Schema), { uOccupancy: (0, schema_1.UniformSpec)('f') }),
37
+ schema: tslib_1.__assign(tslib_1.__assign({}, Schema), { uOccupancy: (0, schema_1.UniformSpec)('f') }),
38
38
  loopBounds: ['uNCenters', 'uMaxCoeffs'],
39
39
  mainCode: shader_frag_1.MAIN,
40
40
  utilCode: shader_frag_1.UTILS,
41
41
  returnCode: 'current + uOccupancy * v * v',
42
42
  values: function (params) {
43
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, createTextureData(params.grid, params.orbitals[0])), { uOccupancy: 0 });
43
+ return tslib_1.__assign(tslib_1.__assign({}, createTextureData(params.grid, params.orbitals[0])), { uOccupancy: 0 });
44
44
  },
45
45
  cumulative: {
46
46
  states: function (params) {
@@ -18,9 +18,9 @@ var compute_1 = require("./gpu/compute");
18
18
  // setDebugMode(true);
19
19
  function createSphericalCollocationGrid(params, orbital, webgl) {
20
20
  var _this = this;
21
- return mol_task_1.Task.create('Spherical Collocation Grid', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
21
+ return mol_task_1.Task.create('Spherical Collocation Grid', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
22
22
  var cubeGrid, matrix, grid, isovalues;
23
- return (0, tslib_1.__generator)(this, function (_a) {
23
+ return tslib_1.__generator(this, function (_a) {
24
24
  switch (_a.label) {
25
25
  case 0:
26
26
  cubeGrid = (0, data_model_1.initCubeGrid)(params);
@@ -20,7 +20,7 @@ var representation_1 = require("../../mol-plugin-state/transforms/representation
20
20
  var data_model_1 = require("./data-model");
21
21
  var density_1 = require("./density");
22
22
  var BasisAndOrbitals = /** @class */ (function (_super) {
23
- (0, tslib_1.__extends)(BasisAndOrbitals, _super);
23
+ tslib_1.__extends(BasisAndOrbitals, _super);
24
24
  function BasisAndOrbitals() {
25
25
  return _super !== null && _super.apply(this, arguments) || this;
26
26
  }
@@ -97,18 +97,18 @@ exports.CreateOrbitalVolume = objects_1.PluginStateTransform.BuiltIn({
97
97
  to: objects_1.PluginStateObject.Volume.Data,
98
98
  params: function (a) {
99
99
  if (!a) {
100
- return (0, tslib_1.__assign)({ index: param_definition_1.ParamDefinition.Numeric(0) }, CreateOrbitalVolumeParamBase);
100
+ return tslib_1.__assign({ index: param_definition_1.ParamDefinition.Numeric(0) }, CreateOrbitalVolumeParamBase);
101
101
  }
102
- return (0, tslib_1.__assign)({ index: param_definition_1.ParamDefinition.Select(0, a.data.orbitals.map(function (o, i) { return [i, "[".concat(i + 1, "] ").concat(o.energy.toFixed(4))]; })) }, CreateOrbitalVolumeParamBase);
102
+ return tslib_1.__assign({ index: param_definition_1.ParamDefinition.Select(0, a.data.orbitals.map(function (o, i) { return [i, "[".concat(i + 1, "] ").concat(o.energy.toFixed(4))]; })) }, CreateOrbitalVolumeParamBase);
103
103
  }
104
104
  })({
105
105
  apply: function (_a, plugin) {
106
106
  var _this = this;
107
107
  var a = _a.a, params = _a.params;
108
- return mol_task_1.Task.create('Orbital Volume', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
108
+ return mol_task_1.Task.create('Orbital Volume', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
109
109
  var data, volume;
110
110
  var _a, _b, _c, _d, _e;
111
- return (0, tslib_1.__generator)(this, function (_f) {
111
+ return tslib_1.__generator(this, function (_f) {
112
112
  switch (_f.label) {
113
113
  case 0: return [4 /*yield*/, (0, orbitals_1.createSphericalCollocationGrid)({
114
114
  basis: a.data.basis,
@@ -144,10 +144,10 @@ exports.CreateOrbitalDensityVolume = objects_1.PluginStateTransform.BuiltIn({
144
144
  apply: function (_a, plugin) {
145
145
  var _this = this;
146
146
  var a = _a.a, params = _a.params;
147
- return mol_task_1.Task.create('Orbital Volume', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
147
+ return mol_task_1.Task.create('Orbital Volume', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
148
148
  var data, volume;
149
149
  var _a, _b, _c, _d, _e;
150
- return (0, tslib_1.__generator)(this, function (_f) {
150
