molstar 3.8.2 → 3.10.0

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 (596) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -202
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +109 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/viewer/app.d.ts +5 -2
  8. package/lib/apps/viewer/app.js +11 -7
  9. package/lib/apps/viewer/embedded.html +43 -43
  10. package/lib/apps/viewer/index.html +109 -106
  11. package/lib/cli/cif2bcif/converter.js +1 -1
  12. package/lib/commonjs/apps/viewer/app.d.ts +5 -2
  13. package/lib/commonjs/apps/viewer/app.js +12 -7
  14. package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
  15. package/lib/commonjs/examples/alpha-orbitals/index.d.ts +1 -1
  16. package/lib/commonjs/examples/alpha-orbitals/index.js +4 -1
  17. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +1 -1
  18. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +3 -3
  19. package/lib/commonjs/extensions/alpha-orbitals/density.d.ts +1 -1
  20. package/lib/commonjs/extensions/alpha-orbitals/density.js +6 -2
  21. package/lib/commonjs/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  22. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +6 -3
  23. package/lib/commonjs/extensions/anvil/algorithm.js +1 -1
  24. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  25. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  26. package/lib/commonjs/extensions/cellpack/state.js +1 -1
  27. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +1 -1
  28. package/lib/commonjs/extensions/g3d/model.js +1 -1
  29. package/lib/commonjs/extensions/geo-export/ui.js +1 -0
  30. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
  31. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
  32. package/lib/commonjs/extensions/mp4-export/ui.js +1 -0
  33. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +1 -1
  34. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +4 -4
  35. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +1 -1
  36. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
  37. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
  38. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  39. package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
  40. package/lib/commonjs/mol-canvas3d/controls/trackball.js +7 -7
  41. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +14 -14
  42. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +5 -5
  43. package/lib/commonjs/mol-canvas3d/passes/draw.js +34 -5
  44. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +5 -0
  45. package/lib/commonjs/mol-canvas3d/passes/marking.js +5 -0
  46. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +9 -0
  47. package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +18 -5
  48. package/lib/commonjs/mol-canvas3d/passes/pick.js +125 -24
  49. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +5 -0
  50. package/lib/commonjs/mol-canvas3d/passes/smaa.js +4 -0
  51. package/lib/commonjs/mol-canvas3d/passes/wboit.js +4 -0
  52. package/lib/commonjs/mol-data/db/column.js +5 -5
  53. package/lib/commonjs/mol-data/db/table.js +2 -2
  54. package/lib/commonjs/mol-data/util/array.d.ts +1 -1
  55. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
  56. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  57. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  58. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
  59. package/lib/commonjs/mol-gl/compute/grid3d.d.ts +2 -2
  60. package/lib/commonjs/mol-gl/compute/grid3d.js +30 -8
  61. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
  62. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
  63. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
  64. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +6 -1
  65. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
  66. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
  67. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
  68. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -10
  69. package/lib/commonjs/mol-gl/renderer.js +77 -32
  70. package/lib/commonjs/mol-gl/scene.js +2 -0
  71. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  72. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  73. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  74. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  75. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  76. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  77. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  78. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  79. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  80. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  81. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  82. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  83. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  84. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  85. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +1 -1
  86. package/lib/commonjs/mol-gl/shader/lines.frag.js +1 -1
  87. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  88. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  89. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +1 -1
  90. package/lib/commonjs/mol-gl/shader/points.frag.js +1 -1
  91. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  92. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  93. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +1 -1
  94. package/lib/commonjs/mol-gl/shader/text.frag.js +1 -1
  95. package/lib/commonjs/mol-gl/shader-code.d.ts +1 -1
  96. package/lib/commonjs/mol-gl/shader-code.js +41 -9
  97. package/lib/commonjs/mol-gl/webgl/compat.d.ts +34 -1
