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
@@ -47,9 +47,9 @@ var ValidationReport;
47
47
  }
48
48
  ValidationReport.fromXml = fromXml;
49
49
  function fetch(ctx, model, props) {
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 url, xml;
52
- return (0, tslib_1.__generator)(this, function (_a) {
52
+ return tslib_1.__generator(this, function (_a) {
53
53
  switch (_a.label) {
54
54
  case 0:
55
55
  url = assets_1.Asset.getUrlAsset(ctx.assetManager, getEntryUrl(model.entryId, props.baseUrl));
@@ -63,9 +63,9 @@ var ValidationReport;
63
63
  }
64
64
  ValidationReport.fetch = fetch;
65
65
  function open(ctx, model, props) {
66
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
66
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
67
67
  var xml;
68
- return (0, tslib_1.__generator)(this, function (_a) {
68
+ return tslib_1.__generator(this, function (_a) {
69
69
  switch (_a.label) {
70
70
  case 0:
71
71
  if (props.input === null)
@@ -80,8 +80,8 @@ var ValidationReport;
80
80
  }
81
81
  ValidationReport.open = open;
82
82
  function obtain(ctx, model, props) {
83
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
84
- return (0, tslib_1.__generator)(this, function (_a) {
83
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
84
+ return tslib_1.__generator(this, function (_a) {
85
85
  switch (props.source.name) {
86
86
  case 'file': return [2 /*return*/, open(ctx, model, props.source.params)];
87
87
  case 'server': return [2 /*return*/, fetch(ctx, model, props.source.params)];
@@ -132,12 +132,12 @@ exports.ValidationReportProvider = custom_model_property_1.CustomModelProperty.c
132
132
  defaultParams: exports.ValidationReportParams,
133
133
  getParams: function (data) { return exports.ValidationReportParams; },
134
134
  isApplicable: function (data) { return ValidationReport.isApplicable(data); },
135
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
135
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
136
136
  var p;
137
- return (0, tslib_1.__generator)(this, function (_a) {
137
+ return tslib_1.__generator(this, function (_a) {
138
138
  switch (_a.label) {
139
139
  case 0:
140
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.ValidationReportParams)), props);
140
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.ValidationReportParams)), props);
141
141
  return [4 /*yield*/, ValidationReport.obtain(ctx, data, p)];
142
142
  case 1: return [2 /*return*/, _a.sent()];
143
143
  }
@@ -241,9 +241,9 @@ exports.ClashesProvider = custom_structure_property_1.CustomStructureProperty.cr
241
241
  defaultParams: {},
242
242
  getParams: function (data) { return ({}); },
243
243
  isApplicable: function (data) { return true; },
244
- obtain: function (ctx, data) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
244
+ obtain: function (ctx, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
245
245
  var validationReport;
246
- return (0, tslib_1.__generator)(this, function (_a) {
246
+ return tslib_1.__generator(this, function (_a) {
247
247
  switch (_a.label) {
248
248
  case 0: return [4 /*yield*/, exports.ValidationReportProvider.attach(ctx, data.models[0])];
249
249
  case 1:
@@ -389,7 +389,7 @@ function parseValidationReportXml(xml, model) {
389
389
  var atomB = index.findAtomOnResidue(rI, getItem(bo, 'atom1'));
390
390
  addIndex(idx, atomA, bondOutliers.index);
391
391
  addIndex(idx, atomB, bondOutliers.index);
392
- bondOutliers.data.push((0, tslib_1.__assign)({ tag: 'bond-outlier', atomA: atomA, atomB: atomB }, getMolInfo(bo)));
392
+ bondOutliers.data.push(tslib_1.__assign({ tag: 'bond-outlier', atomA: atomA, atomB: atomB }, getMolInfo(bo)));