+ return tslib_1.__generator(this, function (_f) {
151
151
  switch (_f.label) {
152
152
  case 0: return [4 /*yield*/, (0, density_1.createSphericalCollocationDensityGrid)({
153
153
  basis: a.data.basis,
@@ -194,10 +194,10 @@ exports.CreateOrbitalRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
194
194
  apply: function (_a, plugin) {
195
195
  var _this = this;
196
196
  var a = _a.a, srcParams = _a.params;
197
- return mol_task_1.Task.create('Orbitals Representation 3D', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
197
+ return mol_task_1.Task.create('Orbitals Representation 3D', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
198
198
  var params, propertyCtx, provider, props, repr;
199
199
  var _a;
200
- return (0, tslib_1.__generator)(this, function (_b) {
200
+ return tslib_1.__generator(this, function (_b) {
201
201
  switch (_b.label) {
202
202
  case 0:
203
203
  params = volumeParams(plugin, a, srcParams);
@@ -210,7 +210,7 @@ exports.CreateOrbitalRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
210
210
  _b.label = 2;
211
211
  case 2:
212
212
  props = params.type.params || {};
213
- repr = provider.factory((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.volume.themes), provider.getParams);
213
+ repr = provider.factory(tslib_1.__assign({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.volume.themes), provider.getParams);
214
214
  repr.setTheme(theme_1.Theme.create(plugin.representation.volume.themes, { volume: a.data }, params));
215
215
  return [4 /*yield*/, repr.createOrUpdate(props, a.data).runInContext(ctx)];
216
216
  case 3:
@@ -224,13 +224,13 @@ exports.CreateOrbitalRepresentation3D = objects_1.PluginStateTransform.BuiltIn({
224
224
  update: function (_a, plugin) {
225
225
  var _this = this;
226
226
  var a = _a.a, b = _a.b, srcParams = _a.newParams;
227
- return mol_task_1.Task.create('Orbitals Representation 3D', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
227
+ return mol_task_1.Task.create('Orbitals Representation 3D', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
228
228
  var newParams, props;
229
- return (0, tslib_1.__generator)(this, function (_a) {
229
+ return tslib_1.__generator(this, function (_a) {
230
230
  switch (_a.label) {
231
231
  case 0:
232
232
  newParams = volumeParams(plugin, a, srcParams);
233
- props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams.type.params);
233
+ props = tslib_1.__assign(tslib_1.__assign({}, b.data.repr.props), newParams.type.params);
234
234
  b.data.repr.setTheme(theme_1.Theme.create(plugin.representation.volume.themes, { volume: a.data }, newParams));
235
235
  return [4 /*yield*/, b.data.repr.createOrUpdate(props, a.data).runInContext(ctx)];
236
236
  case 1:
@@ -48,8 +48,8 @@ var TMDET_DEFINITION = new Set(['LEU', 'ILE', 'VAL', 'PHE', 'MET', 'GLY', 'TRP',
48
48
  */
49
49
  function computeANVIL(structure, props) {
50
50
  var _this = this;
51
- return mol_task_1.Task.create('Compute Membrane Orientation', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
52
- return (0, tslib_1.__generator)(this, function (_a) {
51
+ return mol_task_1.Task.create('Compute Membrane Orientation', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
52
+ return tslib_1.__generator(this, function (_a) {
53
53
  switch (_a.label) {
54
54
  case 0: return [4 /*yield*/, calculate(runtime, structure, props)];
55
55
  case 1: return [2 /*return*/, _a.sent()];
@@ -74,12 +74,12 @@ var v3sub = linear_algebra_1.Vec3.sub;
74
74
  var v3zero = linear_algebra_1.Vec3.zero;
75
75
  var centroidHelper = new centroid_helper_1.CentroidHelper();
76
76
  function initialize(structure, props, accessibleSurfaceArea) {
77
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
77
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
78
78
  function isPartOfEntity(l) {
79
79
  return !structure_1.Unit.isAtomic(l.unit) ? notAtomic() : l.unit.model.atomicHierarchy.residues.label_seq_id.valueKind(l.unit.residueIndex[l.element]) === 0;
80
80
  }
81
81