  98. package/lib/commonjs/mol-gl/webgl/compat.js +50 -2
  99. package/lib/commonjs/mol-gl/webgl/context.d.ts +2 -0
  100. package/lib/commonjs/mol-gl/webgl/context.js +3 -0
  101. package/lib/commonjs/mol-gl/webgl/extensions.d.ts +3 -2
  102. package/lib/commonjs/mol-gl/webgl/extensions.js +6 -1
  103. package/lib/commonjs/mol-gl/webgl/timer.d.ts +22 -0
  104. package/lib/commonjs/mol-gl/webgl/timer.js +169 -0
  105. package/lib/commonjs/mol-io/common/binary-cif/array-encoder.js +18 -18
  106. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +16 -16
  107. package/lib/commonjs/mol-io/common/binary-cif/encoding.js +9 -9
  108. package/lib/commonjs/mol-io/reader/cif/binary/field.js +3 -3
  109. package/lib/commonjs/mol-io/reader/cif/data-model.js +14 -14
  110. package/lib/commonjs/mol-io/reader/cif/schema.js +1 -1
  111. package/lib/commonjs/mol-io/reader/cif/text/parser.js +23 -23
  112. package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +1 -1
  113. package/lib/commonjs/mol-io/reader/common/text/column/token.js +1 -1
  114. package/lib/commonjs/mol-io/reader/common/text/number-parser.js +6 -6
  115. package/lib/commonjs/mol-io/reader/csv/parser.js +8 -8
  116. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +10 -10
  117. package/lib/commonjs/mol-io/writer/cif/encoder/text.js +7 -7
  118. package/lib/commonjs/mol-io/writer/cif/encoder.js +8 -8
  119. package/lib/commonjs/mol-io/writer/mol2/encoder.js +4 -4
  120. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +13 -2
  121. package/lib/commonjs/mol-model/sequence/alignment/sequence.js +3 -3
  122. package/lib/commonjs/mol-model/sequence/sequence.js +9 -9
  123. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
  124. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  125. package/lib/commonjs/mol-model/structure/export/categories/utils.js +1 -1
  126. package/lib/commonjs/mol-model/structure/model/model.js +2 -2
  127. package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js +6 -6
  128. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
  129. package/lib/commonjs/mol-model/structure/model/types.js +116 -116
  130. package/lib/commonjs/mol-model/structure/query/context.js +1 -1
  131. package/lib/commonjs/mol-model/structure/query/queries/generators.js +5 -5
  132. package/lib/commonjs/mol-model/structure/query/queries/internal.js +4 -4
  133. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +4 -4
  134. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  135. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +9 -9
  136. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +3 -1
  137. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +192 -108
  138. package/lib/commonjs/mol-model/structure/structure/element/loci.js +5 -5
  139. package/lib/commonjs/mol-model/structure/structure/element/stats.js +5 -5
  140. package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
  141. package/lib/commonjs/mol-model/structure/structure/structure.js +11 -11
  142. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
  143. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
  144. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +2 -2
  145. package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +1 -1
  146. package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +6 -6
  147. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +6 -6
  148. package/lib/commonjs/mol-model/structure/structure/unit.js +16 -16
  149. package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
  150. package/lib/commonjs/mol-model/structure/util.js +4 -4
  151. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -2
  152. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +4 -4
  153. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +1 -1
  154. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +1 -1
  155. package/lib/commonjs/mol-model-formats/structure/basic/util.js +1 -1
  156. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  157. package/lib/commonjs/mol-model-formats/structure/common/entity.js +1 -1
  158. package/lib/commonjs/mol-model-formats/structure/cube.js +1 -1
  159. package/lib/commonjs/mol-model-formats/structure/gro.js +1 -1
  160. package/lib/commonjs/mol-model-formats/structure/mol.js +1 -1
  161. package/lib/commonjs/mol-model-formats/structure/mol2.js +4 -4
  162. package/lib/commonjs/mol-model-formats/structure/prmtop.js +1 -1
  163. package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
  164. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  165. package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
  166. package/lib/commonjs/mol-model-formats/structure/property/secondary-structure.js +8 -8
  167. package/lib/commonjs/mol-model-formats/structure/psf.js +1 -1
  168. package/lib/commonjs/mol-model-formats/structure/top.js +1 -1
  169. package/lib/commonjs/mol-model-formats/structure/xyz.js +1 -1
  170. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
  171. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
  172. package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +2 -2
  173. package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +31 -31
  174. package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +22 -22
  175. package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +32 -32
  176. package/lib/commonjs/mol-model-props/computed/interactions/charged.js +39 -39
  177. package/lib/commonjs/mol-model-props/computed/interactions/common.js +34 -34
  178. package/lib/commonjs/mol-model-props/computed/interactions/contacts-builder.js +1 -1
  179. package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
