molstar 3.3.0 → 3.5.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (905) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -194
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/docking-viewer/viewport.js +1 -1
  8. package/lib/apps/viewer/app.d.ts +7 -6
  9. package/lib/apps/viewer/app.js +2 -0
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.html +106 -106
  12. package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  13. package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
  14. package/lib/cli/cif2bcif/converter.js +1 -1
  15. package/lib/cli/cif2bcif/index.js +4 -4
  16. package/lib/commonjs/apps/docking-viewer/index.js +12 -12
  17. package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
  18. package/lib/commonjs/apps/viewer/app.d.ts +7 -6
  19. package/lib/commonjs/apps/viewer/app.js +24 -22
  20. package/lib/commonjs/apps/viewer/index.js +1 -1
  21. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
  22. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  23. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
  24. package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
  25. package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
  26. package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
  27. package/lib/commonjs/cli/cif2bcif/index.js +12 -12
  28. package/lib/commonjs/cli/cifschema/index.js +27 -27
  29. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
  30. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  31. package/lib/commonjs/cli/state-docs/index.js +2 -2
  32. package/lib/commonjs/cli/structure-info/helpers.js +11 -11
  33. package/lib/commonjs/cli/structure-info/model.js +15 -15
  34. package/lib/commonjs/cli/structure-info/volume.js +9 -9
  35. package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
  36. package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
  37. package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
  38. package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
  39. package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
  40. package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
  41. package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
  42. package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
  43. package/lib/commonjs/examples/lighting/index.js +6 -6
  44. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
  45. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
  46. package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
  47. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
  48. package/lib/commonjs/examples/task.js +15 -15
  49. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
  50. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
  51. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
  52. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
  53. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
  54. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
  55. package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
  56. package/lib/commonjs/extensions/anvil/behavior.js +14 -14
  57. package/lib/commonjs/extensions/anvil/prop.js +7 -7
  58. package/lib/commonjs/extensions/anvil/representation.js +5 -5
  59. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  60. package/lib/commonjs/extensions/cellpack/model.js +26 -24
  61. package/lib/commonjs/extensions/cellpack/preset.js +6 -6
  62. package/lib/commonjs/extensions/cellpack/property.js +3 -3
  63. package/lib/commonjs/extensions/cellpack/representation.js +2 -2
  64. package/lib/commonjs/extensions/cellpack/state.js +13 -13
  65. package/lib/commonjs/extensions/cellpack/util.js +14 -14
  66. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  67. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  68. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
  69. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
  70. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
  71. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
  72. package/lib/commonjs/extensions/g3d/data.js +6 -6
  73. package/lib/commonjs/extensions/g3d/format.js +14 -14
  74. package/lib/commonjs/extensions/g3d/model.js +4 -4
  75. package/lib/commonjs/extensions/geo-export/controls.js +3 -3
  76. package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
  77. package/lib/commonjs/extensions/geo-export/index.js +1 -1
  78. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
  79. package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
  80. package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
  81. package/lib/commonjs/extensions/geo-export/ui.js +7 -7
  82. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
  83. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
  84. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
  85. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
  86. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
  87. package/lib/commonjs/extensions/model-export/export.js +4 -4
  88. package/lib/commonjs/extensions/model-export/index.js +1 -1
  89. package/lib/commonjs/extensions/model-export/ui.js +5 -5
  90. package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
  91. package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
  92. package/lib/commonjs/extensions/mp4-export/index.js +1 -1
  93. package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
  94. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
  95. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
  96. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  97. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
  98. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
  99. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
  100. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
