molstar 3.3.1 → 3.4.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (777) hide show
  1. package/README.md +3 -0
  2. package/build/viewer/molstar.js +1 -1
  3. package/lib/apps/docking-viewer/viewport.js +1 -1
  4. package/lib/apps/viewer/app.d.ts +7 -6
  5. package/lib/apps/viewer/app.js +2 -0
  6. package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  7. package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
  8. package/lib/commonjs/apps/docking-viewer/index.js +12 -12
  9. package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
  10. package/lib/commonjs/apps/viewer/app.d.ts +7 -6
  11. package/lib/commonjs/apps/viewer/app.js +24 -22
  12. package/lib/commonjs/apps/viewer/index.js +1 -1
  13. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
  14. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  15. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
  16. package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
  17. package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
  18. package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
  19. package/lib/commonjs/cli/cif2bcif/index.js +8 -8
  20. package/lib/commonjs/cli/cifschema/index.js +27 -27
  21. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
  22. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  23. package/lib/commonjs/cli/state-docs/index.js +2 -2
  24. package/lib/commonjs/cli/structure-info/helpers.js +11 -11
  25. package/lib/commonjs/cli/structure-info/model.js +15 -15
  26. package/lib/commonjs/cli/structure-info/volume.js +9 -9
  27. package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
  28. package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
  29. package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
  30. package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
  31. package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
  32. package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
  33. package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
  34. package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
  35. package/lib/commonjs/examples/lighting/index.js +6 -6
  36. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
  37. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
  38. package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
  39. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
  40. package/lib/commonjs/examples/task.js +15 -15
  41. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
  42. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
  43. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
  44. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
  45. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
  46. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
  47. package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
  48. package/lib/commonjs/extensions/anvil/behavior.js +14 -14
  49. package/lib/commonjs/extensions/anvil/prop.js +7 -7
  50. package/lib/commonjs/extensions/anvil/representation.js +5 -5
  51. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  52. package/lib/commonjs/extensions/cellpack/model.js +26 -24
  53. package/lib/commonjs/extensions/cellpack/preset.js +6 -6
  54. package/lib/commonjs/extensions/cellpack/property.js +3 -3
  55. package/lib/commonjs/extensions/cellpack/representation.js +2 -2
  56. package/lib/commonjs/extensions/cellpack/state.js +13 -13
  57. package/lib/commonjs/extensions/cellpack/util.js +14 -14
  58. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  59. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +5 -5
  60. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
  61. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +1 -1
  62. package/lib/commonjs/extensions/g3d/data.js +6 -6
  63. package/lib/commonjs/extensions/g3d/format.js +14 -14
  64. package/lib/commonjs/extensions/g3d/model.js +4 -4
  65. package/lib/commonjs/extensions/geo-export/controls.js +3 -3
  66. package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
  67. package/lib/commonjs/extensions/geo-export/index.js +1 -1
  68. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
  69. package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
  70. package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
  71. package/lib/commonjs/extensions/geo-export/ui.js +7 -7
  72. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
  73. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
  74. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
  75. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
  76. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
  77. package/lib/commonjs/extensions/model-export/export.js +4 -4
  78. package/lib/commonjs/extensions/model-export/index.js +1 -1
  79. package/lib/commonjs/extensions/model-export/ui.js +5 -5
  80. package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
  81. package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
  82. package/lib/commonjs/extensions/mp4-export/index.js +1 -1
  83. package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
  84. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
  85. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
  86. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  87. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
  88. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
  89. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
  90. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
  91. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
  92. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
  93. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
  94. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
  95. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +3 -3
  96. package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
  97. package/lib/commonjs/extensions/zenodo/index.js +35 -0
  98. package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
  99. package/lib/commonjs/extensions/zenodo/ui.js +306 -0
  100. package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
  101. package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
  102. package/lib/commonjs/mol-canvas3d/camera.js +2 -1
  103. package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