393
393
  }
394
394
  var molAngleOutliers = g.getElementsByTagName('angle-outlier');
395
395
  if (molAngleOutliers.length)
@@ -403,7 +403,7 @@ function parseValidationReportXml(xml, model) {
403
403
  addIndex(idx, atomA, angleOutliers.index);
404
404
  addIndex(idx, atomB, angleOutliers.index);
405
405
  addIndex(idx, atomC, angleOutliers.index);
406
- angleOutliers.data.push((0, tslib_1.__assign)({ tag: 'angle-outlier', atomA: atomA, atomB: atomB, atomC: atomC }, getMolInfo(ao)));
406
+ angleOutliers.data.push(tslib_1.__assign({ tag: 'angle-outlier', atomA: atomA, atomB: atomB, atomC: atomC }, getMolInfo(ao)));
407
407
  }
408
408
  var planeOutliers = g.getElementsByTagName('plane-outlier');
409
409
  if (planeOutliers.length)
@@ -427,7 +427,7 @@ function parseValidationReportXml(xml, model) {
427
427
  var atomB = index.findAtomOnResidue(rI, atoms[1]);
428
428
  addIndex(idx, atomA, bondOutliers.index);
429
429
  addIndex(idx, atomB, bondOutliers.index);
430
- bondOutliers.data.push((0, tslib_1.__assign)({ tag: 'mog-bond-outlier', atomA: atomA, atomB: atomB }, getMogInfo(mbo)));
430
+ bondOutliers.data.push(tslib_1.__assign({ tag: 'mog-bond-outlier', atomA: atomA, atomB: atomB }, getMogInfo(mbo)));
431
431
  }
432
432
  var mogAngleOutliers = g.getElementsByTagName('mog-angle-outlier');
433
433
  if (mogAngleOutliers.length)
@@ -442,7 +442,7 @@ function parseValidationReportXml(xml, model) {
442
442
  addIndex(idx, atomA, angleOutliers.index);
443
443
  addIndex(idx, atomB, angleOutliers.index);
444
444
  addIndex(idx, atomC, angleOutliers.index);
445
- angleOutliers.data.push((0, tslib_1.__assign)({ tag: 'mog-angle-outlier', atomA: atomA, atomB: atomB, atomC: atomC }, getMogInfo(mao)));
445
+ angleOutliers.data.push(tslib_1.__assign({ tag: 'mog-angle-outlier', atomA: atomA, atomB: atomB, atomC: atomC }, getMogInfo(mao)));
446
446
  }
447
447
  }
448
448
  var clashes_1 = g.getElementsByTagName('clash');
@@ -21,6 +21,7 @@ var complex_visual_1 = require("../../../mol-repr/structure/complex-visual");
21
21
  var color_1 = require("../../../mol-util/color");
22
22
  var marker_action_1 = require("../../../mol-util/marker-action");
23
23
  var centroid_helper_1 = require("../../../mol-math/geometry/centroid-helper");
24
+ var geometry_1 = require("../../../mol-math/geometry");
24
25
  var label_1 = require("../../../mol-theme/label");
25
26
  var params_1 = require("../../../mol-repr/structure/params");
26
27
  //
@@ -44,9 +45,17 @@ function createIntraUnitClashCylinderMesh(ctx, unit, structure, theme, props, me
44
45
  style: function (edgeIndex) { return 6 /* Disk */; },
45
46
  radius: function (edgeIndex) { return magnitude[edgeIndex] * sizeFactor; },
46
47
  };
47
- return (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh);
48
+ var _a = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
49
+ if (boundingSphere) {
50
+ m.setBoundingSphere(boundingSphere);
51
+ }
52
+ else if (m.triangleCount > 0) {
53
+ var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, 1 * sizeFactor);
54
+ m.setBoundingSphere(sphere);
55
+ }
56
+ return m;
48
57
  }
49
- exports.IntraUnitClashParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { linkCap: param_definition_1.ParamDefinition.Boolean(true), sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.01 }) });
58
+ exports.IntraUnitClashParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { linkCap: param_definition_1.ParamDefinition.Boolean(true), sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.01 }) });
50
59
  function IntraUnitClashVisual(materialId) {
51
60