  180. package/lib/commonjs/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
  181. package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
  182. package/lib/commonjs/mol-model-props/computed/interactions/hydrophobic.js +9 -9
  183. package/lib/commonjs/mol-model-props/computed/interactions/metal.js +26 -26
  184. package/lib/commonjs/mol-model-props/computed/interactions/refine.js +20 -20
  185. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  186. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  187. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
  188. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
  189. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
  190. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
  191. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
  192. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
  193. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +30 -30
  194. package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
  195. package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +10 -10
  196. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
  197. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
  198. package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +1 -1
  199. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
  200. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -1
  201. package/lib/commonjs/mol-plugin/animation-loop.js +18 -5
  202. package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +12 -12
  203. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +7 -7
  204. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  205. package/lib/commonjs/mol-plugin/config.d.ts +3 -0
  206. package/lib/commonjs/mol-plugin/config.js +3 -1
  207. package/lib/commonjs/mol-plugin/context.d.ts +2 -2
  208. package/lib/commonjs/mol-plugin/context.js +3 -0
  209. package/lib/commonjs/mol-plugin/state.d.ts +1 -14
  210. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +12 -11
  211. package/lib/commonjs/mol-plugin-state/formats/volume.js +20 -13
  212. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +5 -5
  213. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  214. package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +1 -1
  215. package/lib/commonjs/mol-plugin-ui/controls.js +1 -1
  216. package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
  217. package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +1 -1
  218. package/lib/commonjs/mol-plugin-ui/state/snapshots.js +1 -0
  219. package/lib/commonjs/mol-plugin-ui/structure/focus.js +1 -1
  220. package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +1 -0
  221. package/lib/commonjs/mol-plugin-ui/viewport.d.ts +2 -2
  222. package/lib/commonjs/mol-repr/shape/representation.d.ts +1 -1
  223. package/lib/commonjs/mol-repr/shape/representation.js +2 -1
  224. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +1 -1
  225. package/lib/commonjs/mol-repr/structure/complex-visual.js +2 -1
  226. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +1 -1
  227. package/lib/commonjs/mol-repr/structure/units-visual.js +2 -1
  228. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
  229. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
  230. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -15
  231. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +12 -15
  232. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
  233. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
  234. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
  235. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
  236. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  237. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  238. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
  239. package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -3
  240. package/lib/commonjs/mol-repr/structure/visual/util/link.js +30 -30
  241. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
  242. package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
  243. package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
  244. package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +6 -6
  245. package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
  246. package/lib/commonjs/mol-repr/volume/representation.js +2 -1
  247. package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
  248. package/lib/commonjs/mol-script/language/symbol-table/core.d.ts +2 -2
  249. package/lib/commonjs/mol-script/runtime/query/table.js +13 -13
  250. package/lib/commonjs/mol-state/object.d.ts +3 -3
  251. package/lib/commonjs/mol-task/util/user-timing.js +1 -1
  252. package/lib/commonjs/mol-theme/clipping.js +19 -19
  253. package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
  254. package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +1 -1
  255. package/lib/commonjs/mol-theme/color/chain-id.js +4 -4
  256. package/lib/commonjs/mol-theme/color/element-index.js +1 -1
  257. package/lib/commonjs/mol-theme/color/element-symbol.js +1 -1
  258. package/lib/commonjs/mol-theme/color/entity-id.js +4 -4
  259. package/lib/commonjs/mol-theme/color/entity-source.js +5 -4
  260. package/lib/commonjs/mol-theme/color/hydrophobicity.js +1 -1
  261. package/lib/commonjs/mol-theme/color/illustrative.js +1 -1
  262. package/lib/commonjs/mol-theme/color/model-index.js +1 -1
  263. package/lib/commonjs/mol-theme/color/molecule-type.js +8 -8
  264. package/lib/commonjs/mol-theme/color/occupancy.js +1 -1
  265. package/lib/commonjs/mol-theme/color/operator-hkl.js +1 -1
  266. package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