  var l, _a, label_atom_id, label_comp_id, x, y, z, asaCutoff, offsets, exposed, hydrophobic, definition, vec, i, il, unit, elements, j, jl, eI, centroid, k, kl, extent;
82
- return (0, tslib_1.__generator)(this, function (_b) {
82
+ return tslib_1.__generator(this, function (_b) {
83
83
  l = structure_1.StructureElement.Location.create(structure);
84
84
  _a = structure_1.StructureProperties.atom, label_atom_id = _a.label_atom_id, label_comp_id = _a.label_comp_id, x = _a.x, y = _a.y, z = _a.z;
85
85
  asaCutoff = props.asaCutoff / 100;
@@ -128,17 +128,17 @@ function initialize(structure, props, accessibleSurfaceArea) {
128
128
  centroidHelper.radiusStep(vec);
129
129
  }
130
130
  extent = 1.2 * Math.sqrt(centroidHelper.radiusSq);
131
- return [2 /*return*/, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, props), { structure: structure, offsets: offsets, exposed: exposed, hydrophobic: hydrophobic, centroid: centroid, extent: extent, large: offsets.length > LARGE_CA_THRESHOLD })];
131
+ return [2 /*return*/, tslib_1.__assign(tslib_1.__assign({}, props), { structure: structure, offsets: offsets, exposed: exposed, hydrophobic: hydrophobic, centroid: centroid, extent: extent, large: offsets.length > LARGE_CA_THRESHOLD })];
132
132
  });
133
133
  });
134
134
  }
135
135
  function calculate(runtime, structure, params) {
136
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
136
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
137
137
  var asaProps, accessibleSurfaceArea, ctx, initialHphobHphil, initialMembrane, refinedMembrane, membrane, normalVector, center, extent;
138
- return (0, tslib_1.__generator)(this, function (_a) {
138
+ return tslib_1.__generator(this, function (_a) {
139
139
  switch (_a.label) {
140
140
  case 0:
141
- asaProps = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(accessible_surface_area_1.AccessibleSurfaceAreaParams)), { probeSize: 4.0, traceOnly: true, numberOfSpherePoints: 184 });
141
+ asaProps = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(accessible_surface_area_1.AccessibleSurfaceAreaParams)), { probeSize: 4.0, traceOnly: true, numberOfSpherePoints: 184 });
142
142
  return [4 /*yield*/, shrake_rupley_1.AccessibleSurfaceArea.compute(structure, asaProps).runInContext(runtime)];
143
143
  case 1:
144
144
  accessibleSurfaceArea = _a.sent();
@@ -203,9 +203,9 @@ var MembraneCandidate;
203
203
  MembraneCandidate.scored = scored;
204
204
  })(MembraneCandidate || (MembraneCandidate = {}));
205
205
  function findMembrane(runtime, message, ctx, spherePoints, initialStats) {
206
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
206
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
207
207
  var centroid, stepSize, minThickness, maxThickness, large, membrane, qmax, diam, n, nl, spherePoint, diamNorm, sliceStats, qvartemp, i, il, c1, c2, stats, jmax, width, widthl, i, il, hphob, hphil, j, ij, stats, qvaltest;
208
- return (0, tslib_1.__generator)(this, function (_a) {
208
+ return tslib_1.__generator(this, function (_a) {
209
209
  switch (_a.label) {
210
210
  case 0:
211
211
  centroid = ctx.centroid, stepSize = ctx.stepSize, minThickness = ctx.minThickness, maxThickness = ctx.maxThickness, large = ctx.large;
@@ -274,9 +274,9 @@ function findMembrane(runtime, message, ctx, spherePoints, initialStats) {
274
274
  }
275
275
  /** Adjust membrane thickness by maximizing the number of membrane segments. */
276
276
  function adjustThickness(runtime, message, ctx, membrane, initialHphobHphil) {
277
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
277
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
278
278
  var minThickness, large, step, maxThickness, maxNos, optimalThickness, n, nl, p, temp, nos;
279
- return (0, tslib_1.__generator)(this, function (_a) {
279
+ return tslib_1.__generator(this, function (_a) {
280
280
  switch (_a.label) {
281
281
  case 0:
282
282
  minThickness = ctx.minThickness, large = ctx.large;
@@ -296,7 +296,7 @@ function adjustThickness(runtime, message, ctx, membrane, initialHphobHphil) {
296
296
  _a.sent();
297
297