  104. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  105. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
  106. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
  107. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
  108. package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
  109. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
  110. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  111. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
  112. package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
  113. package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
  114. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
  115. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
  116. package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
  117. package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
  118. package/lib/commonjs/mol-canvas3d/util.js +2 -2
  119. package/lib/commonjs/mol-data/db/column.js +2 -2
  120. package/lib/commonjs/mol-data/db/table.js +1 -1
  121. package/lib/commonjs/mol-data/db.js +1 -1
  122. package/lib/commonjs/mol-data/generic.js +3 -3
  123. package/lib/commonjs/mol-data/index.js +4 -4
  124. package/lib/commonjs/mol-data/int/interval.js +1 -1
  125. package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
  126. package/lib/commonjs/mol-data/int/segmentation.js +1 -1
  127. package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
  128. package/lib/commonjs/mol-data/util.js +7 -7
  129. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
  130. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
  131. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
  132. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
  133. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
  134. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
  135. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
  136. package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
  137. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
  138. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  139. package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
  140. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
  141. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +4 -4
  142. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
  143. package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
  144. package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
  145. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  146. package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
  147. package/lib/commonjs/mol-geo/primitive/star.js +1 -1
  148. package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
  149. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
  150. package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
  151. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
  152. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
  153. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
  154. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
  155. package/lib/commonjs/mol-gl/compute/util.js +3 -3
  156. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  157. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  158. package/lib/commonjs/mol-gl/renderable/image.js +3 -3
  159. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  160. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  161. package/lib/commonjs/mol-gl/renderable/points.js +3 -3
  162. package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
  163. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  164. package/lib/commonjs/mol-gl/renderable/text.js +3 -3
  165. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  166. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  167. package/lib/commonjs/mol-gl/shader-code.js +2 -1
  168. package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
  169. package/lib/commonjs/mol-gl/webgl/context.js +3 -3
  170. package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
  171. package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
  172. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
  173. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
  174. package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
  175. package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
  176. package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
  177. package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
  178. package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
  179. package/lib/commonjs/mol-io/common/typed-array.js +2 -2
  180. package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
  181. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
  182. package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
  183. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  184. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  185. package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
  186. package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
  187. package/lib/commonjs/mol-io/reader/cif.js +1 -1
  188. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
  189. package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
  190. package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
  191. package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
  192. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  193. package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
  194. package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
  195. package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
  196. package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
  197. package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
  198. package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
  199. package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
  200. package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
  201. package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
  202. package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
  203. package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
  204. package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
  205. package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