  267. package/lib/commonjs/mol-theme/color/partial-charge.js +1 -1
  268. package/lib/commonjs/mol-theme/color/polymer-id.js +4 -4
  269. package/lib/commonjs/mol-theme/color/polymer-index.js +1 -1
  270. package/lib/commonjs/mol-theme/color/residue-name.js +1 -1
  271. package/lib/commonjs/mol-theme/color/secondary-structure.js +12 -12
  272. package/lib/commonjs/mol-theme/color/sequence-id.js +7 -7
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  573. package/lib/mol-theme/color/operator-name.js +1 -1
  574. package/lib/mol-theme/color/partial-charge.js +1 -1
  575. package/lib/mol-theme/color/polymer-id.js +4 -4
  576. package/lib/mol-theme/color/polymer-index.js +1 -1
  577. package/lib/mol-theme/color/residue-name.js +1 -1
  578. package/lib/mol-theme/color/secondary-structure.js +12 -12
  579. package/lib/mol-theme/color/sequence-id.js +7 -7
  580. package/lib/mol-theme/color/shape-group.js +1 -1
  581. package/lib/mol-theme/color/uncertainty.js +1 -1
  582. package/lib/mol-theme/color/uniform.js +1 -1
  583. package/lib/mol-theme/color/unit-index.js +1 -1
  584. package/lib/mol-theme/color/volume-value.js +1 -1
  585. package/lib/mol-theme/label.js +3 -3
  586. package/lib/mol-util/binding.js +4 -4
  587. package/lib/mol-util/debug.d.ts +6 -1
  588. package/lib/mol-util/debug.js +9 -1
  589. package/lib/mol-util/input/input-observer.js +20 -20
  590. package/lib/mol-util/string-builder.js +1 -1
  591. package/lib/servers/model/preprocess/converter.js +1 -1
  592. package/lib/servers/model/server/query.js +1 -1
  593. package/lib/servers/model/utils/fetch-retry.js +3 -2
  594. package/lib/servers/volume/server/algebra/coordinate.js +6 -6
  595. package/lib/servers/volume/server/query/encode.js +1 -1
  596. package/package.json +162 -162
@@ -133,71 +133,71 @@ function mapToKind(assignment) {
133
133
  }
134
134
  /** Original priority: H,B,E,G,I,T,S */
135
135
  function getOriginalResidueFlag(f) {
136
- if (common_1.DSSPType.is(f, 1 /* H */))
136
+ if (common_1.DSSPType.is(f, 1 /* DSSPType.Flag.H */))
137
137
  return types_1.SecondaryStructureType.SecondaryStructureDssp.H;
138
- if (common_1.DSSPType.is(f, 4 /* E */))
138
+ if (common_1.DSSPType.is(f, 4 /* DSSPType.Flag.E */))
139
139
  return types_1.SecondaryStructureType.SecondaryStructureDssp.E;
140
- if (common_1.DSSPType.is(f, 2 /* B */))
140
+ if (common_1.DSSPType.is(f, 2 /* DSSPType.Flag.B */))
141
141
  return types_1.SecondaryStructureType.SecondaryStructureDssp.B;
142
- if (common_1.DSSPType.is(f, 8 /* G */))
142
+ if (common_1.DSSPType.is(f, 8 /* DSSPType.Flag.G */))
143
143
  return types_1.SecondaryStructureType.SecondaryStructureDssp.G;
144
- if (common_1.DSSPType.is(f, 16 /* I */))
144
+ if (common_1.DSSPType.is(f, 16 /* DSSPType.Flag.I */))
145
145
  return types_1.SecondaryStructureType.SecondaryStructureDssp.I;
146
- if (common_1.DSSPType.is(f, 64 /* T */))
146
+ if (common_1.DSSPType.is(f, 64 /* DSSPType.Flag.T */))
147
147
  return types_1.SecondaryStructureType.SecondaryStructureDssp.T;
148
- if (common_1.DSSPType.is(f, 32 /* S */))
148
+ if (common_1.DSSPType.is(f, 32 /* DSSPType.Flag.S */))
149
149
  return types_1.SecondaryStructureType.SecondaryStructureDssp.S;
150
- return 0 /* None */;
150
+ return 0 /* SecondaryStructureType.Flag.None */;
151
151
  }
152
152
  function getOriginalFlagName(f) {
153
- if (common_1.DSSPType.is(f, 1 /* H */))
153
+ if (common_1.DSSPType.is(f, 1 /* DSSPType.Flag.H */))
154
154
  return 'H';
155
- if (common_1.DSSPType.is(f, 4 /* E */))
155
+ if (common_1.DSSPType.is(f, 4 /* DSSPType.Flag.E */))
156
156
  return 'E';
157
- if (common_1.DSSPType.is(f, 2 /* B */))
157
+ if (common_1.DSSPType.is(f, 2 /* DSSPType.Flag.B */))
158
158
  return 'B';
159
- if (common_1.DSSPType.is(f, 8 /* G */))
159
+ if (common_1.DSSPType.is(f, 8 /* DSSPType.Flag.G */))
160
160
  return 'G';
161
- if (common_1.DSSPType.is(f, 16 /* I */))
161
+ if (common_1.DSSPType.is(f, 16 /* DSSPType.Flag.I */))
162
162
  return 'I';
163
- if (common_1.DSSPType.is(f, 64 /* T */))
163
+ if (common_1.DSSPType.is(f, 64 /* DSSPType.Flag.T */))
164
164
  return 'T';
165
- if (common_1.DSSPType.is(f, 32 /* S */))
165
+ if (common_1.DSSPType.is(f, 32 /* DSSPType.Flag.S */))
166
166
  return 'S';
167
167
  return '-';
168
168
  }
169
169
  /** Version 2.1.0 priority: I,H,B,E,G,T,S */
170
170
  function getUpdatedResidueFlag(f) {
171
- if (common_1.DSSPType.is(f, 16 /* I */))
171
+ if (common_1.DSSPType.is(f, 16 /* DSSPType.Flag.I */))
172
172
  return types_1.SecondaryStructureType.SecondaryStructureDssp.I;
173
- if (common_1.DSSPType.is(f, 1 /* H */))
173
+ if (common_1.DSSPType.is(f, 1 /* DSSPType.Flag.H */))
174
174
  return types_1.SecondaryStructureType.SecondaryStructureDssp.H;
175
- if (common_1.DSSPType.is(f, 4 /* E */))
175
+ if (common_1.DSSPType.is(f, 4 /* DSSPType.Flag.E */))
176
176
  return types_1.SecondaryStructureType.SecondaryStructureDssp.E;
177
- if (common_1.DSSPType.is(f, 2 /* B */))
177
+ if (common_1.DSSPType.is(f, 2 /* DSSPType.Flag.B */))
178
178
  return types_1.SecondaryStructureType.SecondaryStructureDssp.B;
179
- if (common_1.DSSPType.is(f, 8 /* G */))
179
+ if (common_1.DSSPType.is(f, 8 /* DSSPType.Flag.G */))
180
180
  return types_1.SecondaryStructureType.SecondaryStructureDssp.G;
181
- if (common_1.DSSPType.is(f, 64 /* T */))
181
+ if (common_1.DSSPType.is(f, 64 /* DSSPType.Flag.T */))
182
182
  return types_1.SecondaryStructureType.SecondaryStructureDssp.T;
183
- if (common_1.DSSPType.is(f, 32 /* S */))
183
+ if (common_1.DSSPType.is(f, 32 /* DSSPType.Flag.S */))
184
184
  return types_1.SecondaryStructureType.SecondaryStructureDssp.S;
185
- return 0 /* None */;
185
