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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  650. package/lib/mol-io/common/io-buffer.d.ts +206 -0
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  653. package/lib/mol-io/common/netcdf/reader.js +456 -0
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  655. package/lib/mol-io/reader/nctraj/parser.d.ts +18 -0
  656. package/lib/mol-io/reader/nctraj/parser.js +97 -0
  657. package/lib/mol-io/reader/prmtop/parser.d.ts +58 -0
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  663. package/lib/mol-io/writer/cif/encoder.js +2 -1
  664. package/lib/mol-model/sequence/sequence.js +2 -1
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  676. package/lib/mol-model-formats/structure/basic/util.js +24 -1
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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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  686. package/lib/mol-model-formats/structure/nctraj.js +56 -0
  687. package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
  688. package/lib/mol-model-formats/structure/pdb.js +5 -3
  689. package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
  690. package/lib/mol-model-formats/structure/prmtop.js +144 -0
  691. package/lib/mol-model-formats/structure/property/symmetry.js +11 -1
  692. package/lib/mol-model-formats/structure/psf.js +3 -1
  693. package/lib/mol-model-formats/structure/top.d.ts +16 -0
  694. package/lib/mol-model-formats/structure/top.js +186 -0
  695. package/lib/mol-model-formats/structure/trr.d.ts +9 -0
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  767. package/lib/mol-util/file-info.d.ts +1 -3
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  769. package/lib/mol-util/index.d.ts +1 -0
  770. package/lib/mol-util/index.js +5 -0
  771. package/lib/mol-util/zip/deflate.js +2 -1
  772. package/lib/mol-util/zip/zip.d.ts +7 -1
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  774. package/lib/servers/model/config.d.ts +2 -2
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  777. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -17,7 +17,7 @@ var v3transformMat4 = linear_algebra_1.Vec3.transformMat4;
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@@ -30,9 +30,9 @@ var StlExporter = /** @class */ (function (_super) {
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+ return tslib_1.__awaiter(this, void 0, void 0, function () {
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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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@@ -95,9 +95,9 @@ var StlExporter = /** @class */ (function (_super) {
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+ return tslib_1.__generator(this, function (_b) {
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@@ -113,9 +113,9 @@ var StlExporter = /** @class */ (function (_super) {
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+ return tslib_1.__generator(this, function (_b) {
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@@ -16,12 +16,12 @@ var parameters_1 = require("../../mol-plugin-ui/controls/parameters");
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@@ -42,9 +42,9 @@ var GeometryExporterUI = /** @class */ (function (_super) {
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@@ -94,8 +94,8 @@ var GeometryExporterUI = /** @class */ (function (_super) {
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+ return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: controls_1.GeometryParams, values: ctrl.behaviors.params.value, onChangeValues: function (xs) { return ctrl.behaviors.params.next(xs); }, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ icon: icons_1.GetAppSvg, onClick: this.save, style: { marginTop: 1 }, disabled: this.state.busy || !((_c = this.plugin.canvas3d) === null || _c === void 0 ? void 0 : _c.reprCount.value) }, { children: "Save" })), this.isARSupported && ctrl.behaviors.params.value.format === 'usdz' &&
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+ (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ icon: icons_1.CubeScanSvg, onClick: this.viewInAR, style: { marginTop: 1 }, disabled: this.state.busy || !((_d = this.plugin.canvas3d) === null || _d === void 0 ? void 0 : _d.reprCount.value) }, { children: "View in AR" }))] });
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@@ -21,7 +21,7 @@ var v3transformMat4 = linear_algebra_1.Vec3.transformMat4;
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27
  _this.fileExtension = 'usdz';
@@ -47,9 +47,9 @@ var UsdzExporter = /** @class */ (function (_super) {
47
47
  return materialKey;
48
48
  };
49
49
  UsdzExporter.prototype.addMeshWithColors = function (input) {