  206. package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
  207. package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
  208. package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
  209. package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
  210. package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
  211. package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
  212. package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
  213. package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
  214. package/lib/commonjs/mol-io/writer/cif.js +1 -1
  215. package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
  216. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  217. package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
  218. package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
  219. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +4 -4
  220. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
  221. package/lib/commonjs/mol-math/geometry/gaussian-density.js +4 -4
  222. package/lib/commonjs/mol-math/geometry/molecular-surface.js +8 -8
  223. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +1 -1
  224. package/lib/commonjs/mol-math/geometry.js +8 -8
  225. package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
  226. package/lib/commonjs/mol-math/graph.js +1 -1
  227. package/lib/commonjs/mol-math/linear-algebra.js +2 -2
  228. package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
  229. package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
  230. package/lib/commonjs/mol-model/sequence.js +1 -1
  231. package/lib/commonjs/mol-model/shape.js +1 -1
  232. package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
  233. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  234. package/lib/commonjs/mol-model/structure/model/model.js +3 -3
  235. package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
  236. package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
  237. package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
  238. package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
  239. package/lib/commonjs/mol-model/structure/model.js +3 -3
  240. package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
  241. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
  242. package/lib/commonjs/mol-model/structure/query.js +6 -6
  243. package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
  244. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  245. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
  246. package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
  247. package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
  248. package/lib/commonjs/mol-model/structure/structure/structure.js +5 -5
  249. package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
  250. package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
  251. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +3 -3
  252. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  253. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
  254. package/lib/commonjs/mol-model/structure/structure/unit.js +4 -4
  255. package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
  256. package/lib/commonjs/mol-model/structure/structure.js +2 -2
  257. package/lib/commonjs/mol-model/structure/topology.js +1 -1
  258. package/lib/commonjs/mol-model/structure.js +6 -6
  259. package/lib/commonjs/mol-model/volume.js +2 -2
  260. package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
  261. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
  262. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
  263. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  264. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  265. package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
  266. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
  267. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
  268. package/lib/commonjs/mol-model-formats/structure/basic/schema.js +7 -2
  269. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +2 -2
  270. package/lib/commonjs/mol-model-formats/structure/basic/util.d.ts +33 -2
  271. package/lib/commonjs/mol-model-formats/structure/basic/util.js +26 -2
  272. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  273. package/lib/commonjs/mol-model-formats/structure/common/component.js +5 -1
  274. package/lib/commonjs/mol-model-formats/structure/cube.js +5 -5
  275. package/lib/commonjs/mol-model-formats/structure/dcd.js +2 -2
  276. package/lib/commonjs/mol-model-formats/structure/gro.js +5 -3
  277. package/lib/commonjs/mol-model-formats/structure/mmcif.d.ts +1 -1
  278. package/lib/commonjs/mol-model-formats/structure/mmcif.js +4 -2
  279. package/lib/commonjs/mol-model-formats/structure/mol.js +5 -5
  280. package/lib/commonjs/mol-model-formats/structure/mol2.js +6 -6
  281. package/lib/commonjs/mol-model-formats/structure/nctraj.d.ts +9 -0
  282. package/lib/commonjs/mol-model-formats/structure/nctraj.js +60 -0
  283. package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +2 -2
  284. package/lib/commonjs/mol-model-formats/structure/pdb.d.ts +1 -1
  285. package/lib/commonjs/mol-model-formats/structure/pdb.js +7 -5
  286. package/lib/commonjs/mol-model-formats/structure/prmtop.d.ts +16 -0
  287. package/lib/commonjs/mol-model-formats/structure/prmtop.js +147 -0
  288. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  289. package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -1
  290. package/lib/commonjs/mol-model-formats/structure/psf.js +5 -3
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  680. package/lib/mol-model-formats/structure/gro.js +3 -1
  681. package/lib/mol-model-formats/structure/mmcif.d.ts +1 -1
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  685. package/lib/mol-model-formats/structure/nctraj.d.ts +9 -0
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  687. package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
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  689. package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
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  695. package/lib/mol-model-formats/structure/trr.d.ts +9 -0