+ return 0 /* SecondaryStructureType.Flag.None */;
186
186
  }
187
187
  function getUpdatedFlagName(f) {
188
- if (common_1.DSSPType.is(f, 16 /* I */))
188
+ if (common_1.DSSPType.is(f, 16 /* DSSPType.Flag.I */))
189
189
  return 'I';
190
- if (common_1.DSSPType.is(f, 1 /* H */))
190
+ if (common_1.DSSPType.is(f, 1 /* DSSPType.Flag.H */))
191
191
  return 'H';
192
- if (common_1.DSSPType.is(f, 4 /* E */))
192
+ if (common_1.DSSPType.is(f, 4 /* DSSPType.Flag.E */))
193
193
  return 'E';
194
- if (common_1.DSSPType.is(f, 2 /* B */))
194
+ if (common_1.DSSPType.is(f, 2 /* DSSPType.Flag.B */))
195
195
  return 'B';
196
- if (common_1.DSSPType.is(f, 8 /* G */))
196
+ if (common_1.DSSPType.is(f, 8 /* DSSPType.Flag.G */))
197
197
  return 'G';
198
- if (common_1.DSSPType.is(f, 64 /* T */))
198
+ if (common_1.DSSPType.is(f, 64 /* DSSPType.Flag.T */))
199
199
  return 'T';
200
- if (common_1.DSSPType.is(f, 32 /* S */))
200
+ if (common_1.DSSPType.is(f, 32 /* DSSPType.Flag.S */))
201
201
  return 'S';
202
202
  return '-';
203
203
  }
@@ -69,7 +69,7 @@ exports.AccessibleSurfaceAreaColorTheme = AccessibleSurfaceAreaColorTheme;
69
69
  exports.AccessibleSurfaceAreaColorThemeProvider = {
70
70
  name: 'accessible-surface-area',
71
71
  label: 'Accessible Surface Area',
72
- category: "Residue Property" /* Residue */,
72
+ category: "Residue Property" /* ColorTheme.Category.Residue */,
73
73
  factory: AccessibleSurfaceAreaColorTheme,
74
74
  getParams: getAccessibleSurfaceAreaColorThemeParams,
75
75
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.AccessibleSurfaceAreaColorThemeParams),
@@ -36,23 +36,23 @@ var InteractionTypeColorTable = [
36
36
  ];
37
37
  function typeColor(type) {
38
38
  switch (type) {
39
- case 4 /* HydrogenBond */:
39
+ case 4 /* InteractionType.HydrogenBond */:
40
40
  return InteractionTypeColors.HydrogenBond;
41
- case 6 /* Hydrophobic */:
41
+ case 6 /* InteractionType.Hydrophobic */:
42
42
  return InteractionTypeColors.Hydrophobic;
43
- case 5 /* HalogenBond */:
43
+ case 5 /* InteractionType.HalogenBond */:
44
44
  return InteractionTypeColors.HalogenBond;
45
- case 1 /* Ionic */:
45
+ case 1 /* InteractionType.Ionic */:
46
46
  return InteractionTypeColors.Ionic;
47
- case 7 /* MetalCoordination */:
47
+ case 7 /* InteractionType.MetalCoordination */:
48
48
  return InteractionTypeColors.MetalCoordination;
49
- case 2 /* CationPi */:
49
+ case 2 /* InteractionType.CationPi */:
50
50
  return InteractionTypeColors.CationPi;
51
- case 3 /* PiStacking */:
51
+ case 3 /* InteractionType.PiStacking */:
52
52
  return InteractionTypeColors.PiStacking;
53
- case 8 /* WeakHydrogenBond */:
53
+ case 8 /* InteractionType.WeakHydrogenBond */:
54
54
  return InteractionTypeColors.WeakHydrogenBond;
55
- case 0 /* Unknown */:
55
+ case 0 /* InteractionType.Unknown */:
56
56
  return DefaultColor;
57
57
  }
58
58
  }
@@ -100,7 +100,7 @@ exports.InteractionTypeColorTheme = InteractionTypeColorTheme;
100
100
  exports.InteractionTypeColorThemeProvider = {
101
101
  name: 'interaction-type',
102
102
  label: 'Interaction Type',
103
- category: "Miscellaneous" /* Misc */,
103
+ category: "Miscellaneous" /* ColorTheme.Category.Misc */,
104
104
  factory: InteractionTypeColorTheme,
105
105
  getParams: getInteractionTypeColorThemeParams,
106
106
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionTypeColorThemeParams),
@@ -55,7 +55,7 @@ exports.CrossLinkColorTheme = CrossLinkColorTheme;
55
55
  exports.CrossLinkColorThemeProvider = {
56
56
  name: 'cross-link',
57
57
  label: 'Cross Link',
58
- category: "Miscellaneous" /* Misc */,
58
+ category: "Miscellaneous" /* ColorTheme.Category.Misc */,
59
59
  factory: CrossLinkColorTheme,
60
60
  getParams: getCrossLinkColorThemeParams,
61
61
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.CrossLinkColorThemeParams),
@@ -62,9 +62,9 @@ var ModelCrossLinkRestraint;
62
62
  }
63
63
  function getMapByKind(kind) {
64
64
  switch (kind) {
65
- case 0 /* Atomic */: return atomicElementMap;
66
- case 1 /* Spheres */: return sphereElementMap;
67
- case 2 /* Gaussians */: return gaussianElementMap;
65
+ case 0 /* Unit.Kind.Atomic */: return atomicElementMap;
66
+ case 1 /* Unit.Kind.Spheres */: return sphereElementMap;
67
+ case 2 /* Unit.Kind.Gaussians */: return gaussianElementMap;
68
68
  }
69
69
  }
70
70
  /** map from atomic element to cross link indices */
@@ -72,7 +72,7 @@ var SIFTSMapping;
72
72
  var residue = new Array(count);
73
73
  for (var i = 0; i < count; i++) {
74
74
  var row = atomSourceIndex.value(residueOffsets[i]);
75
- if (db_name.valueKind(row) !== 0 /* Present */) {
75
+ if (db_name.valueKind(row) !== 0 /* Column.ValueKind.Present */) {
76
76
  dbName[i] = '';
77
77
  accession[i] = '';
78
78
  num[i] = '';
@@ -77,7 +77,7 @@ exports.SIFTSMappingColorTheme = SIFTSMappingColorTheme;
77
77
  exports.SIFTSMappingColorThemeProvider = {
78
78
  name: 'sifts-mapping',
79
79
  label: 'SIFTS Mapping',
80
- category: "Residue Property" /* Residue */,
80
+ category: "Residue Property" /* ColorTheme.Category.Residue */,
81
81
  factory: SIFTSMappingColorTheme,
82
82
  getParams: getSIFTSMappingColorThemeParams,
83
83
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.SIFTSMappingColorThemeParams),
@@ -1,7 +1,8 @@
1
1
  /**
2
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author David Sehnal <david.sehnal@gmail.com>
5
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
6
  */
6
7
  import { PluginContext } from './context';
7
8
  import { PluginAnimationManager } from '../mol-plugin-state/manager/animation';
@@ -1,13 +1,16 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author David Sehnal <david.sehnal@gmail.com>
6