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 mesh, values, isGeoTexture, webgl, ctx, t, n, tmpV, stride, colorType, overpaintType, transparencyType, uAlpha, aTransform, instanceCount, metalness, roughness, interpolatedColors, interpolatedOverpaint, stride_1, interpolatedTransparency, stride_2, _loop_1, this_1, instanceIndex;
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
  mesh = input.mesh, values = input.values, isGeoTexture = input.isGeoTexture, webgl = input.webgl, ctx = input.ctx;
@@ -81,7 +81,7 @@ var UsdzExporter = /** @class */ (function (_super) {
81
81
  _a.sent();
82
82
  _loop_1 = function (instanceIndex) {
83
83
  var _b, vertices, normals, indices, groups, vertexCount, drawCount, vertexBuilder, normalBuilder, indexBuilder, i, i, geoData, i, v, quantizedColors, i, v, color, faceIndicesByMaterial, i, color, transparency, alpha, materialKey, faceIndices, materialBinding, materialKey, geomSubsets_1;
84
- return (0, tslib_1.__generator)(this, function (_c) {
84
+ return tslib_1.__generator(this, function (_c) {
85
85
  switch (_c.label) {
86
86
  case 0:
87
87
  if (!ctx.shouldUpdate) return [3 /*break*/, 2];
@@ -182,14 +182,14 @@ var UsdzExporter = /** @class */ (function (_super) {
182
182
  });
183
183
  };
184
184
  UsdzExporter.prototype.getData = function (ctx) {
185
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
185
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
186
186
  var header, usda, usdaData, zipDataObj;
187
187
  var _a, _b;
188
- return (0, tslib_1.__generator)(this, function (_c) {
188
+ return tslib_1.__generator(this, function (_c) {
189
189
  switch (_c.label) {
190
190
  case 0:
191
191
  header = "#usda 1.0\n(\n customLayerData = {\n string creator = \"Mol* ".concat(version_1.PLUGIN_VERSION, "\"\n }\n metersPerUnit = 1\n)\n");
192
- usda = (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([header], this.materials, true), this.meshes, true).join('');
192
+ usda = tslib_1.__spreadArray(tslib_1.__spreadArray([header], this.materials, true), this.meshes, true).join('');
193
193
  usdaData = new Uint8Array(usda.length);
194
194
  (0, ascii_1.asciiWrite)(usdaData, usda);
195
195
  zipDataObj = (_a = {},
@@ -204,9 +204,9 @@ var UsdzExporter = /** @class */ (function (_super) {
204
204
  });
205
205
  };
206
206
  UsdzExporter.prototype.getBlob = function (ctx) {
207
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
207
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
208
208
  var usdz;
209
- return (0, tslib_1.__generator)(this, function (_a) {
209
+ return tslib_1.__generator(this, function (_a) {
210
210
  switch (_a.label) {
211
211
  case 0: return [4 /*yield*/, this.getData(ctx)];
212
212
  case 1:
@@ -27,7 +27,7 @@ exports.MAQualityAssessment = behavior_1.PluginBehavior.create({
27
27
  description: 'Data included in Model Archive files.'
28
28
  },
29
29
  ctor: /** @class */ (function (_super) {
30
- (0, tslib_1.__extends)(class_1, _super);
30
+ tslib_1.__extends(class_1, _super);
31
31
  function class_1() {
32
32
  var _this = _super !== null && _super.apply(this, arguments) || this;
33
33
  _this.provider = prop_1.QualityAssessmentProvider;
@@ -152,9 +152,9 @@ var confidentPLDDT = (0, structure_selection_query_1.StructureSelectionQuery)('C
152
152
  ]), {
153
153
  description: 'Select residues with a pLDDT > 70 (confident).',
154
154
  category: structure_selection_query_1.StructureSelectionCategory.Validation,
155
- ensureCustomProperties: function (ctx, structure) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
155
+ ensureCustomProperties: function (ctx, structure) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
156
156
  var _i, _a, m;
157
- return (0, tslib_1.__generator)(this, function (_b) {
157
+ return tslib_1.__generator(this, function (_b) {
158
158
  switch (_b.label) {
159
159
  case 0:
160
160
  _i = 0, _a = structure.models;
@@ -187,9 +187,9 @@ exports.QualityAssessmentPLDDTPreset = (0, representation_preset_1.StructureRepr
187
187
  params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
188
188
  apply: function (ref, params, plugin) {
189
189
  var _a;
190
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
190
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
191
191
  var structureCell, structure, colorTheme;
192
- return (0, tslib_1.__generator)(this, function (_b) {
192
+ return tslib_1.__generator(this, function (_b) {
193
193
  switch (_b.label) {
194
194
  case 0:
195
195
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -197,7 +197,7 @@ exports.QualityAssessmentPLDDTPreset = (0, representation_preset_1.StructureRepr
197
197
  if (!structureCell || !structure)
198
198
  return [2 /*return*/, {}];
199
199
  colorTheme = plddt_1.PLDDTConfidenceColorThemeProvider.name;