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  762. package/lib/mol-script/language/parser.js +7 -4
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  767. package/lib/mol-util/file-info.d.ts +1 -3
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  769. package/lib/mol-util/index.d.ts +1 -0
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  772. package/lib/mol-util/zip/zip.d.ts +7 -1
  773. package/lib/mol-util/zip/zip.js +5 -1
  774. package/lib/servers/model/config.d.ts +2 -2
  775. package/package.json +16 -16
  776. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
  777. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -26,7 +26,7 @@ exports.RCSBAssemblySymmetry = behavior_1.PluginBehavior.create({
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  description: 'Assembly Symmetry data calculated with BioJava, obtained via RCSB PDB.'
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  },
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  ctor: /** @class */ (function (_super) {
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- (0, tslib_1.__extends)(class_1, _super);
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+ tslib_1.__extends(class_1, _super);
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  function class_1() {
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  var _this = _super !== null && _super.apply(this, arguments) || this;
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  _this.provider = prop_1.AssemblySymmetryProvider;
@@ -80,9 +80,9 @@ exports.InitAssemblySymmetry3D = mol_state_1.StateAction.build({
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  isApplicable: function (a) { return prop_1.AssemblySymmetry.isApplicable(a.data); }
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  })(function (_a, plugin) {
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  var a = _a.a, ref = _a.ref, state = _a.state;
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- return mol_task_1.Task.create('Init Assembly Symmetry', function (ctx) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
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+ return mol_task_1.Task.create('Init Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
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  var propCtx, assemblySymmetryData, symmetryIndex, e_1, tree;
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- return (0, tslib_1.__generator)(this, function (_a) {
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+ return tslib_1.__generator(this, function (_a) {
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  switch (_a.label) {
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  case 0:
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  _a.trys.push([0, 3, , 4]);
@@ -120,7 +120,7 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
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  from: objects_1.PluginStateObject.Molecule.Structure,
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  to: objects_1.PluginStateObject.Shape.Representation3D,
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  params: function (a) {
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- return (0, tslib_1.__assign)({}, representation_1.AssemblySymmetryParams);
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+ return tslib_1.__assign({}, representation_1.AssemblySymmetryParams);
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  }
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  })({
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  canAutoUpdate: function (_a) {
@@ -130,10 +130,10 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
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  apply: function (_a, plugin) {
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  var _this = this;
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  var a = _a.a, params = _a.params;
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- return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
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+ return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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  var assemblySymmetry, repr, type, kind, symbol;
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  var _a;
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- return (0, tslib_1.__generator)(this, function (_b) {
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+ return tslib_1.__generator(this, function (_b) {
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  switch (_b.label) {
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  case 0: return [4 /*yield*/, prop_1.AssemblySymmetryProvider.attach({ runtime: ctx, assetManager: plugin.managers.asset }, a.data)];
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  case 1:
@@ -142,7 +142,7 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
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  if (!assemblySymmetry || assemblySymmetry.symbol === 'C1') {
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  return [2 /*return*/, mol_state_1.StateObject.Null];
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  }
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- repr = (0, representation_1.AssemblySymmetryRepresentation)((0, tslib_1.__assign)({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return representation_1.AssemblySymmetryParams; });
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+ repr = (0, representation_1.AssemblySymmetryRepresentation)(tslib_1.__assign({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return representation_1.AssemblySymmetryParams; });
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  return [4 /*yield*/, repr.createOrUpdate(params, a.data).runInContext(ctx)];
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  case 2:
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  _b.sent();
@@ -155,9 +155,9 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
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  update: function (_a, plugin) {
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  var _this = this;
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  var a = _a.a, b = _a.b, newParams = _a.newParams;
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- return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
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+ return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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  var assemblySymmetry, props, type, kind, symbol;
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- return (0, tslib_1.__generator)(this, function (_a) {
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+ return tslib_1.__generator(this, function (_a) {
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  switch (_a.label) {
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  case 0: return [4 /*yield*/, prop_1.AssemblySymmetryProvider.attach({ runtime: ctx, assetManager: plugin.managers.asset }, a.data)];
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  case 1:
@@ -168,7 +168,7 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
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  // because that keeps the old object
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  return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Recreate];
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  }
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- props = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, b.data.repr.props), newParams);
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+ props = tslib_1.__assign(tslib_1.__assign({}, b.data.repr.props), newParams);
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  return [4 /*yield*/, b.data.repr.createOrUpdate(props, a.data).runInContext(ctx)];
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  case 2:
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  _a.sent();
@@ -187,7 +187,7 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
187
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  });
188
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  exports.AssemblySymmetry3D = AssemblySymmetry3D;
189
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  //
190
- exports.AssemblySymmetryPresetParams = (0, tslib_1.__assign)({}, representation_preset_1.StructureRepresentationPresetProvider.CommonParams);
190
+ exports.AssemblySymmetryPresetParams = tslib_1.__assign({}, representation_preset_1.StructureRepresentationPresetProvider.CommonParams);
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  exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresentationPresetProvider)({
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  id: 'preset-structure-representation-rcsb-assembly-symmetry',
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  display: {
@@ -200,10 +200,10 @@ exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresenta
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  params: function () { return exports.AssemblySymmetryPresetParams; },
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  apply: function (ref, params, plugin) {
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  var _a;
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- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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  var structureCell, structure, assemblySymmetry, colorTheme, preset;
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  var _this = this;
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- return (0, tslib_1.__generator)(this, function (_b) {
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+ return tslib_1.__generator(this, function (_b) {
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  switch (_b.label) {
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  case 0:
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  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -211,9 +211,9 @@ exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresenta
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  if (!structureCell || !structure)
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  return [2 /*return*/, {}];
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  if (!!prop_1.AssemblySymmetryDataProvider.get(structure).value) return [3 /*break*/, 2];
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- return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Assembly Symmetry', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
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+ return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Assembly Symmetry', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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  var propCtx, assemblySymmetryData, symmetryIndex;
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- return (0, tslib_1.__generator)(this, function (_a) {
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+ return tslib_1.__generator(this, function (_a) {
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  switch (_a.label) {
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  case 0:
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219
  propCtx = { runtime: runtime, assetManager: plugin.managers.asset };
@@ -236,10 +236,10 @@ exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresenta
236
236
  case 3:
237
237
  assemblySymmetry = _b.sent();
238
238
  colorTheme = assemblySymmetry.isOk ? Tag.Cluster : undefined;
239
- 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)];
239
+ return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
240
240
  case 4:
241
241
  preset = _b.sent();
242
- return [2 /*return*/, { components: preset.components, representations: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, preset.representations), { assemblySymmetry: assemblySymmetry }) }];
242
+ return [2 /*return*/, { components: preset.components, representations: tslib_1.__assign(tslib_1.__assign({}, preset.representations), { assemblySymmetry: assemblySymmetry }) }];
243
243
  }
244
244
  });
245
245
  });
@@ -25,7 +25,7 @@ function getAsymId(unit) {
25
25
  function clusterMemberKey(asymId, operList) {
26
26
  return "".concat(asymId, "-").concat(operList.join('|'));
27
27
  }
28
- exports.AssemblySymmetryClusterColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ colorList: 'red-yellow-blue' }));
28
+ exports.AssemblySymmetryClusterColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ colorList: 'red-yellow-blue' }));
29
29
  function getAssemblySymmetryClusterColorThemeParams(ctx) {
30
30