  _a.label = 3;
298
298
  case 3:
299
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, ctx), { maxThickness: maxThickness, stepSize: step });
299
+ p = tslib_1.__assign(tslib_1.__assign({}, ctx), { maxThickness: maxThickness, stepSize: step });
300
300
  return [4 /*yield*/, findMembrane(runtime, void 0, p, [membrane.spherePoint], initialHphobHphil)];
301
301
  case 4:
302
302
  temp = _a.sent();
@@ -29,7 +29,7 @@ exports.ANVILMembraneOrientation = behavior_1.PluginBehavior.create({
29
29
  description: 'Data calculated with ANVIL algorithm.'
30
30
  },
31
31
  ctor: /** @class */ (function (_super) {
32
- (0, tslib_1.__extends)(class_1, _super);
32
+ tslib_1.__extends(class_1, _super);
33
33
  function class_1() {
34
34
  var _this = _super !== null && _super.apply(this, arguments) || this;
35
35
  _this.provider = prop_1.MembraneOrientationProvider;
@@ -98,7 +98,7 @@ var MembraneOrientation3D = objects_1.PluginStateTransform.BuiltIn({
98
98
  from: objects_1.PluginStateObject.Molecule.Structure,
99
99
  to: objects_1.PluginStateObject.Shape.Representation3D,
100
100
  params: function (a) {
101
- return (0, tslib_1.__assign)({}, representation_1.MembraneOrientationParams);
101
+ return tslib_1.__assign({}, representation_1.MembraneOrientationParams);
102
102
  }
103
103
  })({
104
104
  canAutoUpdate: function (_a) {
@@ -108,15 +108,15 @@ var MembraneOrientation3D = objects_1.PluginStateTransform.BuiltIn({
108
108
  apply: function (_a, plugin) {
109
109
  var _this = this;
110
110
  var a = _a.a, params = _a.params;
111
- return mol_task_1.Task.create('Membrane Orientation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
111
+ return mol_task_1.Task.create('Membrane Orientation', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
112
112
  var repr;
113
113
  var _a;
114
- return (0, tslib_1.__generator)(this, function (_b) {
114
+ return tslib_1.__generator(this, function (_b) {
115
115
  switch (_b.label) {
116
116
  case 0: return [4 /*yield*/, prop_1.MembraneOrientationProvider.attach({ runtime: ctx, assetManager: plugin.managers.asset }, a.data)];
117
117
  case 1:
118
118
  _b.sent();
119
- repr = (0, representation_1.MembraneOrientationRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return representation_1.MembraneOrientationParams; });
119
+ repr = (0, representation_1.MembraneOrientationRepresentation)(tslib_1.__assign({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return representation_1.MembraneOrientationParams; });
120
120
  return [4 /*yield*/, repr.createOrUpdate(params, a.data).runInContext(ctx)];
121
121
  case 2:
122
122
  _b.sent();
@@ -128,14 +128,14 @@ var MembraneOrientation3D = objects_1.PluginStateTransform.BuiltIn({
128
128
  update: function (_a, plugin) {
129
129
  var _this = this;
130
130
  var a = _a.a, b = _a.b, newParams = _a.newParams;
131
- return mol_task_1.Task.create('Membrane Orientation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
131
+ return mol_task_1.Task.create('Membrane Orientation', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
132
132
  var props;
133
- return (0, tslib_1.__generator)(this, function (_a) {
133
+ return tslib_1.__generator(this, function (_a) {
134
134
  switch (_a.label) {
135
135
  case 0: return [4 /*yield*/, prop_1.MembraneOrientationProvider.attach({ runtime: ctx, assetManager: plugin.managers.asset }, a.data)];
136
136
  case 1:
137
137
  _a.sent();
138
- props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
138
+ props = tslib_1.__assign(tslib_1.__assign({}, b.data.repr.props), newParams);
139
139
  return [4 /*yield*/, b.data.repr.createOrUpdate(props, a.data).runInContext(ctx)];
140
140
  case 2:
141
141
  _a.sent();
@@ -162,10 +162,10 @@ exports.MembraneOrientationPreset = (0, representation_preset_1.StructureReprese
162
162
  params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
163
163
  apply: function (ref, params, plugin) {
164
164
  var _a;
165
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
165
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