  101. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
  102. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
  103. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
  104. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
  105. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -5
  106. package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
  107. package/lib/commonjs/extensions/zenodo/index.js +35 -0
  108. package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
  109. package/lib/commonjs/extensions/zenodo/ui.js +306 -0
  110. package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
  111. package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
  112. package/lib/commonjs/mol-canvas3d/camera.js +2 -1
  113. package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
  114. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  115. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
  116. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
  117. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
  118. package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
  119. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
  120. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  121. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
  122. package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
  123. package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
  124. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
  125. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
  126. package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
  127. package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
  128. package/lib/commonjs/mol-canvas3d/util.js +2 -2
  129. package/lib/commonjs/mol-data/db/column.js +2 -2
  130. package/lib/commonjs/mol-data/db/table.js +1 -1
  131. package/lib/commonjs/mol-data/db.js +1 -1
  132. package/lib/commonjs/mol-data/generic.js +3 -3
  133. package/lib/commonjs/mol-data/index.js +4 -4
  134. package/lib/commonjs/mol-data/int/interval.js +1 -1
  135. package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
  136. package/lib/commonjs/mol-data/int/segmentation.js +1 -1
  137. package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
  138. package/lib/commonjs/mol-data/util.js +7 -7
  139. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  140. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
  141. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
  142. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
  143. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
  144. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  145. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
  146. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  147. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  148. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
  149. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  150. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
  151. package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
  152. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
  153. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  154. package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
  155. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
  156. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  157. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
  158. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
  159. package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
  160. package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
  161. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  162. package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
  163. package/lib/commonjs/mol-geo/primitive/star.js +1 -1
  164. package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
  165. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
  166. package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
  167. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
  168. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
  169. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
  170. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
  171. package/lib/commonjs/mol-gl/compute/util.js +3 -3
  172. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  173. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  174. package/lib/commonjs/mol-gl/renderable/image.js +3 -3
  175. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  176. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  177. package/lib/commonjs/mol-gl/renderable/points.js +3 -3
  178. package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
  179. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  180. package/lib/commonjs/mol-gl/renderable/text.js +3 -3
  181. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  182. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  183. package/lib/commonjs/mol-gl/shader-code.js +2 -1
  184. package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
  185. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  186. package/lib/commonjs/mol-gl/webgl/context.js +5 -5
  187. package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
  188. package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
  189. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
  190. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
  191. package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
  192. package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
  193. package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
  194. package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
  195. package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