200
- 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)];
200
+ return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
201
201
  case 1: return [2 /*return*/, _b.sent()];
202
202
  }
203
203
  });
@@ -216,9 +216,9 @@ exports.QualityAssessmentQmeanPreset = (0, representation_preset_1.StructureRepr
216
216
  params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
217
217
  apply: function (ref, params, plugin) {
218
218
  var _a;
219
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
219
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
220
220
  var structureCell, structure, colorTheme;
221
- return (0, tslib_1.__generator)(this, function (_b) {
221
+ return tslib_1.__generator(this, function (_b) {
222
222
  switch (_b.label) {
223
223
  case 0:
224
224
  structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
@@ -226,7 +226,7 @@ exports.QualityAssessmentQmeanPreset = (0, representation_preset_1.StructureRepr
226
226
  if (!structureCell || !structure)
227
227
  return [2 /*return*/, {}];
228
228
  colorTheme = qmean_1.QmeanScoreColorThemeProvider.name;
229
- 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)];
229
+ return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
230
230
  case 1: return [2 /*return*/, _b.sent()];
231
231
  }
232
232
  });
@@ -86,9 +86,9 @@ exports.PLDDTConfidenceColorThemeProvider = {
86
86
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(getPLDDTConfidenceColorThemeParams({})),
87
87
  isApplicable: function (ctx) { var _a; return !!((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'pLDDT'); })); },
88
88
  ensureCustomProperties: {
89
- attach: function (ctx, data) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
89
+ attach: function (ctx, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
90
90
  var _i, _a, m;
91
- return (0, tslib_1.__generator)(this, function (_b) {
91
+ return tslib_1.__generator(this, function (_b) {
92
92
  switch (_b.label) {
93
93
  case 0:
94
94
  if (!data.structure) return [3 /*break*/, 4];
@@ -108,9 +108,9 @@ exports.PLDDTConfidenceColorThemeProvider = {
108
108
  }
109
109
  });
110
110
  }); },
111
- detach: function (data) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
111
+ detach: function (data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
112
112
  var _i, _a, m;
113
- return (0, tslib_1.__generator)(this, function (_b) {
113
+ return tslib_1.__generator(this, function (_b) {
114
114
  if (data.structure) {
115
115
  for (_i = 0, _a = data.structure.models; _i < _a.length; _i++) {
116
116
  m = _a[_i];
@@ -72,9 +72,9 @@ exports.QmeanScoreColorThemeProvider = {
72
72
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(getQmeanScoreColorThemeParams({})),
73
73
  isApplicable: function (ctx) { var _a; return !!((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'qmean'); })); },
74
74
  ensureCustomProperties: {
75
- attach: function (ctx, data) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
75
+ attach: function (ctx, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
76
76
  var _i, _a, m;
77
- return (0, tslib_1.__generator)(this, function (_b) {
77
+ return tslib_1.__generator(this, function (_b) {
78
78
  switch (_b.label) {
79
79
  case 0:
80
80
  if (!data.structure) return [3 /*break*/, 4];
@@ -94,9 +94,9 @@ exports.QmeanScoreColorThemeProvider = {
94
94
  }
95
95
  });
96
96
  }); },
97
- detach: function (data) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
97
+ detach: function (data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
98
98
  var _i, _a, m;
99
- return (0, tslib_1.__generator)(this, function (_b) {
99
+ return tslib_1.__generator(this, function (_b) {
100
100
  if (data.structure) {
101
101
  for (_i = 0, _a = data.structure.models; _i < _a.length; _i++) {
102
102
  m = _a[_i];
@@ -43,9 +43,9 @@ var QualityAssessment;
43
43
  }
44
44
  QualityAssessment.isApplicable = isApplicable;
45
45
  function obtain(ctx, model, props) {
46
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
46
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
47
47
  var _a, ma_qa_metric, ma_qa_metric_local, model_id, label_asym_id, label_seq_id, metric_id, metric_value, index, localMetrics, localNames, i, il, name_1, i, il, labelAsymId, entityIndex, rI, name_2;
48
- return (0, tslib_1.__generator)(this, function (_b) {
48
+ return tslib_1.__generator(this, function (_b) {
49
49
  if (!model || !mmcif_1.MmcifFormat.is(model.sourceData))
50
50
  return [2 /*return*/, Empty];
51
51
  _a = model.sourceData.data.db, ma_qa_metric = _a.ma_qa_metric, ma_qa_metric_local = _a.ma_qa_metric_local;
@@ -115,12 +115,12 @@ exports.QualityAssessmentProvider = custom_model_property_1.CustomModelProperty.