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
7
  */
7
8
  Object.defineProperty(exports, "__esModule", { value: true });
8
9
  exports.PluginAnimationLoop = void 0;
9
10
  var tslib_1 = require("tslib");
10
11
  var now_1 = require("../mol-util/now");
12
+ var debug_1 = require("../mol-util/debug");
13
+ var timer_1 = require("../mol-gl/webgl/timer");
11
14
  var PluginAnimationLoop = /** @class */ (function () {
12
15
  function PluginAnimationLoop(plugin) {
13
16
  var _this = this;
@@ -29,14 +32,24 @@ var PluginAnimationLoop = /** @class */ (function () {
29
32
  configurable: true
30
33
  });
31
34
  PluginAnimationLoop.prototype.tick = function (t, options) {
32
- var _a;
35
+ var _a, _b;
33
36
  return tslib_1.__awaiter(this, void 0, void 0, function () {
34
- return tslib_1.__generator(this, function (_b) {
35
- switch (_b.label) {
37
+ var timerResults, _i, timerResults_1, result;
38
+ return tslib_1.__generator(this, function (_c) {
39
+ switch (_c.label) {
36
40
  case 0: return [4 /*yield*/, this.plugin.managers.animation.tick(t, options === null || options === void 0 ? void 0 : options.isSynchronous, options === null || options === void 0 ? void 0 : options.animation)];
37
41
  case 1:
38
- _b.sent();
42
+ _c.sent();
39
43
  (_a = this.plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.tick(t, options);
44
+ if (debug_1.isTimingMode) {
45
+ timerResults = (_b = this.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.webgl.timer.resolve();
46
+ if (timerResults) {
47
+ for (_i = 0, timerResults_1 = timerResults; _i < timerResults_1.length; _i++) {
48
+ result = timerResults_1[_i];
49
+ (0, timer_1.printTimerResults)([result]);
50
+ }
51
+ }
52
+ }
40
53
  return [2 /*return*/];
41
54
  }
42
55
  });
@@ -21,13 +21,13 @@ var M = input_observer_1.ModifiersKeys;
21
21
  var Trigger = binding_1.Binding.Trigger;
22
22
  var DefaultFocusLociBindings = {
23
23
  clickCenterFocus: (0, binding_1.Binding)([
24
- Trigger(1 /* Primary */, M.create()),
25
- Trigger(2 /* Secondary */, M.create()),
26
- Trigger(1 /* Primary */, M.create({ control: true }))
24
+ Trigger(1 /* B.Flag.Primary */, M.create()),
25
+ Trigger(2 /* B.Flag.Secondary */, M.create()),
26
+ Trigger(1 /* B.Flag.Primary */, M.create({ control: true }))
27
27
  ], 'Camera center and focus', 'Click element using ${triggers}'),
28
28
  clickCenterFocusSelectMode: (0, binding_1.Binding)([
29
- Trigger(2 /* Secondary */, M.create()),
30
- Trigger(1 /* Primary */, M.create({ control: true }))
29
+ Trigger(2 /* B.Flag.Secondary */, M.create()),
30
+ Trigger(1 /* B.Flag.Primary */, M.create({ control: true }))
31
31
  ], 'Camera center and focus', 'Click element using ${triggers}'),
32
32
  };
33
33
  var FocusLociParams = {
@@ -78,22 +78,22 @@ exports.CameraAxisHelper = behavior_1.PluginBehavior.create({
78
78
  }
79
79
  class_2.prototype.register = function () {
80
80
  var _this = this;
81
- var lastPlane = 0 /* None */;
81
+ var lastPlane = 0 /* CameraHelperAxis.None */;
82
82
  var state = 0;
83
83
  this.subscribeObservable(this.ctx.behaviors.interaction.click, function (_a) {
84
84
  var current = _a.current;
85
85
  if (!_this.ctx.canvas3d || !(0, camera_helper_1.isCameraAxesLoci)(current.loci))
86
86
  return;
87
87
  var axis = current.loci.elements[0].groupId;
88
- if (axis === 0 /* None */) {
89
- lastPlane = 0 /* None */;
88
+ if (axis === 0 /* CameraHelperAxis.None */) {
89
+ lastPlane = 0 /* CameraHelperAxis.None */;
90
90
  state = 0;
91
91
  return;
92
92
  }
93
93
  var camera = _this.ctx.canvas3d.camera;
94
94
  var dir, up;
95
- if (axis >= 1 /* X */ && axis <= 3 /* Z */) {
96
- lastPlane = 0 /* None */;
95
+ if (axis >= 1 /* CameraHelperAxis.X */ && axis <= 3 /* CameraHelperAxis.Z */) {
96
+ lastPlane = 0 /* CameraHelperAxis.None */;
97
97
  state = 0;
98
98
  var d = linear_algebra_1.Vec3.sub((0, linear_algebra_1.Vec3)(), camera.target, camera.position);
99
99
  var c = linear_algebra_1.Vec3.cross((0, linear_algebra_1.Vec3)(), d, camera.up);
@@ -111,11 +111,11 @@ exports.CameraAxisHelper = behavior_1.PluginBehavior.create({
111
111
  lastPlane = axis;
112
112
  state = 0;
113
113
  }
114
- if (axis === 4 /* XY */) {
114
+ if (axis === 4 /* CameraHelperAxis.XY */) {
115
115
  up = state ? linear_algebra_1.Vec3.unitX : linear_algebra_1.Vec3.unitY;
116
116
  dir = linear_algebra_1.Vec3.negUnitZ;
117
117
  }
118
- else if (axis === 5 /* XZ */) {
118
+ else if (axis === 5 /* CameraHelperAxis.XZ */) {
119
119
  up = state ? linear_algebra_1.Vec3.unitX : linear_algebra_1.Vec3.unitZ;
120
120
  dir = linear_algebra_1.Vec3.negUnitY;
121
121
  }
@@ -25,8 +25,8 @@ var M = input_observer_1.ModifiersKeys;
25
25
  var Trigger = binding_1.Binding.Trigger;
26
26
  //
27
27
  var DefaultHighlightLociBindings = {
28
- hoverHighlightOnly: (0, binding_1.Binding)([Trigger(0 /* None */)], 'Highlight', 'Hover element using ${triggers}'),
29
- hoverHighlightOnlyExtend: (0, binding_1.Binding)([Trigger(0 /* None */, M.create({ shift: true }))], 'Extend highlight', 'From selected to hovered element along polymer using ${triggers}'),
28
+ hoverHighlightOnly: (0, binding_1.Binding)([Trigger(0 /* B.Flag.None */)], 'Highlight', 'Hover element using ${triggers}'),
29
+ hoverHighlightOnlyExtend: (0, binding_1.Binding)([Trigger(0 /* B.Flag.None */, M.create({ shift: true }))], 'Extend highlight', 'From selected to hovered element along polymer using ${triggers}'),
30
30
  };
31
31
  var HighlightLociParams = {
32
32
  bindings: param_definition_1.ParamDefinition.Value(DefaultHighlightLociBindings, { isHidden: true }),
@@ -92,11 +92,11 @@ exports.HighlightLoci = behavior_1.PluginBehavior.create({
92
92
  //
93
93
  var DefaultSelectLociBindings = {