  196. package/lib/commonjs/mol-io/common/typed-array.js +2 -2
  197. package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
  198. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
  199. package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
  200. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  201. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  202. package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
  203. package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
  204. package/lib/commonjs/mol-io/reader/cif.js +1 -1
  205. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
  206. package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
  207. package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
  208. package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
  209. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  210. package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
  211. package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
  212. package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
  213. package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
  214. package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
  215. package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
  216. package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
  217. package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
  218. package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
  219. package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
  220. package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
  221. package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
  222. package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
  223. package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
  224. package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
  225. package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
  226. package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
  227. package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
  228. package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
  229. package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
  230. package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
  231. package/lib/commonjs/mol-io/writer/cif.js +1 -1
  232. package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
  233. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  234. package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
  235. package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
  236. package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
  237. package/lib/commonjs/mol-math/geometry/common.js +1 -1
  238. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
  239. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +6 -6
  240. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
  241. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +8 -8
  242. package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
  243. package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
  244. package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
  245. package/lib/commonjs/mol-math/geometry/molecular-surface.js +10 -10
  246. package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
  247. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +13 -7
  248. package/lib/commonjs/mol-math/geometry.js +8 -8
  249. package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
  250. package/lib/commonjs/mol-math/graph.js +1 -1
  251. package/lib/commonjs/mol-math/linear-algebra.js +2 -2
  252. package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
  253. package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
  254. package/lib/commonjs/mol-model/sequence.js +1 -1
  255. package/lib/commonjs/mol-model/shape.js +1 -1
  256. package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
  257. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  258. package/lib/commonjs/mol-model/structure/model/model.js +3 -3
  259. package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
  260. package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
  261. package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
  262. package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
  263. package/lib/commonjs/mol-model/structure/model.js +3 -3
  264. package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
  265. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
  266. package/lib/commonjs/mol-model/structure/query.js +6 -6
  267. package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
  268. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  269. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
  270. package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
  271. package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
  272. package/lib/commonjs/mol-model/structure/structure/structure.js +9 -6
  273. package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
  274. package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
  275. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
  276. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +6 -4
  277. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  278. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
  279. package/lib/commonjs/mol-model/structure/structure/unit.js +5 -22
  280. package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
  281. package/lib/commonjs/mol-model/structure/structure.js +2 -2
  282. package/lib/commonjs/mol-model/structure/topology.js +1 -1
  283. package/lib/commonjs/mol-model/structure.js +6 -6
  284. package/lib/commonjs/mol-model/volume.js +2 -2
  285. package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
