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
@@ -0,0 +1,16 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { TopFile } from '../../mol-io/reader/top/parser';
7
+ import { Topology } from '../../mol-model/structure/topology/topology';
8
+ import { Task } from '../../mol-task';
9
+ import { ModelFormat } from '../format';
10
+ export { TopFormat };
11
+ declare type TopFormat = ModelFormat<TopFile>;
12
+ declare namespace TopFormat {
13
+ function is(x?: ModelFormat): x is TopFormat;
14
+ function fromTop(top: TopFile): TopFormat;
15
+ }
16
+ export declare function topologyFromTop(top: TopFile): Task<Topology>;
@@ -0,0 +1,186 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { __awaiter, __generator } from "tslib";
7
+ import { Column, Table } from '../../mol-data/db';
8
+ import { getMoleculeType } from '../../mol-model/structure/model/types';
9
+ import { Topology } from '../../mol-model/structure/topology/topology';
10
+ import { Task } from '../../mol-task';
11
+ import { BasicSchema, createBasic } from './basic/schema';
12
+ import { ComponentBuilder } from './common/component';
13
+ import { EntityBuilder } from './common/entity';
14
+ import { getChainId } from './common/util';
15
+ import { guessElementSymbolString } from './util';
16
+ function getBasic(top) {
17
+ var molecules = top.molecules, compounds = top.compounds;
18
+ var singleResidue = {};
19
+ var atomCount = 0;
20
+ for (var i = 0, il = molecules._rowCount; i < il; ++i) {
21
+ var mol = molecules.compound.value(i);
22
+ var count = molecules.molCount.value(i);
23
+ var atoms = compounds[mol].atoms;
24
+ Column.asArrayColumn(atoms.atom);
25
+ Column.asArrayColumn(atoms.resnr);
26
+ Column.asArrayColumn(atoms.residu);
27
+ atomCount += count * atoms._rowCount;
28
+ var prevResnr = atoms.resnr.value(0);
29
+ singleResidue[mol] = true;
30
+ for (var j = 1, jl = atoms._rowCount; j < jl; ++j) {
31
+ var resnr = atoms.resnr.value(j);
32
+ if (resnr !== prevResnr) {
33
+ singleResidue[mol] = false;
34
+ break;
35
+ }
36
+ prevResnr = resnr;
37
+ }
38
+ }
39
+ //
40
+ var atomNames = new Array(atomCount);
41
+ var residueIds = new Uint32Array(atomCount);
42
+ var residueNames = new Array(atomCount);
43
+ var k = 0;
44
+ for (var i = 0, il = molecules._rowCount; i < il; ++i) {
45
+ var mol = molecules.compound.value(i);
46
+ var count = molecules.molCount.value(i);
47
+ var atoms = compounds[mol].atoms;
48
+ var isSingleResidue = singleResidue[mol];
49
+ for (var j = 0; j < count; ++j) {
50
+ for (var l = 0, ll = atoms._rowCount; l < ll; ++l) {
51
+ atomNames[k] = atoms.atom.value(l);
52
+ residueIds[k] = atoms.resnr.value(l);
53
+ residueNames[k] = atoms.residu.value(l);
54
+ if (isSingleResidue)
55
+ residueIds[k] += j;
56
+ k += 1;
57
+ }
58
+ }
59
+ }
60
+ var atomName = Column.ofStringArray(atomNames);
61
+ var residueId = Column.ofIntArray(residueIds);
62
+ var residueName = Column.ofStringArray(residueNames);
63
+ //
64
+ var entityIds = new Array(atomCount);
65
+ var asymIds = new Array(atomCount);
66
+ var seqIds = new Uint32Array(atomCount);
67
+ var ids = new Uint32Array(atomCount);
68
+ var entityBuilder = new EntityBuilder();
69
+ var componentBuilder = new ComponentBuilder(residueId, atomName);
70
+ var currentEntityId = '';
71
+ var currentAsymIndex = 0;
72
+ var currentAsymId = '';
73
+ var currentSeqId = 0;
74
+ var prevMoleculeType = 0 /* Unknown */;
75
+ var prevResidueNumber = -1;
76
+ for (var i = 0, il = atomCount; i < il; ++i) {
77
+ var residueNumber = residueId.value(i);
78