94
94
  clickSelect: binding_1.Binding.Empty,
95
- clickToggleExtend: (0, binding_1.Binding)([Trigger(1 /* Primary */, M.create({ shift: true }))], 'Toggle extended selection', '${triggers} to extend selection along polymer'),
95
+ clickToggleExtend: (0, binding_1.Binding)([Trigger(1 /* B.Flag.Primary */, M.create({ shift: true }))], 'Toggle extended selection', '${triggers} to extend selection along polymer'),
96
96
  clickSelectOnly: binding_1.Binding.Empty,
97
- clickToggle: (0, binding_1.Binding)([Trigger(1 /* Primary */, M.create())], 'Toggle selection', '${triggers} on element'),
97
+ clickToggle: (0, binding_1.Binding)([Trigger(1 /* B.Flag.Primary */, M.create())], 'Toggle selection', '${triggers} on element'),
98
98
  clickDeselect: binding_1.Binding.Empty,
99
- clickDeselectAllOnEmpty: (0, binding_1.Binding)([Trigger(1 /* Primary */, M.create())], 'Deselect all', 'Click on nothing using ${triggers}'),
99
+ clickDeselectAllOnEmpty: (0, binding_1.Binding)([Trigger(1 /* B.Flag.Primary */, M.create())], 'Deselect all', 'Click on nothing using ${triggers}'),
100
100
  };
101
101
  var SelectLociParams = {
102
102
  bindings: param_definition_1.ParamDefinition.Value(DefaultSelectLociBindings, { isHidden: true }),
@@ -243,10 +243,10 @@ exports.DefaultLociLabelProvider = behavior_1.PluginBehavior.create({
243
243
  //
244
244
  var DefaultFocusLociBindings = {
245
245
  clickFocus: (0, binding_1.Binding)([
246
- Trigger(1 /* Primary */, M.create()),
246
+ Trigger(1 /* B.Flag.Primary */, M.create()),
247
247
  ], 'Representation Focus', 'Click element using ${triggers}'),
248
248
  clickFocusAdd: (0, binding_1.Binding)([
249
- Trigger(1 /* Primary */, M.create({ shift: true })),
249
+ Trigger(1 /* B.Flag.Primary */, M.create({ shift: true })),
250
250
  ], 'Representation Focus Add', 'Click element using ${triggers}'),
251
251
  clickFocusSelectMode: (0, binding_1.Binding)([
252
252
  // default is empty
@@ -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;
@@ -8,6 +8,7 @@ import { Structure } from '../mol-model/structure';
8
8
  import { PluginContext } from './context';
9
9
  import { EmdbDownloadProvider } from '../mol-plugin-state/actions/volume';
10
10
  import { StructureRepresentationPresetProvider } from '../mol-plugin-state/builder/structure/representation-preset';
11
+ import { SaccharideCompIdMapType } from '../mol-model/structure/structure/carbohydrates/constants';
11
12
  export declare class PluginConfigItem<T = any> {
12
13
  key: string;
13
14
  defaultValue?: T | undefined;
@@ -45,6 +46,7 @@ export declare const PluginConfig: {
45
46
  ShowSettings: PluginConfigItem<boolean>;
46
47
  ShowSelectionMode: PluginConfigItem<boolean>;
47
48
  ShowAnimation: PluginConfigItem<boolean>;
49
+ ShowTrajectoryControls: PluginConfigItem<boolean>;
48
50
  };
49
51
  Download: {
50
52
  DefaultPdbProvider: PluginConfigItem<"rcsb" | "pdbe" | "pdbj">;
@@ -60,6 +62,7 @@ export declare const PluginConfig: {
60
62
  }>;
61
63
  DefaultRepresentationPreset: PluginConfigItem<string>;
62
64
  DefaultRepresentationPresetParams: PluginConfigItem<StructureRepresentationPresetProvider.CommonParams>;
65
+ SaccharideCompIdMapType: PluginConfigItem<SaccharideCompIdMapType>;
63
66
  };
64
67
  };
65
68
  export declare class PluginConfigManager {
@@ -53,6 +53,7 @@ exports.PluginConfig = {
53
53
  ShowSettings: item('viewer.show-settings-button', true),
54
54
  ShowSelectionMode: item('viewer.show-selection-model-button', true),
55
55
  ShowAnimation: item('viewer.show-animation-button', true),
56
+ ShowTrajectoryControls: item('viewer.show-trajectory-controls', true),
56
57
  },
57
58
  Download: {
58
59
  DefaultPdbProvider: item('download.default-pdb-provider', 'pdbe'),
@@ -61,7 +62,8 @@ exports.PluginConfig = {
61
62
  Structure: {
62
63
  SizeThresholds: item('structure.size-thresholds', structure_1.Structure.DefaultSizeThresholds),
63
64
  DefaultRepresentationPreset: item('structure.default-representation-preset', 'auto'),
64
- DefaultRepresentationPresetParams: item('structure.default-representation-preset-params', {})
65
+ DefaultRepresentationPresetParams: item('structure.default-representation-preset-params', {}),
66
+ SaccharideCompIdMapType: item('structure.saccharide-comp-id-map-type', 'default'),
65
67
  }
66
68
  };
67
69
  var PluginConfigManager = /** @class */ (function () {
@@ -45,8 +45,8 @@ import { ViewportScreenshotHelper } from './util/viewport-screenshot';
45
45
  export declare class PluginContext {
46
46
  spec: PluginSpec;
47
47
  runTask: <T>(task: Task<T>, params?: {
48
- useOverlay?: boolean | undefined;
49
- } | undefined) => Promise<T>;
48
+ useOverlay?: boolean;
49
+ }) => Promise<T>;
50
50
  resolveTask: <T>(object: T | Task<T> | undefined) => T | Promise<T> | undefined;
51
51
  protected subs: Subscription[];
52
52
  private disposed;
@@ -59,9 +59,11 @@ var task_manager_1 = require("./util/task-manager");
59
59
  var toast_1 = require("./util/toast");
60
60
  var viewport_screenshot_1 = require("./util/viewport-screenshot");
61
61
  var version_1 = require("./version");
62
+ var constants_1 = require("../mol-model/structure/structure/carbohydrates/constants");
62
63
  var PluginContext = /** @class */ (function () {
63
64
  function PluginContext(spec) {
64
65
  var _this = this;
66
+ var _a;
65
67
  this.spec = spec;
66
68
  this.runTask = function (task, params) { return _this.managers.task.run(task, params); };
67
69
  this.resolveTask = function (object) {
@@ -183,6 +185,7 @@ var PluginContext = /** @class */ (function () {
183
185
  // and freezing the params object causes "read-only exception"
184
186
  // TODO: is this the best place to do it?
185
187
  (0, immer_1.setAutoFreeze)(false);
188
+ (0, constants_1.setSaccharideCompIdMapType)((_a = this.config.get(config_1.PluginConfig.Structure.SaccharideCompIdMapType)) !== null && _a !== void 0 ? _a : 'default');
186
189
  }
187
190
  PluginContext.prototype.build = function () {
188
191
  return this.state.data.build();
@@ -61,20 +61,7 @@ declare class PluginState extends PluginComponent {
61
61
  durationInMs: number;
62
62
  }>, "animate"> | PD.NamedParams<PD.Normalize<unknown>, "instant">>;
63
63
  }>>>;
64
- setSnapshotParams: (params?: Partial<PD.Values<{
65
- durationInMs: PD.Numeric;
66
- data: PD.BooleanParam;
67
- behavior: PD.BooleanParam;
68
- componentManager: PD.BooleanParam;
69
- animation: PD.BooleanParam;
70
- startAnimation: PD.BooleanParam;
71
- canvas3d: PD.BooleanParam;
72
- interactivity: PD.BooleanParam;
73
- camera: PD.BooleanParam;
74
- cameraTransition: PD.Mapped<PD.NamedParams<PD.Normalize<{
75
- durationInMs: number;
76
- }>, "animate"> | PD.NamedParams<PD.Normalize<unknown>, "instant">>;
77
- }>> | undefined) => void;
64
+ setSnapshotParams: (params?: PluginState.SnapshotParams) => void;
78
65
  getSnapshot(params?: PluginState.SnapshotParams): PluginState.Snapshot;
79
66
  setSnapshot(snapshot: PluginState.Snapshot): Promise<void>;
80
67
  updateTransform(state: State, a: StateTransform.Ref, params: any, canUndo?: string | boolean): Promise<void>;
@@ -1,8 +1,9 @@
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>
6
+ * @author Aliaksei Chareshneu <chareshneu.tech@gmail.com>
6
7
  */
7
8
  import { PluginContext } from '../../mol-plugin/context';
8
9
  import { StateObjectSelector } from '../../mol-state';
@@ -20,7 +21,7 @@ export declare const Ccp4Provider: {
20
21
  description: string;
21
22
  category: string;
22
23
  binaryExtensions: string[];
23
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
24
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
24
25
  format: StateObjectSelector<PluginStateObject.Format.Ccp4, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Ccp4, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
25
26
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Ccp4, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
26
27
  voxelSize: import("../../mol-math/linear-algebra/3d/vec3").Vec3;
@@ -35,7 +36,7 @@ export declare const Dsn6Provider: {
35
36
  description: string;
36
37
  category: string;
37
38
  binaryExtensions: string[];
38
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
39
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
39
40
  format: StateObjectSelector<PluginStateObject.Format.Dsn6, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Dsn6, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
40
41
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Dsn6, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
41
42
  voxelSize: import("../../mol-math/linear-algebra/3d/vec3").Vec3;
@@ -50,7 +51,7 @@ export declare const DxProvider: {
50
51
  category: string;
51
52
  stringExtensions: string[];
52
53
  binaryExtensions: string[];
53
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
54
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
54
55
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Dx, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
55
56
  }>;
56
57
  visuals: typeof defaultVisuals;
@@ -60,7 +61,7 @@ export declare const CubeProvider: {
60
61
  description: string;
61
62
  category: string;
62
63
  stringExtensions: string[];
63
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
64
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
64
65
  format: StateObjectSelector<PluginStateObject.Format.Cube, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Data.String, PluginStateObject.Format.Cube, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
65
66
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Cube, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
66
67
  dataIndex: number;
@@ -102,7 +103,7 @@ export declare const DscifProvider: {
102
103
  stringExtensions: string[];
103
104
  binaryExtensions: string[];
104
105
  isApplicable: (info: import("../../mol-util/file-info").FileInfo, data: string | Uint8Array) => boolean;
105
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: DsCifParams | undefined) => Promise<{
106
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: DsCifParams) => Promise<{
106
107
  volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>[];
107
108
  }>;
108
109
  visuals: (plugin: PluginContext, data: {
@@ -114,7 +115,7 @@ export declare const BuiltInVolumeFormats: readonly [readonly ["ccp4", {
114
115
  description: string;
115
116
  category: string;
116
117
  binaryExtensions: string[];
117
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
118
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
118
119
  format: StateObjectSelector<PluginStateObject.Format.Ccp4, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Ccp4, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
119
120
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Ccp4, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
120
121
  voxelSize: import("../../mol-math/linear-algebra/3d/vec3").Vec3;
@@ -128,7 +129,7 @@ export declare const BuiltInVolumeFormats: readonly [readonly ["ccp4", {
128
129
  description: string;
129
130
  category: string;
130
131
  binaryExtensions: string[];
131
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
132
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
132
133
  format: StateObjectSelector<PluginStateObject.Format.Dsn6, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Dsn6, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
133
134
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Dsn6, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
134
135
  voxelSize: import("../../mol-math/linear-algebra/3d/vec3").Vec3;
@@ -141,7 +142,7 @@ export declare const BuiltInVolumeFormats: readonly [readonly ["ccp4", {
141
142
  description: string;
142
143
  category: string;
143
144
  stringExtensions: string[];
144
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
145
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
145
146
  format: StateObjectSelector<PluginStateObject.Format.Cube, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Data.String, PluginStateObject.Format.Cube, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
146
147
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Cube, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
147
148
  dataIndex: number;
@@ -178,7 +179,7 @@ export declare const BuiltInVolumeFormats: readonly [readonly ["ccp4", {
178
179
  category: string;
179
180
  stringExtensions: string[];
180
181
  binaryExtensions: string[];
181
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params | undefined) => Promise<{
182
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
182
183
  volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Format.Dx, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
183
184
  }>;
184
185
  visuals: typeof defaultVisuals;
@@ -189,7 +190,7 @@ export declare const BuiltInVolumeFormats: readonly [readonly ["ccp4", {
189
190
  stringExtensions: string[];
190
191
  binaryExtensions: string[];
191
192
  isApplicable: (info: import("../../mol-util/file-info").FileInfo, data: string | Uint8Array) => boolean;
192
- parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: DsCifParams | undefined) => Promise<{
193
+ parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: DsCifParams) => Promise<{
193
194
  volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>[];
194
195
  }>;
195
196
  visuals: (plugin: PluginContext, data: {