  286. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
  287. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
  288. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  289. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  290. package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
  291. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
  292. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
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  872. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +10 -1
  873. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +10 -1
  874. package/lib/mol-repr/structure/visual/element-point.d.ts +1 -1
  875. package/lib/mol-repr/structure/visual/element-point.js +22 -3
  876. package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
  877. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
  878. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
  879. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  880. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
  881. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
  882. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  883. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
  884. package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
  885. package/lib/mol-repr/structure/visual/util/common.js +1 -24
  886. package/lib/mol-repr/structure/visual/util/element.js +36 -2
  887. package/lib/mol-repr/structure/visual/util/link.d.ts +13 -3
  888. package/lib/mol-repr/structure/visual/util/link.js +55 -6
  889. package/lib/mol-script/language/builder.d.ts +1 -0
  890. package/lib/mol-script/language/parser.js +7 -4
  891. package/lib/mol-task/util/scheduler.d.ts +2 -2
  892. package/lib/mol-task/util/scheduler.js +7 -7
  893. package/lib/mol-theme/color/hydrophobicity.js +2 -2
  894. package/lib/mol-util/data-source.js +2 -1
  895. package/lib/mol-util/file-info.d.ts +1 -3
  896. package/lib/mol-util/file-info.js +2 -10
  897. package/lib/mol-util/index.d.ts +1 -0
  898. package/lib/mol-util/index.js +5 -0
  899. package/lib/mol-util/zip/deflate.js +2 -1
  900. package/lib/mol-util/zip/zip.d.ts +7 -1
  901. package/lib/mol-util/zip/zip.js +5 -1
  902. package/lib/servers/model/config.d.ts +2 -2
  903. package/package.json +160 -160
  904. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
  905. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -31,7 +31,7 @@ var structure_substance_1 = require("../../helpers/structure-substance");
31
31
  var material_1 = require("../../../mol-util/material");
32
32
  var clip_1 = require("../../../mol-util/clip");
33
33
  var StructureComponentManager = /** @class */ (function (_super) {
34
- (0, tslib_1.__extends)(StructureComponentManager, _super);
34
+ tslib_1.__extends(StructureComponentManager, _super);
35
35
  function StructureComponentManager(plugin) {
36
36
  var _this = _super.call(this, { options: param_definition_1.ParamDefinition.getDefaultValues(StructureComponentManager.OptionsParams) }) || this;
37
37
  _this.plugin = plugin;
@@ -55,10 +55,10 @@ var StructureComponentManager = /** @class */ (function (_super) {
55
55
  configurable: true
56
56
  });
57
57
  StructureComponentManager.prototype.setOptions = function (options) {
58
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
58
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
59
59
  var interactionChanged, update, _i, _a, s, _b, _c, c;
60
60
  var _this = this;
61
- return (0, tslib_1.__generator)(this, function (_d) {
61
+ return tslib_1.__generator(this, function (_d) {
62
62
  interactionChanged = options.interactions !== this.state.options.interactions;
63
63
  this.updateState({ options: options });
64
64
  this.events.optionsUpdated.next(void 0);
@@ -70,8 +70,8 @@ var StructureComponentManager = /** @class */ (function (_super) {
70
70
  this.updateReprParams(update, c);
71
71
  }
72
72
  }
73
- return [2 /*return*/, this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
74
- return (0, tslib_1.__generator)(this, function (_a) {
73
+ return [2 /*return*/, this.plugin.dataTransaction(function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
74
+ return tslib_1.__generator(this, function (_a) {
75
75
  switch (_a.label) {
76
76
  case 0: return [4 /*yield*/, update.commit()];
77
77
  case 1:
@@ -117,10 +117,10 @@ var StructureComponentManager = /** @class */ (function (_super) {
117
117
  };
118
118
  StructureComponentManager.prototype.updateInterationProps = function () {
119
119
  var _a, _b, _c;
120
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
120
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
121
121
  var _i, _d, s, interactionParams, oldParams, pd, params;
122
122
  var _this = this;
123
- return (0, tslib_1.__generator)(this, function (_e) {
123
+ return tslib_1.__generator(this, function (_e) {
124
124
  switch (_e.label) {
125
125
  case 0:
126
126
  _i = 0, _d = this.currentStructures;
@@ -161,9 +161,9 @@ var StructureComponentManager = /** @class */ (function (_super) {
161
161
  };
162
162
  StructureComponentManager.prototype.applyPreset = function (structures, provider, params) {
163
163
  var _this = this;
164
- return this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
164
+ return this.plugin.dataTransaction(function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
165
165
  var _i, structures_1, s, preset;
166
- return (0, tslib_1.__generator)(this, function (_a) {
166
+ return tslib_1.__generator(this, function (_a) {
167
167
  switch (_a.label) {
168
168
  case 0:
169
169
  _i = 0, structures_1 = structures;
@@ -251,9 +251,9 @@ var StructureComponentManager = /** @class */ (function (_super) {
251
251
  };
252
252
  StructureComponentManager.prototype.modifyByCurrentSelection = function (components, action) {
253
253
  var _this = this;
254
- return this.plugin.runTask(mol_task_1.Task.create('Modify Component', function (taskCtx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
254
+ return this.plugin.runTask(mol_task_1.Task.create('Modify Component', function (taskCtx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
255
255
  var b, _i, components_2, c, selection;
256
- return (0, tslib_1.__generator)(this, function (_a) {
256
+ return tslib_1.__generator(this, function (_a) {
257
257
  switch (_a.label) {
258
258
  case 0:
259
259
  b = this.dataState.build();
@@ -385,9 +385,9 @@ var StructureComponentManager = /** @class */ (function (_super) {
385
385
  var _a = this.state.options, showHydrogens = _a.showHydrogens, quality = _a.visualQuality, ignoreLight = _a.ignoreLight, material = _a.materialStyle, clip = _a.clipObjects;
386
386
  var ignoreHydrogens = !showHydrogens;
387
387
  var typeParams = { ignoreHydrogens: ignoreHydrogens, quality: quality, ignoreLight: ignoreLight, material: material, clip: clip };
388
- return this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
388
+ return this.plugin.dataTransaction(function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
389
389
  var _i, components_9, component;
390
- return (0, tslib_1.__generator)(this, function (_a) {
390
+ return tslib_1.__generator(this, function (_a) {
391
391
  switch (_a.label) {
392
392
  case 0:
393
393
  _i = 0, components_9 = components;
@@ -414,10 +414,10 @@ var StructureComponentManager = /** @class */ (function (_super) {
414
414
  var _this = this;
415
415
  if (structure.components.length === 0)
416
416
  return;
417
- return this.plugin.runTask(mol_task_1.Task.create('Find Component', function (taskCtx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
417
+ return this.plugin.runTask(mol_task_1.Task.create('Find Component', function (taskCtx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
418
418
  var data, sel, _a, _b, _i, _c, c, comp;
419
419
  var _d, _e;
420
- return (0, tslib_1.__generator)(this, function (_f) {
420
+ return tslib_1.__generator(this, function (_f) {
421
421
  switch (_f.label) {
422
422
  case 0:
423
423
  data = (_d = structure.cell.obj) === null || _d === void 0 ? void 0 : _d.data;
@@ -441,12 +441,12 @@ var StructureComponentManager = /** @class */ (function (_super) {
441
441
  }); }));
442
442
  };
443
443
  StructureComponentManager.prototype.add = function (params, structures) {
444
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
444
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
445
445
  var _this = this;
446
- return (0, tslib_1.__generator)(this, function (_a) {
447
- return [2 /*return*/, this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
446
+ return tslib_1.__generator(this, function (_a) {
447
+ return [2 /*return*/, this.plugin.dataTransaction(function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
448
448
  var xs, _a, showHydrogens, quality, ignoreLight, material, clip, ignoreHydrogens, typeParams, componentKey, _i, xs_1, s, component;
449
- return (0, tslib_1.__generator)(this, function (_b) {
449
+ return tslib_1.__generator(this, function (_b) {
450
450
  switch (_b.label) {
451
451
  case 0:
452
452
  xs = structures || this.currentStructures;
@@ -496,19 +496,19 @@ var StructureComponentManager = /** @class */ (function (_super) {
496
496
  });
497
497
  };
498
498
  StructureComponentManager.prototype.applyTheme = function (params, structures) {
499
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
499
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
500
500
  var _this = this;
501
- return (0, tslib_1.__generator)(this, function (_a) {
502
- return [2 /*return*/, this.plugin.dataTransaction(function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
501
+ return tslib_1.__generator(this, function (_a) {
502
+ return [2 /*return*/, this.plugin.dataTransaction(function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
503
503
  var xs, getLoci, _i, xs_2, s, p, p, p, p;
504
504
  var _this = this;
505
- return (0, tslib_1.__generator)(this, function (_a) {
505
+ return tslib_1.__generator(this, function (_a) {
506
506
  switch (_a.label) {
507
507
  case 0:
508
508
  xs = structures || this.currentStructures;
509
509
  if (xs.length === 0)
510
510
  return [2 /*return*/];
511
- getLoci = function (s) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () { var _a, _b; return (0, tslib_1.__generator)(this, function (_c) {
511
+ getLoci = function (s) { return tslib_1.__awaiter(_this, void 0, void 0, function () { var _a, _b; return tslib_1.__generator(this, function (_c) {
512
512
  switch (_c.label) {
513
513
  case 0:
514
514
  _b = (_a = structure_1.StructureSelection).toLociWithSourceUnits;
@@ -637,7 +637,7 @@ exports.StructureComponentManager = StructureComponentManager;
637
637
  };
638
638
  function getAddParams(plugin, params) {
639
639
  var options = plugin.query.structure.registry.options;
640
- params = (0, tslib_1.__assign)({ pivot: plugin.managers.structure.component.pivotStructure, allowNone: true, hideSelection: false, checkExisting: false }, params);
640
+ params = tslib_1.__assign({ pivot: plugin.managers.structure.component.pivotStructure, allowNone: true, hideSelection: false, checkExisting: false }, params);
641
641
  return {
642
642
  selection: param_definition_1.ParamDefinition.Select(options[1][0], options, { isHidden: params === null || params === void 0 ? void 0 : params.hideSelection }),
643
643
  representation: getRepresentationTypesSelect(plugin, params === null || params === void 0 ? void 0 : params.pivot, (params === null || params === void 0 ? void 0 : params.allowNone) ? [['none', '< Create Later >']] : []),
@@ -680,7 +680,7 @@ exports.StructureComponentManager = StructureComponentManager;
680
680
  }
681
681
  StructureComponentManager.getRepresentationTypes = getRepresentationTypes;
682
682
  function getRepresentationTypesSelect(plugin, pivot, custom, label) {
683
- var types = (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], custom, true), getRepresentationTypes(plugin, pivot), true);
683
+ var types = tslib_1.__spreadArray(tslib_1.__spreadArray([], custom, true), getRepresentationTypes(plugin, pivot), true);
684
684
  return param_definition_1.ParamDefinition.Select(types[0][0], types, { label: label });
685
685
  }
686
686
  })(StructureComponentManager || (StructureComponentManager = {}));
@@ -19,7 +19,7 @@ var linear_algebra_1 = require("../../../mol-math/linear-algebra");
19
19
  var geometry_1 = require("../../../mol-math/geometry");
20
20
  var HISTORY_CAPACITY = 8;
21
21
  var StructureFocusManager = /** @class */ (function (_super) {
22
- (0, tslib_1.__extends)(StructureFocusManager, _super);
22
+ tslib_1.__extends(StructureFocusManager, _super);
23
23
  function StructureFocusManager(plugin) {
24
24
  var _this = _super.call(this, { history: [] }) || this;
25
25
  _this.plugin = plugin;
@@ -65,7 +65,7 @@ var StructureFocusManager = /** @class */ (function (_super) {
65
65
  var structure = obj.data;
66
66
  if (current && current.loci.structure === oldData) {
67
67
  var loci = structure_1.StructureElement.Loci.remap(current.loci, structure);
68
- _this.state.current = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, current), { loci: loci });
68
+ _this.state.current = tslib_1.__assign(tslib_1.__assign({}, current), { loci: loci });
69
69
  _this.behaviors.current.next(_this.state.current);
70
70
  loci_1.Loci.getBoundingSphere(loci, sphere);
71
71
  var camera = (_b = _this.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.camera;
@@ -50,7 +50,7 @@ function StructureVolumeStreamingRef(cell, structure) {
50
50
  function componentKey(cell) {
51
51
  if (!cell.transform.tags)
52
52
  return cell.transform.ref;
53
- return (0, tslib_1.__spreadArray)([], cell.transform.tags, true).sort().join();
53
+ return tslib_1.__spreadArray([], cell.transform.tags, true).sort().join();
54
54
  }
55
55
  function StructureComponentRef(cell, structure) {
56
56
  return { kind: 'structure-component', cell: cell, version: cell.transform.version, structure: structure, key: componentKey(cell), representations: [] };
@@ -15,7 +15,7 @@ var set_1 = require("../../../mol-util/set");
15
15
  var component_1 = require("../../component");
16
16
  var hierarchy_state_1 = require("./hierarchy-state");
17
17
  var StructureHierarchyManager = /** @class */ (function (_super) {
18
- (0, tslib_1.__extends)(StructureHierarchyManager, _super);
18
+ tslib_1.__extends(StructureHierarchyManager, _super);
19
19
  function StructureHierarchyManager(plugin) {
20
20
  var _this = _super.call(this) || this;
21
21
  _this.plugin = plugin;
@@ -135,7 +135,7 @@ var StructureHierarchyManager = /** @class */ (function (_super) {
135
135
  if (this.state.syncedTree === this.dataState.tree) {
136
136
  if (notify && !this.state.notified) {
137
137
  this.state.notified = true;
138
- this.behaviors.selection.next((0, tslib_1.__assign)({ hierarchy: this.state.hierarchy }, this.state.selection));
138
+ this.behaviors.selection.next(tslib_1.__assign({ hierarchy: this.state.hierarchy }, this.state.selection));
139
139
  }
140
140
  return;
141
141
  }
@@ -215,9 +215,9 @@ var StructureHierarchyManager = /** @class */ (function (_super) {
215
215
  };
216
216
  StructureHierarchyManager.prototype.applyPreset = function (trajectories, provider, params) {
217
217
  var _this = this;
218
- return this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
218
+ return this.plugin.dataTransaction(function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
219
219
  var _i, trajectories_1, t;
220
- return (0, tslib_1.__generator)(this, function (_a) {
220
+ return tslib_1.__generator(this, function (_a) {
221
221
  switch (_a.label) {
222
222
  case 0:
223
223
  _i = 0, trajectories_1 = trajectories;
@@ -243,13 +243,13 @@ var StructureHierarchyManager = /** @class */ (function (_super) {
243
243
  }); });
244
244
  };
245
245
  StructureHierarchyManager.prototype.updateStructure = function (s, params) {
246
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
246
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
247
247
  var _this = this;
248
- return (0, tslib_1.__generator)(this, function (_a) {
248
+ return tslib_1.__generator(this, function (_a) {
249
249
  switch (_a.label) {
250
- case 0: return [4 /*yield*/, this.plugin.dataTransaction(function () { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
250
+ case 0: return [4 /*yield*/, this.plugin.dataTransaction(function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
251
251
  var root, children;
252
- return (0, tslib_1.__generator)(this, function (_a) {
252
+ return tslib_1.__generator(this, function (_a) {
253
253
  switch (_a.label) {
254
254
  case 0:
255
255
  root = mol_state_1.StateTree.getDecoratorRoot(this.dataState.tree, s.cell.transform.ref);
@@ -26,7 +26,7 @@ exports.StructureMeasurementParams = {
26
26
  };
27
27
  var DefaultStructureMeasurementOptions = param_definition_1.ParamDefinition.getDefaultValues(exports.StructureMeasurementParams);
28
28
  var StructureMeasurementManager = /** @class */ (function (_super) {
29
- (0, tslib_1.__extends)(StructureMeasurementManager, _super);
29
+ tslib_1.__extends(StructureMeasurementManager, _super);
30
30
  function StructureMeasurementManager(plugin) {
31
31
  var _this = _super.call(this, { labels: [], distances: [], angles: [], dihedrals: [], orientations: [], planes: [], options: DefaultStructureMeasurementOptions }) || this;
32
32
  _this.plugin = plugin;
@@ -57,9 +57,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
57
57
  return builder.toRoot().group(transforms_1.StateTransforms.Misc.CreateGroup, { label: "Measurements" }, { tags: exports.MeasurementGroupTag });
58
58
  };
59
59
  StructureMeasurementManager.prototype.setOptions = function (options) {
60
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
60
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
61
61
  var update, _i, _a, cell, _b, _c, cell, _d, _e, cell, _f, _g, cell;
62
- return (0, tslib_1.__generator)(this, function (_h) {
62
+ return tslib_1.__generator(this, function (_h) {
63
63
  switch (_h.label) {
64
64
  case 0:
65
65
  if (this.updateState({ options: options }))
@@ -95,9 +95,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
95
95
  });
96
96
  };
97
97
  StructureMeasurementManager.prototype.addDistance = function (a, b, options) {
98
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
98
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
99
99
  var cellA, cellB, dependsOn, update, state;
100
- return (0, tslib_1.__generator)(this, function (_a) {
100
+ return tslib_1.__generator(this, function (_a) {
101
101
  switch (_a.label) {
102
102
  case 0:
103
103
  cellA = this.plugin.helpers.substructureParent.get(a.structure);
@@ -116,7 +116,7 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
116
116
  isTransitive: true,
117
117
  label: 'Distance'
118
118
  }, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
119
- .apply(transforms_1.StateTransforms.Representation.StructureSelectionsDistance3D, (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', unitLabel: this.state.options.distanceUnitLabel, textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
119
+ .apply(transforms_1.StateTransforms.Representation.StructureSelectionsDistance3D, tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', unitLabel: this.state.options.distanceUnitLabel, textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
120
120
  state = this.plugin.state.data;
121
121
  return [4 /*yield*/, commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: update, options: { doNotLogTiming: true } })];
122
122
  case 1:
@@ -127,9 +127,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
127
127
  });
128
128
  };
129
129
  StructureMeasurementManager.prototype.addAngle = function (a, b, c, options) {
130
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
130
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
131
131
  var cellA, cellB, cellC, dependsOn, update, state;
132
- return (0, tslib_1.__generator)(this, function (_a) {
132
+ return tslib_1.__generator(this, function (_a) {
133
133
  switch (_a.label) {
134
134
  case 0:
135
135
  cellA = this.plugin.helpers.substructureParent.get(a.structure);
@@ -151,7 +151,7 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
151
151
  isTransitive: true,
152
152
  label: 'Angle'
153
153
  }, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
154
- .apply(transforms_1.StateTransforms.Representation.StructureSelectionsAngle3D, (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
154
+ .apply(transforms_1.StateTransforms.Representation.StructureSelectionsAngle3D, tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
155
155
  state = this.plugin.state.data;
156
156
  return [4 /*yield*/, commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: update, options: { doNotLogTiming: true } })];
157
157
  case 1:
@@ -162,9 +162,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
162
162
  });
163
163
  };
164
164
  StructureMeasurementManager.prototype.addDihedral = function (a, b, c, d, options) {
165
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
165
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
166
166
  var cellA, cellB, cellC, cellD, dependsOn, update, state;
167
- return (0, tslib_1.__generator)(this, function (_a) {
167
+ return tslib_1.__generator(this, function (_a) {
168
168
  switch (_a.label) {
169
169
  case 0:
170
170
  cellA = this.plugin.helpers.substructureParent.get(a.structure);
@@ -189,7 +189,7 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
189
189
  isTransitive: true,
190
190
  label: 'Dihedral'
191
191
  }, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
192
- .apply(transforms_1.StateTransforms.Representation.StructureSelectionsDihedral3D, (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
192
+ .apply(transforms_1.StateTransforms.Representation.StructureSelectionsDihedral3D, tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
193
193
  state = this.plugin.state.data;
194
194
  return [4 /*yield*/, commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: update, options: { doNotLogTiming: true } })];
195
195
  case 1:
@@ -200,9 +200,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
200
200
  });
201
201
  };
202
202
  StructureMeasurementManager.prototype.addLabel = function (a, options) {
203
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
203
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
204
204
  var cellA, dependsOn, update, state;
205
- return (0, tslib_1.__generator)(this, function (_a) {
205
+ return tslib_1.__generator(this, function (_a) {
206
206
  switch (_a.label) {
207
207
  case 0:
208
208
  cellA = this.plugin.helpers.substructureParent.get(a.structure);
@@ -218,7 +218,7 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
218
218
  isTransitive: true,
219
219
  label: 'Label'
220
220
  }, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
221
- .apply(transforms_1.StateTransforms.Representation.StructureSelectionsLabel3D, (0, tslib_1.__assign)((0, tslib_1.__assign)({ textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
221
+ .apply(transforms_1.StateTransforms.Representation.StructureSelectionsLabel3D, tslib_1.__assign(tslib_1.__assign({ textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
222
222
  state = this.plugin.state.data;