166
166
  var structureCell, structure, membraneOrientation, colorTheme, preset;
167
167
  var _this = this;
168
- return (0, tslib_1.__generator)(this, function (_b) {
168
+ return tslib_1.__generator(this, function (_b) {
169
169
  switch (_b.label) {
170
170
  case 0:
171
171
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -173,8 +173,8 @@ exports.MembraneOrientationPreset = (0, representation_preset_1.StructureReprese
173
173
  if (!structureCell || !structure)
174
174
  return [2 /*return*/, {}];
175
175
  if (!!prop_1.MembraneOrientationProvider.get(structure).value) return [3 /*break*/, 2];
176
- return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Membrane Orientation', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
177
- return (0, tslib_1.__generator)(this, function (_a) {
176
+ return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Membrane Orientation', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
177
+ return tslib_1.__generator(this, function (_a) {
178
178
  switch (_a.label) {
179
179
  case 0: return [4 /*yield*/, prop_1.MembraneOrientationProvider.attach({ runtime: runtime, assetManager: plugin.managers.asset }, structure)];
180
180
  case 1:
@@ -190,10 +190,10 @@ exports.MembraneOrientationPreset = (0, representation_preset_1.StructureReprese
190
190
  case 3:
191
191
  membraneOrientation = _b.sent();
192
192
  colorTheme = hydrophobicity_1.HydrophobicityColorThemeProvider.name;
193
- return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
193
+ return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
194
194
  case 4:
195
195
  preset = _b.sent();
196
- return [2 /*return*/, { components: preset.components, representations: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, preset.representations), { membraneOrientation: membraneOrientation }) }];
196
+ return [2 /*return*/, { components: preset.components, representations: tslib_1.__assign(tslib_1.__assign({}, preset.representations), { membraneOrientation: membraneOrientation }) }];
197
197
  }
198
198
  });
199
199
  });
@@ -17,7 +17,7 @@ var linear_algebra_1 = require("../../mol-math/linear-algebra");
17
17
  var base_1 = require("../../mol-script/runtime/query/base");
18
18
  var symbol_1 = require("../../mol-script/language/symbol");
19
19
  var type_1 = require("../../mol-script/language/type");
20
- exports.MembraneOrientationParams = (0, tslib_1.__assign)({}, algorithm_1.ANVILParams);
20
+ exports.MembraneOrientationParams = tslib_1.__assign({}, algorithm_1.ANVILParams);
21
21
  var MembraneOrientation;
22
22
  (function (MembraneOrientation) {
23
23
  var Tag;
@@ -52,13 +52,13 @@ exports.MembraneOrientationProvider = custom_structure_property_1.CustomStructur
52
52
  defaultParams: exports.MembraneOrientationParams,
53
53
  getParams: function (data) { return exports.MembraneOrientationParams; },
54
54
  isApplicable: function (data) { return true; },
55
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
55
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
56
56
  var p;
57
57
  var _a;
58
- return (0, tslib_1.__generator)(this, function (_b) {
58
+ return tslib_1.__generator(this, function (_b) {
59
59
  switch (_b.label) {
60
60
  case 0:
61
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.MembraneOrientationParams)), props);
61
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.MembraneOrientationParams)), props);
62
62
  _a = {};
63
63
  return [4 /*yield*/, computeAnvil(ctx, data, p)];
64
64
  case 1: return [2 /*return*/, (_a.value = _b.sent(), _a)];
@@ -67,12 +67,12 @@ exports.MembraneOrientationProvider = custom_structure_property_1.CustomStructur
67
67
  }); }
68
68
  });
69
69
  function computeAnvil(ctx, data, props) {
70
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
70
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
71
71
  var p;
72
- return (0, tslib_1.__generator)(this, function (_a) {
72
+ return tslib_1.__generator(this, function (_a) {
73
73
  switch (_a.label) {
74
74
  case 0:
75