+ if (residueNumber !== prevResidueNumber) {
79
+ var compId = residueName.value(i);
80
+ var moleculeType = getMoleculeType(componentBuilder.add(compId, i).type, compId);
81
+ if (moleculeType !== prevMoleculeType) {
82
+ currentAsymId = getChainId(currentAsymIndex);
83
+ currentAsymIndex += 1;
84
+ currentSeqId = 0;
85
+ }
86
+ currentEntityId = entityBuilder.getEntityId(compId, moleculeType, currentAsymId);
87
+ currentSeqId += 1;
88
+ prevResidueNumber = residueNumber;
89
+ prevMoleculeType = moleculeType;
90
+ }
91
+ entityIds[i] = currentEntityId;
92
+ asymIds[i] = currentAsymId;
93
+ seqIds[i] = currentSeqId;
94
+ ids[i] = i;
95
+ }
96
+ var id = Column.ofIntArray(ids);
97
+ var asym_id = Column.ofStringArray(asymIds);
98
+ //
99
+ var type_symbol = new Array(atomCount);
100
+ for (var i = 0; i < atomCount; ++i) {
101
+ type_symbol[i] = guessElementSymbolString(atomName.value(i), residueName.value(i));
102
+ }
103
+ var atom_site = Table.ofPartialColumns(BasicSchema.atom_site, {
104
+ auth_asym_id: asym_id,
105
+ auth_atom_id: Column.asArrayColumn(atomName),
106
+ auth_comp_id: residueName,
107
+ auth_seq_id: residueId,
108
+ id: Column.asArrayColumn(id),
109
+ label_asym_id: asym_id,
110
+ label_atom_id: Column.asArrayColumn(atomName),
111
+ label_comp_id: residueName,
112
+ label_seq_id: Column.ofIntArray(seqIds),
113
+ label_entity_id: Column.ofStringArray(entityIds),
114
+ occupancy: Column.ofConst(1, atomCount, Column.Schema.float),
115
+ type_symbol: Column.ofStringArray(type_symbol),
116
+ pdbx_PDB_model_num: Column.ofConst(1, atomCount, Column.Schema.int),
117
+ }, atomCount);
118
+ var basic = createBasic({
119
+ entity: entityBuilder.getEntityTable(),
120
+ chem_comp: componentBuilder.getChemCompTable(),
121
+ atom_site: atom_site
122
+ });
123
+ return basic;
124
+ }
125
+ function getBonds(top) {
126
+ var molecules = top.molecules, compounds = top.compounds;
127
+ var indexA = [];
128
+ var indexB = [];
129
+ var atomOffset = 0;
130
+ for (var i = 0, il = molecules._rowCount; i < il; ++i) {
131
+ var mol = molecules.compound.value(i);
132
+ var count = molecules.molCount.value(i);
133
+ var _a = compounds[mol], atoms = _a.atoms, bonds = _a.bonds;
134
+ if (bonds) {
135
+ for (var j = 0; j < count; ++j) {
136
+ for (var l = 0, ll = bonds._rowCount; l < ll; ++l) {
137
+ indexA.push(bonds.ai.value(l) - 1 + atomOffset);
138
+ indexB.push(bonds.aj.value(l) - 1 + atomOffset);
139
+ }
140
+ atomOffset += atoms._rowCount;
141
+ }
142
+ }
143
+ else if (mol === 'TIP3') {
144
+ for (var j = 0; j < count; ++j) {
145
+ indexA.push(0 + atomOffset);
146
+ indexB.push(1 + atomOffset);
147
+ indexA.push(0 + atomOffset);
148
+ indexB.push(2 + atomOffset);
149
+ atomOffset += atoms._rowCount;
150
+ }
151
+ }
152
+ else {
153
+ atomOffset += count * atoms._rowCount;
154
+ }
155
+ }
156
+ return {
157
+ indexA: Column.ofIntArray(indexA),
158
+ indexB: Column.ofIntArray(indexB),
159
+ order: Column.ofConst(1, indexA.length, Column.Schema.int)
160
+ };
161
+ }
162
+ //
163
+ export { TopFormat };
164
+ var TopFormat;
165
+ (function (TopFormat) {
166
+ function is(x) {
167
+ return (x === null || x === void 0 ? void 0 : x.kind) === 'top';
168
+ }
169
+ TopFormat.is = is;
170
+ function fromTop(top) {
171
+ return { kind: 'top', name: top.system || 'TOP', data: top };
172
+ }
173
+ TopFormat.fromTop = fromTop;
174
+ })(TopFormat || (TopFormat = {}));
175
+ export function topologyFromTop(top) {
176
+ var _this = this;
177
+ return Task.create('Parse TOP', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
178