  return (0, units_visual_1.UnitsMeshVisual)({
52
61
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IntraUnitClashParams),
@@ -137,9 +146,17 @@ function createInterUnitClashCylinderMesh(ctx, structure, theme, props, mesh) {
137
146
  style: function (edgeIndex) { return 6 /* Disk */; },
138
147
  radius: function (edgeIndex) { return edges[edgeIndex].props.magnitude * sizeFactor; }
139
148
  };
140
- return (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh);
149
+ var _a = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
150
+ if (boundingSphere) {
151
+ m.setBoundingSphere(boundingSphere);
152
+ }
153
+ else {
154
+ var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, 1 * sizeFactor);
155
+ m.setBoundingSphere(sphere);
156
+ }
157
+ return m;
141
158
  }
142
- exports.InterUnitClashParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { linkCap: param_definition_1.ParamDefinition.Boolean(true), sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.01 }) });
159
+ exports.InterUnitClashParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { linkCap: param_definition_1.ParamDefinition.Boolean(true), sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.01 }) });
143
160
  function InterUnitClashVisual(materialId) {
144
161
  return (0, complex_visual_1.ComplexMeshVisual)({
145
162
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.InterUnitClashParams),
@@ -214,7 +231,7 @@ var ClashesVisuals = {
214
231
  'intra-clash': function (ctx, getParams) { return (0, representation_2.UnitsRepresentation)('Intra-unit clash cylinder', ctx, getParams, IntraUnitClashVisual); },
215
232
  'inter-clash': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Inter-unit clash cylinder', ctx, getParams, InterUnitClashVisual); },
216
233
  };
217
- exports.ClashesParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.IntraUnitClashParams), exports.InterUnitClashParams), { unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), visuals: param_definition_1.ParamDefinition.MultiSelect(['intra-clash', 'inter-clash'], param_definition_1.ParamDefinition.objectToOptions(ClashesVisuals)) });
234
+ exports.ClashesParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, exports.IntraUnitClashParams), exports.InterUnitClashParams), { unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), visuals: param_definition_1.ParamDefinition.MultiSelect(['intra-clash', 'inter-clash'], param_definition_1.ParamDefinition.objectToOptions(ClashesVisuals)) });
218
235
  function getClashesParams(ctx, structure) {
219
236
  return param_definition_1.ParamDefinition.clone(exports.ClashesParams);
220
237
  }
@@ -0,0 +1,7 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
7
+ export declare const ZenodoImport: import("../../mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {}>;
@@ -0,0 +1,35 @@
1
+ "use strict";
2
+ /**
3
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
+ *
5
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
+ */
7
+ Object.defineProperty(exports, "__esModule", { value: true });
8
+ exports.ZenodoImport = void 0;
9
+ var tslib_1 = require("tslib");
10
+ var behavior_1 = require("../../mol-plugin/behavior/behavior");
11
+ var ui_1 = require("./ui");
12
+ exports.ZenodoImport = behavior_1.PluginBehavior.create({
13
+ name: 'extension-zenodo-import',
14
+ category: 'misc',
15
+ display: {
16
+ name: 'Zenodo Export'
17
+ },
18
+ ctor: /** @class */ (function (_super) {
19
+ tslib_1.__extends(class_1, _super);
20
+ function class_1() {
21
+ return _super !== null && _super.apply(this, arguments) || this;
22
+ }
23
+ class_1.prototype.register = function () {
24
+ this.ctx.customImportControls.set('zenodo-import', ui_1.ZenodoImportUI);
25
+ };
26
+ class_1.prototype.update = function () {
27
+ return false;
28
+ };
29
+ class_1.prototype.unregister = function () {
30
+ this.ctx.customImportControls.delete('zenodo-import');
31
+ };
32
+ return class_1;
33
+ }(behavior_1.PluginBehavior.Handler)),
34
+ params: function () { return ({}); }
35
+ });
@@ -0,0 +1,61 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ /// <reference types="react" />
7
+ import { CollapsableControls, CollapsableState } from '../../mol-plugin-ui/base';
8
+ import { PluginContext } from '../../mol-plugin/context';
9
+ import { ParamDefinition as PD } from '../../mol-util/param-definition';
10
+ declare type ZenodoFile = {
11
+ bucket: string;
12
+ checksum: string;
13
+ key: string;
14
+ links: {
15
+ [key: string]: string;
16
+ self: string;
17
+ };
18
+ size: number;
19
+ type: string;
20
+ };
21
+ declare type ZenodoRecord = {
22
+ id: number;
23
+ conceptdoi: string;
24
+ conceptrecid: string;
25
+ created: string;
26
+ doi: string;
27
+ files: ZenodoFile[];
28
+ revision: number;
29
+ updated: string;
30
+ metadata: {
31
+ title: string;
32
+ };
33
+ };
34
+ interface State {
35
+ busy?: boolean;
36
+ recordValues: PD.Values<typeof ZenodoImportParams>;
37
+ importValues?: PD.Values<ImportParams>;
38
+ importParams?: ImportParams;
39
+ record?: ZenodoRecord;
40
+ files?: ZenodoFile[];
41
+ }
42
+ declare const ZenodoImportParams: {
43
+ record: PD.Text<string>;
44
+ };
45
+ declare function createImportParams(files: ZenodoFile[], plugin: PluginContext): {
46
+ type: PD.Mapped<PD.NamedParams<any, string> | PD.NamedParams<any, number>>;
47
+ };
48
+ declare type ImportParams = ReturnType<typeof createImportParams>;
49
+ export declare class ZenodoImportUI extends CollapsableControls<{}, State> {
50
+ protected defaultState(): State & CollapsableState;
51
+ private recordParamsOnChange;
52
+ private importParamsOnChange;
53
+ private loadRecord;
54
+ private loadFile;
55
+ private clearRecord;
56
+ private renderLoadRecord;
57
+ private renderRecordInfo;
58
+ private renderImportFile;
59
+ protected renderControls(): JSX.Element | null;
60
+ }
61
+ export {};
@@ -0,0 +1,306 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.ZenodoImportUI = void 0;
4
+ var tslib_1 = require("tslib");
5
+ var jsx_runtime_1 = require("react/jsx-runtime");
6
+ /**
7
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
8
+ *
9
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
10
+ */
11
+ var file_1 = require("../../mol-plugin-state/actions/file");
12
+ var structure_1 = require("../../mol-plugin-state/actions/structure");
13
+ var volume_1 = require("../../mol-plugin-state/actions/volume");
14
+ var coordinates_1 = require("../../mol-plugin-state/formats/coordinates");
15
+ var topology_1 = require("../../mol-plugin-state/formats/topology");
16
+ var trajectory_1 = require("../../mol-plugin-state/formats/trajectory");
17
+ var volume_2 = require("../../mol-plugin-state/formats/volume");
18
+ var base_1 = require("../../mol-plugin-ui/base");
19
+ var common_1 = require("../../mol-plugin-ui/controls/common");
20
+ var icons_1 = require("../../mol-plugin-ui/controls/icons");
21
+ var parameters_1 = require("../../mol-plugin-ui/controls/parameters");
22
+ var mol_util_1 = require("../../mol-util");
23
+ var param_definition_1 = require("../../mol-util/param-definition");
24
+ var ZenodoImportParams = {
25
+ record: param_definition_1.ParamDefinition.Text('', { description: 'Zenodo ID.' })
26
+ };
27
+ function createImportParams(files, plugin) {
28
+ var modelOpts = [];
29
+ var topologyOpts = [];
30
+ var coordinatesOpts = [];
31
+ var volumeOpts = [];
32
+ var compressedOpts = [];
33
+ var structureExts = new Map();
34
+ var coordinatesExts = new Map();
35
+ var topologyExts = new Map();
36
+ var volumeExts = new Map();
37
+ for (var _i = 0, _a = plugin.dataFormats.list; _i < _a.length; _i++) {
38
+ var _b = _a[_i], _c = _b.provider, category = _c.category, binaryExtensions = _c.binaryExtensions, stringExtensions = _c.stringExtensions, name_1 = _b.name;
39
+ if (category === trajectory_1.TrajectoryFormatCategory) {
40
+ if (binaryExtensions)
41
+ for (var _d = 0, binaryExtensions_1 = binaryExtensions; _d < binaryExtensions_1.length; _d++) {
42
+ var e = binaryExtensions_1[_d];
43
+ structureExts.set(e, { format: name_1, isBinary: true });
44
+ }
45
+ if (stringExtensions)
46
+ for (var _e = 0, stringExtensions_1 = stringExtensions; _e < stringExtensions_1.length; _e++) {
47
+ var e = stringExtensions_1[_e];
48
+ structureExts.set(e, { format: name_1, isBinary: false });
49
+ }
50
+ }
51
+ else if (category === volume_2.VolumeFormatCategory) {
52
+ if (binaryExtensions)
53
+ for (var _f = 0, binaryExtensions_2 = binaryExtensions; _f < binaryExtensions_2.length; _f++) {
54
+ var e = binaryExtensions_2[_f];
55
+ volumeExts.set(e, { format: name_1, isBinary: true });
56
+ }
57
+ if (stringExtensions)
58
+ for (var _g = 0, stringExtensions_2 = stringExtensions; _g < stringExtensions_2.length; _g++) {
59
+ var e = stringExtensions_2[_g];
60
+ volumeExts.set(e, { format: name_1, isBinary: false });
61
+ }
62
+ }
63
+ else if (category === coordinates_1.CoordinatesFormatCategory) {
64
+ if (binaryExtensions)
65
+ for (var _h = 0, binaryExtensions_3 = binaryExtensions; _h < binaryExtensions_3.length; _h++) {
66
+ var e = binaryExtensions_3[_h];
67
+ coordinatesExts.set(e, { format: name_1, isBinary: true });
68
+ }
69
+ if (stringExtensions)
70
+ for (var _j = 0, stringExtensions_3 = stringExtensions; _j < stringExtensions_3.length; _j++) {
71
+ var e = stringExtensions_3[_j];
72
+ coordinatesExts.set(e, { format: name_1, isBinary: false });
73
+ }
74
+ }
75
+ else if (category === topology_1.TopologyFormatCategory) {
76
+ if (binaryExtensions)
77
+ for (var _k = 0, binaryExtensions_4 = binaryExtensions; _k < binaryExtensions_4.length; _k++) {
78
+ var e = binaryExtensions_4[_k];
79
+ topologyExts.set(e, { format: name_1, isBinary: true });
80
+ }
81
+ if (stringExtensions)
82
+ for (var _l = 0, stringExtensions_4 = stringExtensions; _l < stringExtensions_4.length; _l++) {
83
+ var e = stringExtensions_4[_l];
84
+ topologyExts.set(e, { format: name_1, isBinary: false });
85
+ }
86
+ }
87
+ }
88
+ for (var _m = 0, files_1 = files; _m < files_1.length; _m++) {
89
+ var file = files_1[_m];
90
+ var label = "".concat(file.key, " (").concat((0, mol_util_1.formatBytes)(file.size), ")");
91
+ if (structureExts.has(file.type)) {
92
+ var _o = structureExts.get(file.type), format = _o.format, isBinary = _o.isBinary;
93
+ modelOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
94
+ topologyOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
95
+ }
96
+ else if (volumeExts.has(file.type)) {
97
+ var _p = volumeExts.get(file.type), format = _p.format, isBinary = _p.isBinary;
98
+ volumeOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
99
+ }
100
+ else if (topologyExts.has(file.type)) {
101
+ var _q = topologyExts.get(file.type), format = _q.format, isBinary = _q.isBinary;
102
+ topologyOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
103
+ }
104
+ else if (coordinatesExts.has(file.type)) {
105
+ var _r = coordinatesExts.get(file.type), format = _r.format, isBinary = _r.isBinary;
106
+ coordinatesOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
107
+ }
108
+ else if (file.type === 'zip') {
109
+ compressedOpts.push(["".concat(file.links.self, "|").concat(file.type, "|true"), label]);
110
+ }
111
+ }
112
+ var params = {};
113
+ var defaultType = '';
114
+ if (modelOpts.length) {
115
+ defaultType = 'structure';
116
+ params.structure = param_definition_1.ParamDefinition.Select(modelOpts[0][0], modelOpts);
117
+ }
118
+ if (topologyOpts.length && coordinatesOpts.length) {
119
+ if (!defaultType)
120
+ defaultType = 'trajectory';
121
+ params.trajectory = param_definition_1.ParamDefinition.Group({
122
+ topology: param_definition_1.ParamDefinition.Select(topologyOpts[0][0], topologyOpts),
123
+ coordinates: param_definition_1.ParamDefinition.Select(coordinatesOpts[0][0], coordinatesOpts),
124
+ }, { isFlat: true });
125
+ }
126
+ if (volumeOpts.length) {
127
+ if (!defaultType)
128
+ defaultType = 'volume';
129
+ params.volume = param_definition_1.ParamDefinition.Select(volumeOpts[0][0], volumeOpts);
130
+ }
131
+ if (compressedOpts.length) {
132
+ if (!defaultType)
133
+ defaultType = 'compressed';
134
+ params.compressed = param_definition_1.ParamDefinition.Select(compressedOpts[0][0], compressedOpts);
135
+ }
136
+ return {
137
+ type: param_definition_1.ParamDefinition.MappedStatic(defaultType, Object.keys(params).length ? params : { '': param_definition_1.ParamDefinition.EmptyGroup() })
138
+ };
139
+ }
140
+ var ZenodoImportUI = /** @class */ (function (_super) {
141
+ tslib_1.__extends(ZenodoImportUI, _super);
142
+ function ZenodoImportUI() {
143
+ var _this = _super !== null && _super.apply(this, arguments) || this;
144
+ _this.recordParamsOnChange = function (values) {
145
+ _this.setState({ recordValues: values });
146
+ };
147
+ _this.importParamsOnChange = function (values) {
148
+ _this.setState({ importValues: values });
149
+ };
150
+ _this.loadRecord = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
151
+ var record, importParams, e_1;
152
+ return tslib_1.__generator(this, function (_a) {
153
+ switch (_a.label) {
154
+ case 0:
155
+ _a.trys.push([0, 2, , 3]);
156
+ this.setState({ busy: true });
157
+ return [4 /*yield*/, this.plugin.runTask(this.plugin.fetch({ url: "https://zenodo.org/api/records/".concat(this.state.recordValues.record), type: 'json' }))];
158
+ case 1:
159
+ record = _a.sent();
160
+ importParams = createImportParams(record.files, this.plugin);
161
+ this.setState({
162
+ record: record,
163
+ files: record.files,
164
+ busy: false,
165
+ importValues: param_definition_1.ParamDefinition.getDefaultValues(importParams),
166
+ importParams: importParams
167
+ });
168
+ return [3 /*break*/, 3];
169
+ case 2:
170
+ e_1 = _a.sent();
171
+ console.error(e_1);
172
+ this.plugin.log.error("Failed to load Zenodo record '".concat(this.state.recordValues.record, "'"));
173
+ this.setState({ busy: false });
174
+ return [3 /*break*/, 3];
175
+ case 3: return [2 /*return*/];
176
+ }
177
+ });
178
+ }); };
179
+ _this.loadFile = function (values) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
180
+ var t, defaultParams, _a, url, format, isBinary, _b, topologyUrl, topologyFormat, topologyIsBinary, _c, coordinatesUrl, coordinatesFormat, coordinatesIsBinary, _d, url, format, isBinary, _e, url, format, isBinary, e_2;
181
+ return tslib_1.__generator(this, function (_f) {
182
+ switch (_f.label) {
183
+ case 0:
184
+ _f.trys.push([0, 9, 10, 11]);
185
+ this.setState({ busy: true });
186
+ t = values.type;
187
+ if (!(t.name === 'structure')) return [3 /*break*/, 2];
188
+ defaultParams = structure_1.DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
189
+ _a = t.params.split('|'), url = _a[0], format = _a[1], isBinary = _a[2];
190
+ return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.DownloadStructure, {
191
+ source: {
192
+ name: 'url',
193
+ params: {
194
+ url: url,
195
+ format: format,
196
+ isBinary: isBinary === 'true',
197
+ options: defaultParams.source.params.options,
198
+ }
199
+ }
200
+ }))];
201
+ case 1:
202
+ _f.sent();
203
+ return [3 /*break*/, 8];
204
+ case 2:
205
+ if (!(t.name === 'trajectory')) return [3 /*break*/, 4];
206
+ _b = t.params.topology.split('|'), topologyUrl = _b[0], topologyFormat = _b[1], topologyIsBinary = _b[2];
207
+ _c = t.params.coordinates.split('|'), coordinatesUrl = _c[0], coordinatesFormat = _c[1], coordinatesIsBinary = _c[2];
208
+ return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.LoadTrajectory, {
209
+ source: {
210
+ name: 'url',
211
+ params: {
212
+ model: {
213
+ url: topologyUrl,
214
+ format: topologyFormat,
215
+ isBinary: topologyIsBinary === 'true',
216
+ },
217
+ coordinates: {
218
+ url: coordinatesUrl,
219
+ format: coordinatesFormat,
220
+ isBinary: coordinatesIsBinary === 'true',
221
+ },
222
+ }
223
+ }
224
+ }))];
225
+ case 3:
226
+ _f.sent();
227
+ return [3 /*break*/, 8];
228
+ case 4:
229
+ if (!(t.name === 'volume')) return [3 /*break*/, 6];
230
+ _d = t.params.split('|'), url = _d[0], format = _d[1], isBinary = _d[2];
231
+ return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(volume_1.DownloadDensity, {
232
+ source: {
233
+ name: 'url',
234
+ params: {
235
+ url: url,
236
+ format: format,
237
+ isBinary: isBinary === 'true',
238
+ }
239
+ }
240
+ }))];
241
+ case 5:
242
+ _f.sent();
243
+ return [3 /*break*/, 8];
244
+ case 6:
245
+ if (!(t.name === 'compressed')) return [3 /*break*/, 8];
246
+ _e = t.params.split('|'), url = _e[0], format = _e[1], isBinary = _e[2];
247
+ return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(file_1.DownloadFile, {
248
+ url: url,
249
+ format: format,
250
+ isBinary: isBinary === 'true',
251
+ visuals: true
252
+ }))];
253
+ case 7:
254
+ _f.sent();
255
+ _f.label = 8;
256
+ case 8: return [3 /*break*/, 11];
257
+ case 9:
258
+ e_2 = _f.sent();
259
+ console.error(e_2);
260
+ this.plugin.log.error("Failed to load Zenodo file");
261
+ return [3 /*break*/, 11];
262
+ case 10:
263
+ this.setState({ busy: false });
264
+ return [7 /*endfinally*/];
265
+ case 11: return [2 /*return*/];
266
+ }
267
+ });
268
+ }); };
269
+ _this.clearRecord = function () {
270
+ _this.setState({
271
+ importValues: undefined,
272
+ importParams: undefined,
273
+ record: undefined,
274
+ files: undefined
275
+ });
276
+ };
277
+ return _this;
278
+ }
279
+ ZenodoImportUI.prototype.defaultState = function () {
280
+ return {
281
+ header: 'Zenodo Import',
282
+ isCollapsed: true,
283
+ brand: { accent: 'cyan', svg: icons_1.OpenInBrowserSvg },
284
+ recordValues: param_definition_1.ParamDefinition.getDefaultValues(ZenodoImportParams),
285
+ importValues: undefined,
286
+ importParams: undefined,
287
+ record: undefined,
288
+ files: undefined,
289
+ };
290
+ };
291
+ ZenodoImportUI.prototype.renderLoadRecord = function () {
292
+ return (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ style: { marginBottom: 10 } }, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: ZenodoImportParams, values: this.state.recordValues, onChangeValues: this.recordParamsOnChange, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: this.loadRecord, style: { marginTop: 1 }, disabled: this.state.busy || !this.state.recordValues.record }, { children: "Load Record" }))] }));
293
+ };
294
+ ZenodoImportUI.prototype.renderRecordInfo = function (record) {
295
+ return (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ style: { marginBottom: 10 } }, { children: [(0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-help-text' }, { children: (0, jsx_runtime_1.jsxs)("div", { children: ["Record ", "".concat(record.id), ": ", (0, jsx_runtime_1.jsx)("i", { children: "".concat(record.metadata.title) })] }) })), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: this.clearRecord, style: { marginTop: 1 }, disabled: this.state.busy }, { children: "Clear" }))] }));
296
+ };
297
+ ZenodoImportUI.prototype.renderImportFile = function (params, values) {
298
+ var _this = this;
299
+ return values.type.name ? (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ style: { marginBottom: 10 } }, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: params, values: this.state.importValues, onChangeValues: this.importParamsOnChange, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: function () { return _this.loadFile(values); }, style: { marginTop: 1 }, disabled: this.state.busy }, { children: "Import File" }))] })) : (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-help-text', style: { marginBottom: 10 } }, { children: (0, jsx_runtime_1.jsx)("div", { children: "No supported files" }) }));
300
+ };
301
+ ZenodoImportUI.prototype.renderControls = function () {
302
+ return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [!this.state.record ? this.renderLoadRecord() : null, this.state.record ? this.renderRecordInfo(this.state.record) : null, this.state.importParams && this.state.importValues ? this.renderImportFile(this.state.importParams, this.state.importValues) : null] });
303
+ };
304
+ return ZenodoImportUI;
305
+ }(base_1.CollapsableControls));
306
+ exports.ZenodoImportUI = ZenodoImportUI;
@@ -25,7 +25,7 @@ var StereoCamera = /** @class */ (function () {
25
25
  this.parent = parent;
26
26
  this.left = new EyeCamera();
27
27
  this.right = new EyeCamera();
28
- this.props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultStereoCameraProps), props);
28
+ this.props = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultStereoCameraProps), props);
29
29
  }
30
30
  Object.defineProperty(StereoCamera.prototype, "viewport", {
31
31
  get: function () {
@@ -22,7 +22,7 @@ exports.Viewport = Viewport;
22
22
  }
23
23
  Viewport.create = create;
24
24
  function clone(viewport) {
25
- return (0, tslib_1.__assign)({}, viewport);
25
+ return tslib_1.__assign({}, viewport);
26
26
  }
27
27
  Viewport.clone = clone;
28
28
  function copy(target, source) {
@@ -11,6 +11,7 @@ var linear_algebra_1 = require("../mol-math/linear-algebra");
11
11
  var util_1 = require("./camera/util");
12
12
  var transition_1 = require("./camera/transition");
13
13
  var rxjs_1 = require("rxjs");
14
+ var type_helpers_1 = require("../mol-util/type-helpers");
14
15
  var tmpPos1 = (0, linear_algebra_1.Vec3)();
15
16
  var tmpPos2 = (0, linear_algebra_1.Vec3)();
16
17
  var tmpClip = (0, linear_algebra_1.Vec4)();
@@ -80,7 +81,7 @@ var Camera = /** @class */ (function () {
80
81
  case 'perspective':
81
82
  updatePers(this);
82
83
  break;
83
- default: throw new Error('unknown camera mode');
84
+ default: (0, type_helpers_1.assertUnreachable)(this.state.mode);
84
85
  }
85
86
  var changed = !linear_algebra_1.Mat4.areEqual(this.projection, this.prevProjection, linear_algebra_1.EPSILON) || !linear_algebra_1.Mat4.areEqual(this.view, this.prevView, linear_algebra_1.EPSILON);
86
87
  if (changed) {