223
223
  return [4 /*yield*/, commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: update, options: { doNotLogTiming: true } })];
224
224
  case 1:
@@ -229,9 +229,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
229
229
  });
230
230
  };
231
231
  StructureMeasurementManager.prototype.addOrientation = function (locis) {
232
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
232
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
233
233
  var selections, dependsOn, i, il, l, cell, update, state;
234
- return (0, tslib_1.__generator)(this, function (_a) {
234
+ return tslib_1.__generator(this, function (_a) {
235
235
  switch (_a.label) {
236
236
  case 0:
237
237
  selections = [];
@@ -264,9 +264,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
264
264
  });
265
265
  };
266
266
  StructureMeasurementManager.prototype.addPlane = function (locis) {
267
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
267
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
268
268
  var selections, dependsOn, i, il, l, cell, update, state;
269
- return (0, tslib_1.__generator)(this, function (_a) {
269
+ return tslib_1.__generator(this, function (_a) {
270
270
  switch (_a.label) {
271
271
  case 0:
272
272
  selections = [];
@@ -299,9 +299,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
299
299
  });
300
300
  };
301
301
  StructureMeasurementManager.prototype.addOrderLabels = function (locis) {
302
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
302
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
303
303
  var update, current, _i, current_1, obj, order, _a, locis_1, loci, cell, dependsOn, state;
304
- return (0, tslib_1.__generator)(this, function (_b) {
304
+ return tslib_1.__generator(this, function (_b) {
305
305
  switch (_b.label) {
306
306
  case 0:
307
307
  update = this.getGroup();
@@ -24,7 +24,7 @@ var util_1 = require("../../../mol-data/util");
24
24
  var boundaryHelper = new boundary_helper_1.BoundaryHelper('98');
25
25
  var HISTORY_CAPACITY = 24;
26
26
  var StructureSelectionManager = /** @class */ (function (_super) {
27
- (0, tslib_1.__extends)(StructureSelectionManager, _super);
27
+ tslib_1.__extends(StructureSelectionManager, _super);
28
28
  function StructureSelectionManager(plugin) {
29
29
  var _this = _super.call(this, { entries: new Map(), additionsHistory: [], stats: SelectionStats() }) || this;
30
30
  _this.plugin = plugin;
@@ -464,9 +464,9 @@ var StructureSelectionManager = /** @class */ (function (_super) {
464
464
  StructureSelectionManager.prototype.fromSelectionQuery = function (modifier, query, applyGranularity) {
465
465
  var _this = this;
466
466
  if (applyGranularity === void 0) { applyGranularity = true; }
467
- this.plugin.runTask(mol_task_1.Task.create('Structure Selection', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
467
+ this.plugin.runTask(mol_task_1.Task.create('Structure Selection', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
468
468
  var _i, _a, s, loci;
469
- return (0, tslib_1.__generator)(this, function (_b) {
469
+ return tslib_1.__generator(this, function (_b) {
470
470
  switch (_b.label) {
471
471
  case 0:
472
472
  _i = 0, _a = this.applicableStructures;
@@ -13,7 +13,7 @@ var hierarchy_state_1 = require("./hierarchy-state");
13
13
  var volume_representation_params_1 = require("../../helpers/volume-representation-params");
14
14
  var transforms_1 = require("../../transforms");
15
15
  var VolumeHierarchyManager = /** @class */ (function (_super) {
16
- (0, tslib_1.__extends)(VolumeHierarchyManager, _super);
16
+ tslib_1.__extends(VolumeHierarchyManager, _super);
17
17
  function VolumeHierarchyManager(plugin) {
18
18
  var _this = _super.call(this) || this;
19
19
  _this.plugin = plugin;
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -23,6 +23,8 @@ import { CubeFile } from '../mol-io/reader/cube/parser';
23
23
  import { DxFile } from '../mol-io/reader/dx/parser';
24
24
  import { Color } from '../mol-util/color/color';
25
25
  import { Asset } from '../mol-util/assets';
26
+ import { PrmtopFile } from '../mol-io/reader/prmtop/parser';
27
+ import { TopFile } from '../mol-io/reader/top/parser';
26
28
  export declare type TypeClass = 'root' | 'data' | 'prop';
27
29
  export declare namespace PluginStateObject {
28
30
  export type Any = StateObject<any, TypeInfo>;
@@ -313,6 +315,50 @@ export declare namespace PluginStateObject {
313
315
  };
314
316
  export class Psf extends Psf_base {
315
317
  }
318
+ const Prmtop_base: {
319
+ new (data: PrmtopFile, props?: {
320
+ label: string;
321
+ description?: string | undefined;
322
+ } | undefined): {
323
+ id: import("../mol-util/uuid").UUID;
324
+ type: TypeInfo;
325
+ label: string;
326
+ description?: string | undefined;
327
+ data: PrmtopFile;
328
+ };
329
+ type: TypeInfo;
330
+ is(obj?: StateObject<any, StateObject.Type<any>> | undefined): obj is {
331
+ id: import("../mol-util/uuid").UUID;
332
+ type: TypeInfo;
333
+ label: string;
334
+ description?: string | undefined;
335
+ data: PrmtopFile;
336
+ };
337
+ };
338
+ export class Prmtop extends Prmtop_base {
339
+ }
340
+ const Top_base: {
341
+ new (data: TopFile, props?: {
342
+ label: string;
343
+ description?: string | undefined;
344
+ } | undefined): {
345
+ id: import("../mol-util/uuid").UUID;
346
+ type: TypeInfo;
347
+ label: string;
348
+ description?: string | undefined;
349
+ data: TopFile;
350
+ };
351
+ type: TypeInfo;
352
+ is(obj?: StateObject<any, StateObject.Type<any>> | undefined): obj is {
353
+ id: import("../mol-util/uuid").UUID;
354
+ type: TypeInfo;
355
+ label: string;
356
+ description?: string | undefined;
357
+ data: TopFile;
358
+ };
359
+ };
360
+ export class Top extends Top_base {
361
+ }
316
362
  const Ply_base: {
317
363
  new (data: PlyFile, props?: {
318
364
  label: string;