+ var format, basic, bonds;
179
+ return __generator(this, function (_a) {
180
+ format = TopFormat.fromTop(top);
181
+ basic = getBasic(top);
182
+ bonds = getBonds(top);
183
+ return [2 /*return*/, Topology.create(top.system || 'TOP', basic, bonds, format)];
184
+ });
185
+ }); });
186
+ }
@@ -0,0 +1,9 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { Task } from '../../mol-task';
7
+ import { TrrFile } from '../../mol-io/reader/trr/parser';
8
+ import { Coordinates } from '../../mol-model/structure/coordinates';
9
+ export declare function coordinatesFromTrr(file: TrrFile): Task<Coordinates>;
@@ -0,0 +1,42 @@
1
+ /**
2
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ *
4
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
+ */
6
+ import { __awaiter, __generator } from "tslib";
7
+ import { Task } from '../../mol-task';
8
+ import { Coordinates, Time } from '../../mol-model/structure/coordinates';
9
+ import { Cell } from '../../mol-math/geometry/spacegroup/cell';
10
+ import { Vec3 } from '../../mol-math/linear-algebra';
11
+ export function coordinatesFromTrr(file) {
12
+ var _this = this;
13
+ return Task.create('Parse TRR', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
14
+ var deltaTime, offsetTime, frames, i, il, box, x, y, z;
15
+ return __generator(this, function (_a) {
16
+ switch (_a.label) {
17
+ case 0: return [4 /*yield*/, ctx.update('Converting to coordinates')];
18
+ case 1:
19
+ _a.sent();
20
+ deltaTime = Time(file.deltaTime, 'step');
21
+ offsetTime = Time(file.timeOffset, deltaTime.unit);
22
+ frames = [];
23
+ for (i = 0, il = file.frames.length; i < il; ++i) {
24
+ box = file.boxes[i];
25
+ x = Vec3.fromArray(Vec3(), box, 0);
26
+ y = Vec3.fromArray(Vec3(), box, 3);
27
+ z = Vec3.fromArray(Vec3(), box, 6);
28
+ frames.push({
29
+ elementCount: file.frames[i].count,
30
+ cell: Cell.fromBasis(x, y, z),
31
+ x: file.frames[i].x,
32
+ y: file.frames[i].y,
33
+ z: file.frames[i].z,
34
+ xyzOrdering: { isIdentity: true },
35
+ time: Time(offsetTime.value + deltaTime.value * i, deltaTime.unit)
36
+ });
37
+ }
38
+ return [2 /*return*/, Coordinates.create(frames, deltaTime, offsetTime)];
39
+ }
40
+ });
41
+ }); });
42
+ }
@@ -1,8 +1,8 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
6
6
  import { Tokens } from '../../mol-io/reader/common/text/tokenizer';
7
7
  export declare function guessElementSymbolTokens(tokens: Tokens, str: string, start: number, end: number): void;
8
- export declare function guessElementSymbolString(str: string): string;
8
+ export declare function guessElementSymbolString(atomId: string, compId: string): string;
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -40,34 +40,33 @@ export function guessElementSymbolTokens(tokens, str, start, end) {
40
40
  return TokenBuilder.add(tokens, s, s + 1);
41
41
  TokenBuilder.add(tokens, s, s); // no reasonable guess, add empty token
42
42
  }
43
+ var TwoCharElementNames = new Set(['NA', 'CL', 'FE', 'SI', 'BR', 'AS']);
44
+ var OneCharElementNames = new Set(['C', 'H', 'N', 'O', 'P', 'S']);
43
45
  var reTrimSpacesAndNumbers = /^[\s\d]+|[\s\d]+$/g;
44
- export function guessElementSymbolString(str) {
46
+ export function guessElementSymbolString(atomId, compId) {
45
47
  // trim spaces and numbers, convert to upper case
46
- str = str.replace(reTrimSpacesAndNumbers, '').toUpperCase();
47
- var l = str.length;
48
+ atomId = atomId.replace(reTrimSpacesAndNumbers, '').toUpperCase();
49
+ var l = atomId.length;
48
50
  if (l === 0)
49
- return str; // empty
51
+ return atomId; // empty
50
52