115
115
  defaultParams: exports.QualityAssessmentParams,
116
116
  getParams: function (data) { return exports.QualityAssessmentParams; },
117
117
  isApplicable: function (data) { return QualityAssessment.isApplicable(data); },
118
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
118
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
119
119
  var p;
120
- return (0, tslib_1.__generator)(this, function (_a) {
120
+ return tslib_1.__generator(this, function (_a) {
121
121
  switch (_a.label) {
122
122
  case 0:
123
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.QualityAssessmentParams)), props);
123
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.QualityAssessmentParams)), props);
124
124
  return [4 /*yield*/, QualityAssessment.obtain(ctx, data, p)];
125
125
  case 1: return [2 /*return*/, _a.sent()];
126
126
  }
@@ -14,9 +14,9 @@ var date_1 = require("../../mol-util/date");
14
14
  var download_1 = require("../../mol-util/download");
15
15
  var zip_1 = require("../../mol-util/zip/zip");
16
16
  function exportHierarchy(plugin, options) {
17
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
17
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
18
18
  var e_1;
19
- return (0, tslib_1.__generator)(this, function (_a) {
19
+ return tslib_1.__generator(this, function (_a) {
20
20
  switch (_a.label) {
21
21
  case 0:
22
22
  _a.trys.push([0, 2, , 3]);
@@ -37,10 +37,10 @@ function exportHierarchy(plugin, options) {
37
37
  exports.exportHierarchy = exportHierarchy;
38
38
  function _exportHierarchy(plugin, options) {
39
39
  var _this = this;
40
- return mol_task_1.Task.create('Export', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
40
+ return mol_task_1.Task.create('Export', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
41
41
  var format, structures, files, entryMap, _i, structures_1, _s, s, name_1, zipData, _a, files_1, _b, fn, data, bytes, buffer;
42
42
  var _c, _d, _e, _f, _g, _h, _j, _k;
43
- return (0, tslib_1.__generator)(this, function (_l) {
43
+ return tslib_1.__generator(this, function (_l) {
44
44
  switch (_l.label) {
45
45
  case 0: return [4 /*yield*/, ctx.update({ message: 'Exporting...', isIndeterminate: true, canAbort: false })];
46
46
  case 1:
@@ -16,7 +16,7 @@ exports.ModelExport = behavior_1.PluginBehavior.create({
16
16
  name: 'Model Export'
17
17
  },
18
18
  ctor: /** @class */ (function (_super) {
19
- (0, tslib_1.__extends)(class_1, _super);
19
+ tslib_1.__extends(class_1, _super);
20
20
  function class_1() {
21
21
  return _super !== null && _super.apply(this, arguments) || this;
22
22
  }
@@ -17,7 +17,7 @@ var use_behavior_1 = require("../../mol-plugin-ui/hooks/use-behavior");
17
17
  var param_definition_1 = require("../../mol-util/param-definition");
18
18
  var export_1 = require("./export");
19
19
  var ModelExportUI = /** @class */ (function (_super) {
20
- (0, tslib_1.__extends)(ModelExportUI, _super);
20
+ tslib_1.__extends(ModelExportUI, _super);
21
21
  function ModelExportUI() {
22
22
  return _super !== null && _super.apply(this, arguments) || this;
23
23
  }
@@ -29,7 +29,7 @@ var ModelExportUI = /** @class */ (function (_super) {
29
29
  };
30
30
  };
31
31
  ModelExportUI.prototype.renderControls = function () {
32
- return (0, jsx_runtime_1.jsx)(ExportControls, { plugin: this.plugin }, void 0);
32
+ return (0, jsx_runtime_1.jsx)(ExportControls, { plugin: this.plugin });
33
33
  };
34
34
  return ModelExportUI;
35
35
  }(base_1.CollapsableControls));
@@ -53,8 +53,8 @@ function ExportControls(_a) {
53
53
  if (hierarchy.structures.length > 1) {
54
54
  label = 'Export (as ZIP)';
55
55
  }
56
- var onExport = function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
57
- return (0, tslib_1.__generator)(this, function (_a) {
56
+ var onExport = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
57
+ return tslib_1.__generator(this, function (_a) {
58
58
  switch (_a.label) {
59
59
  case 0:
60
60
  setExporting(true);
@@ -72,5 +72,5 @@ function ExportControls(_a) {
72
72
  }
73
73
  });
74
74
  }); };
75
- return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: Params, values: params, onChangeValues: setParams, isDisabled: isBusy || exporting }, void 0), (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ onClick: onExport, style: { marginTop: 1 }, disabled: isBusy || hierarchy.structures.length === 0 || exporting, commit: hierarchy.structures.length ? 'on' : 'off' }, { children: label }), void 0)] }, void 0);
75
+ return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: Params, values: params, onChangeValues: setParams, isDisabled: isBusy || exporting }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: onExport, style: { marginTop: 1 }, disabled: isBusy || hierarchy.structures.length === 0 || exporting, commit: hierarchy.structures.length ? 'on' : 'off' }, { children: label }))] });
76
76
  }
@@ -16,7 +16,7 @@ exports.Mp4AnimationParams = {
16
16
  quantization: param_definition_1.ParamDefinition.Numeric(18, { min: 10, max: 51 }, { description: 'Lower is better, but slower.' })
17
17
  };
18
18
  var Mp4Controls = /** @class */ (function (_super) {
19
- (0, tslib_1.__extends)(Mp4Controls, _super);
19
+ tslib_1.__extends(Mp4Controls, _super);
20
20
  function Mp4Controls(plugin) {
21
21
  var _this = _super.call(this) || this;
22
22
  _this.plugin = plugin;
@@ -45,7 +45,7 @@ var Mp4Controls = /** @class */ (function (_super) {
45
45
  this.behaviors.canApply.next((_b = (_a = anim.canApply) === null || _a === void 0 ? void 0 : _a.call(anim, this.plugin)) !== null && _b !== void 0 ? _b : { canApply: true });
46
46
  };
47
47
  Mp4Controls.prototype.setCurrentParams = function (values) {
48
- this.behaviors.current.next((0, tslib_1.__assign)((0, tslib_1.__assign)({}, this.behaviors.current.value), { values: values }));
48
+ this.behaviors.current.next(tslib_1.__assign(tslib_1.__assign({}, this.behaviors.current.value), { values: values }));
49
49
  };
50
50
  Object.defineProperty(Mp4Controls.prototype, "current", {
51
51
  get: function () {
@@ -56,16 +56,16 @@ var Mp4Controls = /** @class */ (function (_super) {
56
56
  });
57
57
  Mp4Controls.prototype.render = function () {
58
58
  var _this = this;
59
- var task = mol_task_1.Task.create('Export Animation', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
59
+ var task = mol_task_1.Task.create('Export Animation', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
60
60
  var resolution, anim, movie, filename, e_1;
61
61
  var _a, _b, _c;
62
- return (0, tslib_1.__generator)(this, function (_d) {
62
+ return tslib_1.__generator(this, function (_d) {
63
63
  switch (_d.label) {
64
64
  case 0:
65
65
  _d.trys.push([0, 2, , 3]);
66
66
  resolution = (_a = this.plugin.helpers.viewportScreenshot) === null || _a === void 0 ? void 0 : _a.getSizeAndViewport();
67
67
  anim = this.current;
68
- return [4 /*yield*/, (0, encoder_1.encodeMp4Animation)(this.plugin, ctx, (0, tslib_1.__assign)((0, tslib_1.__assign)({ animation: {
68
+ return [4 /*yield*/, (0, encoder_1.encodeMp4Animation)(this.plugin, ctx, tslib_1.__assign(tslib_1.__assign({ animation: {
69
69
  definition: anim.anim,
70
70
  params: anim.values,
71
71
  } }, resolution), { quantizationParameter: this.behaviors.params.value.quantization, pass: (_b = this.plugin.helpers.viewportScreenshot) === null || _b === void 0 ? void 0 : _b.imagePass }))];
@@ -7,13 +7,13 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.encodeMp4Animation = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var HME = (0, tslib_1.__importStar)(require("h264-mp4-encoder"));
10
+ var HME = tslib_1.__importStar(require("h264-mp4-encoder"));
11
11
  var model_1 = require("../../mol-plugin-state/animation/model");
12
12
  function encodeMp4Animation(plugin, ctx, params) {
13
13
  var _a, _b, _c;
14
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
14
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
15
15
  var durationMs, encoder, width, height, vw, vh, normalizedViewport, loop, canvasProps, wasAnimating, stoppedAnimation, finalized, fps, N, dt, i, image;
16
- return (0, tslib_1.__generator)(this, function (_d) {
16
+ return tslib_1.__generator(this, function (_d) {
17
17
  switch (_d.label) {
18
18
  case 0: return [4 /*yield*/, ctx.update({ message: 'Initializing...', isIndeterminate: true })];
19
19
  case 1:
@@ -33,7 +33,7 @@ function encodeMp4Animation(plugin, ctx, params) {
33
33
  vw -= 1;
34
34
  if (vh % 2 !== 0)
35
35
  vh -= 1;
36
- normalizedViewport = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params.viewport), { width: vw, height: vh });
36
+ normalizedViewport = tslib_1.__assign(tslib_1.__assign({}, params.viewport), { width: vw, height: vh });
37
37
  encoder.width = vw;
38
38
  encoder.height = vh;
39
39
  if (params.quantizationParameter)
@@ -16,7 +16,7 @@ exports.Mp4Export = behavior_1.PluginBehavior.create({
16
16
  name: 'MP4 Animation Export'
17
17
  },
18
18
  ctor: /** @class */ (function (_super) {
19
- (0, tslib_1.__extends)(class_1, _super);
19
+ tslib_1.__extends(class_1, _super);
20
20
  function class_1() {
21
21
  return _super !== null && _super.apply(this, arguments) || this;
22
22
  }
@@ -17,15 +17,15 @@ var parameters_1 = require("../../mol-plugin-ui/controls/parameters");
17
17
  var download_1 = require("../../mol-util/download");
18
18
  var controls_1 = require("./controls");
19
19
  var Mp4EncoderUI = /** @class */ (function (_super) {
20
- (0, tslib_1.__extends)(Mp4EncoderUI, _super);
20
+ tslib_1.__extends(Mp4EncoderUI, _super);
21
21
  function Mp4EncoderUI() {
22
22
  var _this = _super !== null && _super.apply(this, arguments) || this;
23
23
  _this.save = function () {
24
24
  (0, download_1.download)(new Blob([_this.state.data.movie]), _this.state.data.filename);
25
25
  };
26
- _this.generate = function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
26
+ _this.generate = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
27
27
  var data, e_1;
28
- return (0, tslib_1.__generator)(this, function (_a) {
28
+ return tslib_1.__generator(this, function (_a) {
29
29
  switch (_a.label) {
30
30
  case 0:
31
31
  _a.trys.push([0, 2, , 3]);
@@ -62,7 +62,7 @@ var Mp4EncoderUI = /** @class */ (function (_super) {
62
62
  };
63
63
  Mp4EncoderUI.prototype.downloadControls = function () {
64
64
  var _this = this;
65
- return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)("div", (0, tslib_1.__assign)({ className: 'msp-control-offset msp-help-text' }, { children: (0, jsx_runtime_1.jsx)("div", (0, tslib_1.__assign)({ className: 'msp-help-description', style: { textAlign: 'center' } }, { children: "Rendering successful!" }), void 0) }), void 0), (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ icon: icons_1.GetAppSvg, onClick: this.save, style: { marginTop: 1 } }, { children: "Save Animation" }), void 0), (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ onClick: function () { return _this.setState({ data: void 0 }); }, style: { marginTop: 6 } }, { children: "Clear" }), void 0)] }, void 0);
65
+ return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-control-offset msp-help-text' }, { children: (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-help-description', style: { textAlign: 'center' } }, { children: "Rendering successful!" })) })), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ icon: icons_1.GetAppSvg, onClick: this.save, style: { marginTop: 1 } }, { children: "Save Animation" })), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: function () { return _this.setState({ data: void 0 }); }, style: { marginTop: 6 } }, { children: "Clear" }))] });
66
66
  };
67
67
  Mp4EncoderUI.prototype.renderControls = function () {
68
68
  var _a;
@@ -73,7 +73,7 @@ var Mp4EncoderUI = /** @class */ (function (_super) {
73
73
  var current = ctrl.behaviors.current.value;
74
74
  var info = ctrl.behaviors.info.value;
75
75
  var canApply = ctrl.behaviors.canApply.value;
76
- return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: ctrl.behaviors.animations.value, values: { current: current === null || current === void 0 ? void 0 : current.anim.name }, onChangeValues: function (xs) { return ctrl.setCurrent(xs.current); }, isDisabled: this.state.busy }, void 0), current && (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: current.params, values: current.values, onChangeValues: function (xs) { return ctrl.setCurrentParams(xs); }, isDisabled: this.state.busy }, void 0), (0, jsx_runtime_1.jsx)("div", (0, tslib_1.__assign)({ className: 'msp-control-offset msp-help-text' }, { children: (0, jsx_runtime_1.jsxs)("div", (0, tslib_1.__assign)({ className: 'msp-help-description', style: { textAlign: 'center' } }, { children: ["Resolution: ", info.width, "x", info.height, (0, jsx_runtime_1.jsx)("br", {}, void 0), "Adjust in viewport using ", (0, jsx_runtime_1.jsx)(icons_1.Icon, { svg: icons_1.CameraOutlinedSvg, inline: true }, void 0)] }), void 0) }), void 0), (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: controls_1.Mp4AnimationParams, values: ctrl.behaviors.params.value, onChangeValues: function (xs) { return ctrl.behaviors.params.next(xs); }, isDisabled: this.state.busy }, void 0), (0, jsx_runtime_1.jsx)(common_1.Button, (0, tslib_1.__assign)({ onClick: this.generate, style: { marginTop: 1 }, disabled: this.state.busy || !canApply.canApply, commit: canApply.canApply ? 'on' : 'off' }, { children: canApply.canApply ? 'Render' : (_a = canApply.reason) !== null && _a !== void 0 ? _a : 'Invalid params/state' }), void 0)] }, void 0);
76
+ return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: ctrl.behaviors.animations.value, values: { current: current === null || current === void 0 ? void 0 : current.anim.name }, onChangeValues: function (xs) { return ctrl.setCurrent(xs.current); }, isDisabled: this.state.busy }), current && (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: current.params, values: current.values, onChangeValues: function (xs) { return ctrl.setCurrentParams(xs); }, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-control-offset msp-help-text' }, { children: (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ className: 'msp-help-description', style: { textAlign: 'center' } }, { children: ["Resolution: ", info.width, "x", info.height, (0, jsx_runtime_1.jsx)("br", {}), "Adjust in viewport using ", (0, jsx_runtime_1.jsx)(icons_1.Icon, { svg: icons_1.CameraOutlinedSvg, inline: true })] })) })), (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: controls_1.Mp4AnimationParams, values: ctrl.behaviors.params.value, onChangeValues: function (xs) { return ctrl.behaviors.params.next(xs); }, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: this.generate, style: { marginTop: 1 }, disabled: this.state.busy || !canApply.canApply, commit: canApply.canApply ? 'on' : 'off' }, { children: canApply.canApply ? 'Render' : (_a = canApply.reason) !== null && _a !== void 0 ? _a : 'Invalid params/state' }))] });
77
77
  };
78
78
  Mp4EncoderUI.prototype.componentDidMount = function () {
79
79
  var _this = this;
@@ -54,9 +54,9 @@ var PDBePreferredAssembly;
54
54
  return (0, schema_1.toTable)(PDBePreferredAssembly.Schema.pdbe_preferred_assembly, cat).assembly_id.value(0) || getFirstFromModel(model);
55
55
  }
56
56
  function attachFromCifOrApi(model, params) {
57
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
57
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
58
58
  var asmName, data;
59
- return (0, tslib_1.__generator)(this, function (_a) {
59
+ return tslib_1.__generator(this, function (_a) {
60
60
  switch (_a.label) {
61
61
  case 0:
62
62
  if (model.customProperties.has(PDBePreferredAssembly.Descriptor))
@@ -64,9 +64,9 @@ var PDBeStructRefDomain;
64
64
  return (0, schema_1.toTable)(PDBeStructRefDomain.Schema.pdbe_struct_ref_domain, cat);
65
65
  }
66
66
  function attachFromCifOrApi(model, params) {
67
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
67
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
68
68
  var table, info, data;
69
- return (0, tslib_1.__generator)(this, function (_a) {
69
+ return tslib_1.__generator(this, function (_a) {
70
70
  switch (_a.label) {
71
71
  case 0:
72
72
  if (model.customProperties.has(PDBeStructRefDomain.Descriptor))
@@ -21,7 +21,7 @@ exports.PDBeStructureQualityReport = behavior_1.PluginBehavior.create({
21
21
  description: 'Data from wwPDB Validation Report, obtained via PDBe.'
22
22
  },
23
23
  ctor: /** @class */ (function (_super) {
24
- (0, tslib_1.__extends)(class_1, _super);
24
+ tslib_1.__extends(class_1, _super);
25
25
  function class_1() {
26
26
  var _this = _super !== null && _super.apply(this, arguments) || this;
27
27
  _this.provider = prop_1.StructureQualityReportProvider;
@@ -39,7 +39,7 @@ var StructureQualityReport;
39
39
  pdbe_structure_quality_report: {
40
40
  updated_datetime_utc: db_1.Column.Schema.str
41
41
  },
42
- pdbe_structure_quality_report_issues: (0, tslib_1.__assign)((0, tslib_1.__assign)({ id: db_1.Column.Schema.int }, mmcif_extras_1.mmCIF_residueId_schema), { pdbx_PDB_model_num: db_1.Column.Schema.int, issue_type_group_id: db_1.Column.Schema.int }),
42
+ pdbe_structure_quality_report_issues: tslib_1.__assign(tslib_1.__assign({ id: db_1.Column.Schema.int }, mmcif_extras_1.mmCIF_residueId_schema), { pdbx_PDB_model_num: db_1.Column.Schema.int, issue_type_group_id: db_1.Column.Schema.int }),
43
43
  pdbe_structure_quality_report_issue_types: {
44
44
  group_id: db_1.Column.Schema.int,
45
45
  issue_type: db_1.Column.Schema.str
@@ -52,9 +52,9 @@ var StructureQualityReport;
52
52
  }
53
53
  StructureQualityReport.fromJson = fromJson;
54
54
  function fromServer(ctx, model, props) {
55
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
55
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
56
56
  var url, json, data;
57
- return (0, tslib_1.__generator)(this, function (_a) {
57
+ return tslib_1.__generator(this, function (_a) {
58
58
  switch (_a.label) {
59
59
  case 0:
60
60
  url = assets_1.Asset.getUrlAsset(ctx.assetManager, getEntryUrl(model.entryId, props.serverUrl));
@@ -80,9 +80,9 @@ var StructureQualityReport;
80
80
  }
81
81
  StructureQualityReport.fromCif = fromCif;
82
82
  function fromCifOrServer(ctx, model, props) {
83
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
83
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
84
84
  var cif;
85
- return (0, tslib_1.__generator)(this, function (_a) {
85
+ return tslib_1.__generator(this, function (_a) {
86
86
  cif = fromCif(ctx, model, props);
87
87
  return [2 /*return*/, cif ? { value: cif } : fromServer(ctx, model, props)];
88
88
  });
@@ -158,12 +158,12 @@ exports.StructureQualityReportProvider = custom_model_property_1.CustomModelProp
158
158
  defaultParams: exports.StructureQualityReportParams,
159
159
  getParams: function (data) { return exports.StructureQualityReportParams; },
160
160
  isApplicable: function (data) { return StructureQualityReport.isApplicable(data); },
161
- obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
161
+ obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
162
162
  var p;
163
- return (0, tslib_1.__generator)(this, function (_a) {
163
+ return tslib_1.__generator(this, function (_a) {
164
164
  switch (_a.label) {
165
165
  case 0:
166
- p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.StructureQualityReportParams)), props);
166
+ p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.StructureQualityReportParams)), props);
167
167
  return [4 /*yield*/, StructureQualityReport.fromCifOrServer(ctx, data, p)];
168
168
  case 1: return [2 /*return*/, _a.sent()];
169
169
  }