  var params = param_definition_1.ParamDefinition.clone(exports.AssemblySymmetryClusterColorThemeParams);
31
31
  return params;
@@ -45,7 +45,7 @@ function AssemblySymmetryClusterColorTheme(ctx, props) {
45
45
  var members = clusters[i].members;
46
46
  for (var j = 0, jl = members.length; j < jl; ++j) {
47
47
  var asymId = members[j].asym_id;
48
- var operList = (0, tslib_1.__spreadArray)([], members[j].pdbx_struct_oper_list_ids || [], true);
48
+ var operList = tslib_1.__spreadArray([], members[j].pdbx_struct_oper_list_ids || [], true);
49
49
  clusterByMember_1.set(clusterMemberKey(asymId, operList), i);
50
50
  if (operList.length === 0) {
51
51
  operList.push('1'); // TODO hack assuming '1' is the id of the identity operator
@@ -59,9 +59,9 @@ var AssemblySymmetry;
59
59
  AssemblySymmetry.isApplicable = isApplicable;
60
60
  function fetch(ctx, structure, props) {
61
61
  var _a, _b;
62
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
62
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
63
63
  var client, variables, result, value;
64
- return (0, tslib_1.__generator)(this, function (_c) {
64
+ return tslib_1.__generator(this, function (_c) {
65
65
  switch (_c.label) {
66
66
  case 0:
67
67
  if (!isApplicable(structure))
@@ -172,12 +172,12 @@ exports.AssemblySymmetryDataProvider = custom_structure_property_1.CustomStructu
172
172
  defaultParams: exports.AssemblySymmetryDataParams,
173
173
  getParams: function (data) { return exports.AssemblySymmetryDataParams; },
174
174
  isApplicable: function (data) { return AssemblySymmetry.isApplicable(data); },
175
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
175
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
176
176
  var p;
177
- return (0, tslib_1.__generator)(this, function (_a) {
177
+ return tslib_1.__generator(this, function (_a) {
178
178
  switch (_a.label) {
179
179
  case 0:
180
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.AssemblySymmetryDataParams)), props);
180
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.AssemblySymmetryDataParams)), props);
181
181
  return [4 /*yield*/, AssemblySymmetry.fetch(ctx, data, p)];
182
182
  case 1: return [2 /*return*/, _a.sent()];
183
183
  }
@@ -186,7 +186,7 @@ exports.AssemblySymmetryDataProvider = custom_structure_property_1.CustomStructu
186
186
  });
187
187
  //
188
188
  function getAssemblySymmetryParams(data) {
189
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.AssemblySymmetryDataParams), { symmetryIndex: getSymmetrySelectParam(data) });
189
+ return tslib_1.__assign(tslib_1.__assign({}, exports.AssemblySymmetryDataParams), { symmetryIndex: getSymmetrySelectParam(data) });
190
190
  }
191
191
  exports.AssemblySymmetryParams = getAssemblySymmetryParams();
192
192
  exports.AssemblySymmetryProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
@@ -199,12 +199,12 @@ exports.AssemblySymmetryProvider = custom_structure_property_1.CustomStructurePr
199
199
  defaultParams: exports.AssemblySymmetryParams,
200
200
  getParams: getAssemblySymmetryParams,
201
201
  isApplicable: function (data) { return AssemblySymmetry.isApplicable(data); },
202
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
202
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
203
203
  var p, assemblySymmetryData, assemblySymmetry;
204
- return (0, tslib_1.__generator)(this, function (_a) {
204
+ return tslib_1.__generator(this, function (_a) {
205
205
  switch (_a.label) {
206
206
  case 0:
207
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(getAssemblySymmetryParams(data))), props);
207
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(getAssemblySymmetryParams(data))), props);
208
208
  return [4 /*yield*/, exports.AssemblySymmetryDataProvider.attach(ctx, data, p)];
209
209
  case 1:
210
210
  _a.sent();
@@ -46,20 +46,20 @@ function axesColorHelp(value) {
46
46
  ? { description: 'Color axes by their order', legend: OrderColorsLegend }
47
47
  : {};
48
48
  }
49
- var SharedParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, mesh_1.Mesh.Params), { scale: param_definition_1.ParamDefinition.Numeric(2, { min: 0.1, max: 5, step: 0.1 }) });
50
- var AxesParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, SharedParams), { axesColor: param_definition_1.ParamDefinition.MappedStatic('byOrder', {
49
+ var SharedParams = tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params), { scale: param_definition_1.ParamDefinition.Numeric(2, { min: 0.1, max: 5, step: 0.1 }) });
50
+ var AxesParams = tslib_1.__assign(tslib_1.__assign({}, SharedParams), { axesColor: param_definition_1.ParamDefinition.MappedStatic('byOrder', {
51
51
  byOrder: param_definition_1.ParamDefinition.EmptyGroup(),
52
52
  uniform: param_definition_1.ParamDefinition.Group({
53
53
  colorValue: param_definition_1.ParamDefinition.Color(names_1.ColorNames.orange),
54
54
  }, { isFlat: true })
55
55
  }, { help: axesColorHelp }) });
56
- var CageParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, SharedParams), { cageColor: param_definition_1.ParamDefinition.Color(names_1.ColorNames.orange) });
56
+ var CageParams = tslib_1.__assign(tslib_1.__assign({}, SharedParams), { cageColor: param_definition_1.ParamDefinition.Color(names_1.ColorNames.orange) });
57
57
  var AssemblySymmetryVisuals = {
58
58
  // cage should come before 'axes' so that the representative loci uses the cage shape
59
- 'cage': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getCageShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
60
- 'axes': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getAxesShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
59
+ 'cage': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getCageShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
60
+ 'axes': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getAxesShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
61
61
  };
62
- exports.AssemblySymmetryParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, AxesParams), CageParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['axes', 'cage'], param_definition_1.ParamDefinition.objectToOptions(AssemblySymmetryVisuals)) });
62
+ exports.AssemblySymmetryParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, AxesParams), CageParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['axes', 'cage'], param_definition_1.ParamDefinition.objectToOptions(AssemblySymmetryVisuals)) });
63
63
  //
64
64
  function getAssemblyName(s) {
65
65
  var _a;
@@ -20,7 +20,7 @@ var objects_1 = require("../../../mol-plugin-state/objects");
20
20
  var mol_task_1 = require("../../../mol-task");
21
21
  var icons_1 = require("../../../mol-plugin-ui/controls/icons");
22
22
  var AssemblySymmetryControls = /** @class */ (function (_super) {
23
- (0, tslib_1.__extends)(AssemblySymmetryControls, _super);
23
+ tslib_1.__extends(AssemblySymmetryControls, _super);
24
24
  function AssemblySymmetryControls() {
25
25
  var _this = _super !== null && _super.apply(this, arguments) || this;
26
26
  _this.paramsOnChange = function (options) {
@@ -72,10 +72,10 @@ var AssemblySymmetryControls = /** @class */ (function (_super) {
72
72
  var pivot = this.pivot;
73
73
  if (!pivot.cell.parent)
74
74
  return null;
75
- return (0, jsx_runtime_1.jsx)(apply_action_1.ApplyActionControl, { state: pivot.cell.parent, action: EnableAssemblySymmetry3D, initiallyCollapsed: true, nodeRef: pivot.cell.transform.ref, simpleApply: { header: 'Enable', icon: icons_1.CheckSvg } }, void 0);
75
+ return (0, jsx_runtime_1.jsx)(apply_action_1.ApplyActionControl, { state: pivot.cell.parent, action: EnableAssemblySymmetry3D, initiallyCollapsed: true, nodeRef: pivot.cell.transform.ref, simpleApply: { header: 'Enable', icon: icons_1.CheckSvg } });
76
76
  };
77
77
  AssemblySymmetryControls.prototype.renderNoSymmetries = function () {
78
- return (0, jsx_runtime_1.jsx)("div", (0, tslib_1.__assign)({ className: 'msp-row-text' }, { children: (0, jsx_runtime_1.jsx)("div", { children: "No Symmetries for Assembly" }, void 0) }), void 0);
78
+ return (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-row-text' }, { children: (0, jsx_runtime_1.jsx)("div", { children: "No Symmetries for Assembly" }) }));
79
79
  };
80
80
  Object.defineProperty(AssemblySymmetryControls.prototype, "params", {
81
81
  get: function () {
@@ -96,7 +96,7 @@ var AssemblySymmetryControls = /** @class */ (function (_super) {
96
96
  return prop_1.AssemblySymmetryProvider.props(structure);
97
97
  }
98
98
  else {
99
- return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(prop_1.AssemblySymmetryProvider.defaultParams)), { symmetryIndex: -1 });
99
+ return tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(prop_1.AssemblySymmetryProvider.defaultParams)), { symmetryIndex: -1 });
100
100
  }
101
101
  },
102
102
  enumerable: false,
@@ -104,9 +104,9 @@ var AssemblySymmetryControls = /** @class */ (function (_super) {
104
104
  });
105
105
  AssemblySymmetryControls.prototype.updateAssemblySymmetry = function (values) {
106
106
  var _a, _b, _c, _d;
107
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
107
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
108
108
  var s, currValues, b, pd, params, _i, _e, components, name_1;
109
- return (0, tslib_1.__generator)(this, function (_f) {
109
+ return tslib_1.__generator(this, function (_f) {
110
110
  switch (_f.label) {
111
111
  case 0:
112
112
  s = this.pivot;
@@ -183,7 +183,7 @@ var AssemblySymmetryControls = /** @class */ (function (_super) {
183
183
  configurable: true
184
184
  });
185
185
  AssemblySymmetryControls.prototype.renderParams = function () {
186
- return (0, jsx_runtime_1.jsx)(jsx_runtime_1.Fragment, { children: (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: this.params, values: this.values, onChangeValues: this.paramsOnChange }, void 0) }, void 0);
186
+ return (0, jsx_runtime_1.jsx)(jsx_runtime_1.Fragment, { children: (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: this.params, values: this.values, onChangeValues: this.paramsOnChange }) });
187
187
  };
188
188
  AssemblySymmetryControls.prototype.renderControls = function () {
189
189
  if (!this.pivot)
@@ -201,8 +201,8 @@ var EnableAssemblySymmetry3D = mol_state_1.StateAction.build({
201
201
  from: objects_1.PluginStateObject.Molecule.Structure,
202
202
  })(function (_a, plugin) {
203
203
  var a = _a.a, ref = _a.ref, state = _a.state;
204
- return mol_task_1.Task.create('Enable Assembly Symmetry', function (ctx) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
205
- return (0, tslib_1.__generator)(this, function (_a) {
204
+ return mol_task_1.Task.create('Enable Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
205
+ return tslib_1.__generator(this, function (_a) {
206
206
  switch (_a.label) {
207
207
  case 0: return [4 /*yield*/, behavior_1.AssemblySymmetryPreset.apply(ref, Object.create(null), plugin)];
208
208
  case 1:
@@ -31,7 +31,7 @@ exports.RCSBValidationReport = behavior_1.PluginBehavior.create({
31
31
  description: 'Data from wwPDB Validation Report, obtained via RCSB PDB.'
32
32
  },
33
33
  ctor: /** @class */ (function (_super) {
34
- (0, tslib_1.__extends)(class_1, _super);
34
+ tslib_1.__extends(class_1, _super);
35
35
  function class_1() {
36
36
  var _this = _super !== null && _super.apply(this, arguments) || this;
37
37
  _this.provider = prop_1.ValidationReportProvider;
@@ -291,18 +291,18 @@ exports.ValidationReportGeometryQualityPreset = (0, representation_preset_1.Stru
291
291
  params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
292
292
  apply: function (ref, params, plugin) {
293
293
  var _a;
294
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
294
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
295
295
  var structureCell, structure, colorTheme, _b, components, representations, clashes, _c, update, builder, typeParams, color, clashesBallAndStick, clashesRepr;
296
296
  var _this = this;
297
- return (0, tslib_1.__generator)(this, function (_d) {
297
+ return tslib_1.__generator(this, function (_d) {
298
298
  switch (_d.label) {
299
299
  case 0:
300
300
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
301
301
  structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
302
302
  if (!structureCell || !structure)
303
303
  return [2 /*return*/, {}];
304
- return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
305
- return (0, tslib_1.__generator)(this, function (_a) {
304
+ return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
305
+ return tslib_1.__generator(this, function (_a) {
306
306
  switch (_a.label) {
307
307
  case 0: return [4 /*yield*/, prop_1.ValidationReportProvider.attach({ runtime: runtime, assetManager: plugin.managers.asset }, structure.models[0])];