  if (l === 1)
51
- return str; // one char
52
- if (l === 2) { // two chars
53
- if (str === 'NA' || str === 'CL' || str === 'FE' || str === 'SI' ||
54
- str === 'BR' || str === 'AS')
55
- return str;
56
- }
57
- if (l === 3) { // three chars
58
- if (str === 'SOD')
53
+ return atomId; // one char
54
+ if (TwoCharElementNames.has(atomId))
55
+ return atomId; // two chars
56
+ // check for Charmm ion names where component and atom id are the same
57
+ if (l === 3 && compId === atomId) {
58
+ if (atomId === 'SOD')
59
59
  return 'NA';
60
- if (str === 'POT')
60
+ if (atomId === 'POT')
61
61
  return 'K';
62
- if (str === 'CES')
62
+ if (atomId === 'CES')
63
63
  return 'CS';
64
- if (str === 'CAL')
64
+ if (atomId === 'CAL')
65
65
  return 'CA';
66
- if (str === 'CLA')
66
+ if (atomId === 'CLA')
67
67
  return 'CL';
68
68
  }
69
- var c = str[0];
70
- if (c === 'C' || c === 'H' || c === 'N' || c === 'O' || c === 'P' || c === 'S')
71
- return c;
69
+ if (OneCharElementNames.has(atomId[0]))
70
+ return atomId[0];
72
71
  return ''; // no reasonable guess, return empty string
73
72
  }
@@ -63,12 +63,12 @@ function getModels(mol, ctx) {
63
63
  var componentBuilder = new ComponentBuilder(seq_id, type_symbol);
64
64
  componentBuilder.setNames([['MOL', 'Unknown Molecule']]);
65
65
  componentBuilder.add('MOL', 0);
66
- var basics = createBasic({
66
+ var basic = createBasic({
67
67
  entity: entityBuilder.getEntityTable(),
68
68
  chem_comp: componentBuilder.getChemCompTable(),
69
69
  atom_site: atom_site
70
70
  });
71
- return createModels(basics, XyzFormat.create(mol), ctx);
71
+ return createModels(basic, XyzFormat.create(mol), ctx);
72
72
  }
73
73
  //
74
74
  export { XyzFormat };
@@ -73,9 +73,15 @@ function createInterUnitInteractionCylinderMesh(ctx, structure, theme, props, me
73
73
  return false;
74
74
  }
75
75
  };
76
- var m = createLinkCylinderMesh(ctx, builderProps, props, mesh);
77
- var sphere = Sphere3D.expand(Sphere3D(), (child !== null && child !== void 0 ? child : structure).boundary.sphere, 1 * sizeFactor);
78
- m.setBoundingSphere(sphere);
76
+ var _a = createLinkCylinderMesh(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
77
+ if (boundingSphere) {
78
+ m.setBoundingSphere(boundingSphere);
79
+ }
80
+ else if (m.triangleCount > 0) {
81
+ var child_1 = structure.child;
82
+ var sphere = Sphere3D.expand(Sphere3D(), (child_1 !== null && child_1 !== void 0 ? child_1 : structure).boundary.sphere, 1 * sizeFactor);
83
+ m.setBoundingSphere(sphere);
84
+ }
79
85
  return m;
80
86
  }
81
87
  export var InteractionsInterUnitParams = __assign(__assign(__assign({}, ComplexMeshParams), LinkCylinderParams), { sizeFactor: PD.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: PD.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: PD.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: PD.Boolean(false) });
@@ -18,8 +18,8 @@ import { Interactions } from '../interactions/interactions';
18
18
  import { Sphere3D } from '../../../mol-math/geometry';
19
19
  function createIntraUnitInteractionsCylinderMesh(ctx, unit, structure, theme, props, mesh) {
20
20
  return __awaiter(this, void 0, void 0, function () {
21
- var child, childUnit, location, interactions, features, contacts, x, y, z, members, offsets, edgeCount, a, b, flag, sizeFactor, builderProps, m, sphere;
22
- return __generator(this, function (_a) {
21
+ var child, childUnit, location, interactions, features, contacts, x, y, z, members, offsets, edgeCount, a, b, flag, sizeFactor, builderProps, _a, m, boundingSphere, sphere;