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(algorithm_1.ANVILParams)), props);
75
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(algorithm_1.ANVILParams)), props);
76
76
  return [4 /*yield*/, (0, algorithm_1.computeANVIL)(data, p).runInContext(ctx.runtime)];
77
77
  case 1: return [2 /*return*/, _a.sent()];
78
78
  }
@@ -29,13 +29,13 @@ var SharedParams = {
29
29
  color: param_definition_1.ParamDefinition.Color(names_1.ColorNames.lightgrey),
30
30
  radiusFactor: param_definition_1.ParamDefinition.Numeric(1.2, { min: 0.1, max: 3.0, step: 0.01 }, { description: 'Scale the radius of the membrane layer' })
31
31
  };
32
- var BilayerPlanesParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, mesh_1.Mesh.Params), SharedParams), { sectorOpacity: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 1, step: 0.01 }) });
33
- var BilayerRimsParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, lines_1.Lines.Params), SharedParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), linesSize: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0.01, max: 50, step: 0.01 }), dashedLines: param_definition_1.ParamDefinition.Boolean(false) });
32
+ var BilayerPlanesParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params), SharedParams), { sectorOpacity: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 1, step: 0.01 }) });
33
+ var BilayerRimsParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, lines_1.Lines.Params), SharedParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), linesSize: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0.01, max: 50, step: 0.01 }), dashedLines: param_definition_1.ParamDefinition.Boolean(false) });
34
34
  var MembraneOrientationVisuals = {
35
- 'bilayer-planes': function (ctx, getParams) { return (0, representation_3.ShapeRepresentation)(getBilayerPlanes, mesh_1.Mesh.Utils, { modifyState: function (s) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); }, modifyProps: function (p) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, p), { alpha: p.sectorOpacity, ignoreLight: true, doubleSided: false })); } }); },
36
- 'bilayer-rims': function (ctx, getParams) { return (0, representation_3.ShapeRepresentation)(getBilayerRims, lines_1.Lines.Utils, { modifyState: function (s) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); }
35
+ 'bilayer-planes': function (ctx, getParams) { return (0, representation_3.ShapeRepresentation)(getBilayerPlanes, mesh_1.Mesh.Utils, { modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); }, modifyProps: function (p) { return (tslib_1.__assign(tslib_1.__assign({}, p), { alpha: p.sectorOpacity, ignoreLight: true, doubleSided: false })); } }); },
36
+ 'bilayer-rims': function (ctx, getParams) { return (0, representation_3.ShapeRepresentation)(getBilayerRims, lines_1.Lines.Utils, { modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); }
37
37
  };
38
- exports.MembraneOrientationParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, BilayerPlanesParams), BilayerRimsParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['bilayer-planes', 'bilayer-rims'], param_definition_1.ParamDefinition.objectToOptions(MembraneOrientationVisuals)) });
38
+ exports.MembraneOrientationParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, BilayerPlanesParams), BilayerRimsParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['bilayer-planes', 'bilayer-rims'], param_definition_1.ParamDefinition.objectToOptions(MembraneOrientationVisuals)) });
39
39
  function getMembraneOrientationParams(ctx, structure) {
40
40
  return param_definition_1.ParamDefinition.clone(exports.MembraneOrientationParams);
41
41
  }
@@ -19,7 +19,7 @@ exports.CellPack = behavior_1.PluginBehavior.create({
19
19
  description: 'CellPack Model Loading and Viewing.'
20
20
  },
21
21
  ctor: /** @class */ (function (_super) {
22
- (0, tslib_1.__extends)(class_1, _super);
22
+ tslib_1.__extends(class_1, _super);
23
23
  function class_1() {
24
24
  return _super !== null && _super.apply(this, arguments) || this;
25
25
  }