308
308
  case 1:
@@ -314,7 +314,7 @@ exports.ValidationReportGeometryQualityPreset = (0, representation_preset_1.Stru
314
314
  case 1:
315
315
  _d.sent();
316
316
  colorTheme = geometry_quality_1.GeometryQualityColorThemeProvider.name;
317
- 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)];
317
+ return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
318
318
  case 2:
319
319
  _b = _d.sent(), components = _b.components, representations = _b.representations;
320
320
  return [4 /*yield*/, plugin.builders.structure.tryCreateComponentFromExpression(structureCell, hasClash.expression, 'clashes', { label: 'Clashes' })];
@@ -328,7 +328,7 @@ exports.ValidationReportGeometryQualityPreset = (0, representation_preset_1.Stru
328
328
  return [4 /*yield*/, update.commit({ revertOnError: true })];
329
329
  case 4:
330
330
  _d.sent();
331
- return [2 /*return*/, { components: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, components), { clashes: clashes }), representations: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, representations), { clashesBallAndStick: clashesBallAndStick, clashesRepr: clashesRepr }) }];
331
+ return [2 /*return*/, { components: tslib_1.__assign(tslib_1.__assign({}, components), { clashes: clashes }), representations: tslib_1.__assign(tslib_1.__assign({}, representations), { clashesBallAndStick: clashesBallAndStick, clashesRepr: clashesRepr }) }];
332
332
  }
333
333
  });
334
334
  });
@@ -346,18 +346,18 @@ exports.ValidationReportDensityFitPreset = (0, representation_preset_1.Structure
346
346
  params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
347
347
  apply: function (ref, params, plugin) {
348
348
  var _a;
349
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
349
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
350
350
  var structureCell, structure, colorTheme;
351
351
  var _this = this;
352
- return (0, tslib_1.__generator)(this, function (_b) {
352
+ return tslib_1.__generator(this, function (_b) {
353
353
  switch (_b.label) {
354
354
  case 0:
355
355
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
356
356
  structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
357
357
  if (!structureCell || !structure)
358
358
  return [2 /*return*/, {}];
359
- return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
360
- return (0, tslib_1.__generator)(this, function (_a) {
359
+ return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
360
+ return tslib_1.__generator(this, function (_a) {
361
361
  switch (_a.label) {
362
362
  case 0: return [4 /*yield*/, prop_1.ValidationReportProvider.attach({ runtime: runtime, assetManager: plugin.managers.asset }, structure.models[0])];
363
363
  case 1:
@@ -369,7 +369,7 @@ exports.ValidationReportDensityFitPreset = (0, representation_preset_1.Structure
369
369
  case 1:
370
370
  _b.sent();
371
371
  colorTheme = density_fit_1.DensityFitColorThemeProvider.name;
372
- 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)];
372
+ return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
373
373
  case 2: return [2 /*return*/, _b.sent()];
374
374
  }
375
375
  });
@@ -388,18 +388,18 @@ exports.ValidationReportRandomCoilIndexPreset = (0, representation_preset_1.Stru
388
388
  params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
389
389
  apply: function (ref, params, plugin) {
390
390
  var _a;
391
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
391
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
392
392
  var structureCell, structure, colorTheme;
393
393
  var _this = this;
394
- return (0, tslib_1.__generator)(this, function (_b) {
394
+ return tslib_1.__generator(this, function (_b) {
395
395
  switch (_b.label) {
396
396
  case 0:
397
397
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
398
398
  structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
399
399
  if (!structureCell || !structure)
400
400
  return [2 /*return*/, {}];
401
- return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
402
- return (0, tslib_1.__generator)(this, function (_a) {
401
+ return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
402
+ return tslib_1.__generator(this, function (_a) {
403
403
  switch (_a.label) {
404
404
  case 0: return [4 /*yield*/, prop_1.ValidationReportProvider.attach({ runtime: runtime, assetManager: plugin.managers.asset }, structure.models[0])];
405
405
  case 1:
@@ -411,7 +411,7 @@ exports.ValidationReportRandomCoilIndexPreset = (0, representation_preset_1.Stru
411
411
  case 1:
412
412
  _b.sent();
413
413
  colorTheme = random_coil_index_1.RandomCoilIndexColorThemeProvider.name;
414
- 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)];
414
+ return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
415
415
  case 2: return [2 /*return*/, _b.sent()];
416
416
  }
417
417
  });
@@ -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');
@@ -55,7 +55,7 @@ function createIntraUnitClashCylinderMesh(ctx, unit, structure, theme, props, me
55
55
  }
56
56
  return m;
57
57
  }
58
- 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 }) });
59
59
  function IntraUnitClashVisual(materialId) {
60
60
  return (0, units_visual_1.UnitsMeshVisual)({
61
61
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IntraUnitClashParams),
@@ -156,7 +156,7 @@ function createInterUnitClashCylinderMesh(ctx, structure, theme, props, mesh) {
156
156
  }
157
157
  return m;
158
158
  }
159
- 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 }) });
160
160
  function InterUnitClashVisual(materialId) {
161
161
  return (0, complex_visual_1.ComplexMeshVisual)({
162
162
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.InterUnitClashParams),
@@ -231,7 +231,7 @@ var ClashesVisuals = {
231
231
  'intra-clash': function (ctx, getParams) { return (0, representation_2.UnitsRepresentation)('Intra-unit clash cylinder', ctx, getParams, IntraUnitClashVisual); },
232
232
  'inter-clash': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Inter-unit clash cylinder', ctx, getParams, InterUnitClashVisual); },
233
233
  };
234
- 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)) });
235
235
  function getClashesParams(ctx, structure) {
236
236
  return param_definition_1.ParamDefinition.clone(exports.ClashesParams);
237
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
+ });