22
+ return __generator(this, function (_b) {
23
23
  if (!Unit.isAtomic(unit))
24
24
  return [2 /*return*/, Mesh.createEmpty(mesh)];
25
25
  child = structure.child;
@@ -63,9 +63,14 @@ function createIntraUnitInteractionsCylinderMesh(ctx, unit, structure, theme, pr
63
63
  return false;
64
64
  }
65
65
  };
66
- m = createLinkCylinderMesh(ctx, builderProps, props, mesh);
67
- sphere = Sphere3D.expand(Sphere3D(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * sizeFactor);
68
- m.setBoundingSphere(sphere);
66
+ _a = createLinkCylinderMesh(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
67
+ if (boundingSphere) {
68
+ m.setBoundingSphere(boundingSphere);
69
+ }
70
+ else if (m.triangleCount > 0) {
71
+ sphere = Sphere3D.expand(Sphere3D(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * sizeFactor);
72
+ m.setBoundingSphere(sphere);
73
+ }
69
74
  return [2 /*return*/, m];
70
75
  });
71
76
  });
@@ -15,6 +15,7 @@ import { createLinkCylinderMesh, LinkCylinderParams } from '../../../mol-repr/st
15
15
  import { ComplexMeshParams, ComplexMeshVisual } from '../../../mol-repr/structure/complex-visual';
16
16
  import { ComplexRepresentation, StructureRepresentationStateBuilder, StructureRepresentationProvider } from '../../../mol-repr/structure/representation';
17
17
  import { CrossLinkRestraintProvider, CrossLinkRestraint } from './property';
18
+ import { Sphere3D } from '../../../mol-math/geometry';
18
19
  function createCrossLinkRestraintCylinderMesh(ctx, structure, theme, props, mesh) {
19
20
  var crossLinks = CrossLinkRestraintProvider.get(structure).value;
20
21
  if (!crossLinks.count)
@@ -36,7 +37,15 @@ function createCrossLinkRestraintCylinderMesh(ctx, structure, theme, props, mesh
36
37
  return theme.size.size(location) * sizeFactor;
37
38
  },
38
39
  };
39
- return createLinkCylinderMesh(ctx, builderProps, props, mesh);
40
+ var _a = createLinkCylinderMesh(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
41
+ if (boundingSphere) {
42
+ m.setBoundingSphere(boundingSphere);
43
+ }
44
+ else if (m.triangleCount > 0) {
45
+ var sphere = Sphere3D.expand(Sphere3D(), structure.boundary.sphere, 1 * sizeFactor);
46
+ m.setBoundingSphere(sphere);
47
+ }
48
+ return m;
40
49
  }
41
50
  export var CrossLinkRestraintCylinderParams = __assign(__assign(__assign({}, ComplexMeshParams), LinkCylinderParams), { sizeFactor: PD.Numeric(0.5, { min: 0, max: 10, step: 0.1 }) });
42
51
  export function CrossLinkRestraintVisual(materialId) {
@@ -9,12 +9,12 @@ import { Volume } from '../../../../mol-model/volume';
9
9
  import { Structure } from '../../../../mol-model/structure';
10
10
  declare const VolumeServerInfo_base: {
11
11
  new (data: VolumeServerInfo.Data, props?: {
12
- label: string; /** Precision data the server can show. */
12
+ /** Precision data the server can show. */
13
+ label: string;
13
14
  description?: string | undefined;
14
15
  } | undefined): {
15
16
  id: import("../../../../mol-util/uuid").UUID;
16
17
  type: PluginStateObject.TypeInfo;
17
- /** The value are stored in blockSize^3 cubes */
18
18
  label: string;
19
19
  description?: string | undefined;
20
20
  data: VolumeServerInfo.Data;
@@ -23,7 +23,6 @@ declare const VolumeServerInfo_base: {
23
23
  is(obj?: import("../../../../mol-state/object").StateObject<any, import("../../../../mol-state/object").StateObject.Type<any>> | undefined): obj is {
24
24
  id: import("../../../../mol-util/uuid").UUID;
25
25
  type: PluginStateObject.TypeInfo;
26
- /** The value are stored in blockSize^3 cubes */
27
26
  label: string;
28
27
  description?: string | undefined;
29
28
  data: VolumeServerInfo.Data;
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2021 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>
@@ -143,6 +143,7 @@ export declare class PluginContext {
143
143
  readonly customModelProperties: CustomProperty.Registry<Model>;
144
144
  readonly customStructureProperties: CustomProperty.Registry<Structure>;
145
145
  readonly customStructureControls: Map<string, new () => any>;
146
+ readonly customImportControls: Map<string, new () => any>;
146
147
  readonly genericRepresentationControls: Map<string, (selection: StructureHierarchyManager['selection']) => [StructureHierarchyRef[], string]>;
147
148
  /**
148
149
  * Used to store application specific custom state which is then available
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2021 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>
@@ -156,6 +156,7 @@ var PluginContext = /** @class */ (function () {
156
156
  this.customModelProperties = new CustomProperty.Registry();
157
157
  this.customStructureProperties = new CustomProperty.Registry();
158
158
  this.customStructureControls = new Map();
159
+ this.customImportControls = new Map();
159
160
  this.genericRepresentationControls = new Map();
160
161
  /**
161
162
  * Used to store application specific custom state which is then available
@@ -291,8 +292,8 @@ var PluginContext = /** @class */ (function () {
291
292
  this.state.dispose();
292
293
  this.managers.task.dispose();
293
294
  this.helpers.substructureParent.dispose();
294
- objectForEach(this.managers, function (m) { var _a, _b; return (_b = (_a = m) === null || _a === void 0 ? void 0 : _a.dispose) === null || _b === void 0 ? void 0 : _b.call(_a); });
295
- objectForEach(this.managers.structure, function (m) { var _a, _b; return (_b = (_a = m) === null || _a === void 0 ? void 0 : _a.dispose) === null || _b === void 0 ? void 0 : _b.call(_a); });
295
+ objectForEach(this.managers, function (m) { var _a; return (_a = m === null || m === void 0 ? void 0 : m.dispose) === null || _a === void 0 ? void 0 : _a.call(m); });
296
+ objectForEach(this.managers.structure, function (m) { var _a; return (_a = m === null || m === void 0 ? void 0 : m.dispose) === null || _a === void 0 ? void 0 : _a.call(m); });
296
297
  this.disposed = true;
297
298
  };
298
299
  PluginContext.prototype.initBehaviorEvents = function () {
@@ -33,10 +33,10 @@ var PluginSpec;
33
33
  export var DefaultPluginSpec = function () { return ({
34
34
  actions: [
35
35
  PluginSpec.Action(StateActions.Structure.DownloadStructure),
36
- PluginSpec.Action(StateActions.Structure.AddTrajectory),
37
36
  PluginSpec.Action(StateActions.Volume.DownloadDensity),
38
37
  PluginSpec.Action(StateActions.DataFormat.DownloadFile),
39
38
  PluginSpec.Action(StateActions.DataFormat.OpenFiles),
39
+ PluginSpec.Action(StateActions.Structure.LoadTrajectory),
40
40
  PluginSpec.Action(StateActions.Structure.EnableModelCustomProps),
41
41
  PluginSpec.Action(StateActions.Structure.EnableStructureCustomProps),
42
42
  // Volume streaming
@@ -1,2 +1,2 @@
1
- export var PLUGIN_VERSION = '3.3.0';
2
- export var PLUGIN_VERSION_DATE = new Date(typeof __MOLSTAR_DEBUG_TIMESTAMP__ !== 'undefined' ? __MOLSTAR_DEBUG_TIMESTAMP__ : 1645995676444);
1
+ export var PLUGIN_VERSION = '3.5.0';
2
+ export var PLUGIN_VERSION_DATE = new Date(typeof __MOLSTAR_DEBUG_TIMESTAMP__ !== 'undefined' ? __MOLSTAR_DEBUG_TIMESTAMP__ : 1648212519420);
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */