molstar 3.8.2 → 3.9.0

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 (516) hide show
  1. package/build/viewer/index.html +4 -1
  2. package/build/viewer/molstar.js +1 -1
  3. package/lib/apps/viewer/app.d.ts +1 -1
  4. package/lib/apps/viewer/app.js +1 -1
  5. package/lib/apps/viewer/index.html +4 -1
  6. package/lib/cli/cif2bcif/converter.js +1 -1
  7. package/lib/commonjs/apps/viewer/app.d.ts +1 -1
  8. package/lib/commonjs/apps/viewer/app.js +2 -1
  9. package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
  10. package/lib/commonjs/examples/alpha-orbitals/index.d.ts +1 -1
  11. package/lib/commonjs/examples/alpha-orbitals/index.js +4 -1
  12. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +1 -1
  13. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +3 -3
  14. package/lib/commonjs/extensions/alpha-orbitals/density.d.ts +1 -1
  15. package/lib/commonjs/extensions/alpha-orbitals/density.js +6 -2
  16. package/lib/commonjs/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  17. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +6 -3
  18. package/lib/commonjs/extensions/anvil/algorithm.js +1 -1
  19. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  20. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  21. package/lib/commonjs/extensions/cellpack/state.js +1 -1
  22. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +1 -1
  23. package/lib/commonjs/extensions/g3d/model.js +1 -1
  24. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
  25. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
  26. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +1 -1
  27. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +4 -4
  28. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +1 -1
  29. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
  30. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
  31. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  32. package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
  33. package/lib/commonjs/mol-canvas3d/controls/trackball.js +7 -7
  34. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +14 -14
  35. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +5 -5
  36. package/lib/commonjs/mol-canvas3d/passes/draw.js +34 -5
  37. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +5 -0
  38. package/lib/commonjs/mol-canvas3d/passes/marking.js +5 -0
  39. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +9 -0
  40. package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +18 -5
  41. package/lib/commonjs/mol-canvas3d/passes/pick.js +125 -24
  42. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +5 -0
  43. package/lib/commonjs/mol-canvas3d/passes/smaa.js +4 -0
  44. package/lib/commonjs/mol-canvas3d/passes/wboit.js +4 -0
  45. package/lib/commonjs/mol-data/db/column.js +5 -5
  46. package/lib/commonjs/mol-data/db/table.js +2 -2
  47. package/lib/commonjs/mol-data/util/array.d.ts +1 -1
  48. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
  49. package/lib/commonjs/mol-gl/compute/grid3d.d.ts +2 -2
  50. package/lib/commonjs/mol-gl/compute/grid3d.js +30 -8
  51. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
  52. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
  53. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
  54. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +6 -1
  55. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
  56. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
  57. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
  58. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -10
  59. package/lib/commonjs/mol-gl/renderer.js +77 -32
  60. package/lib/commonjs/mol-gl/scene.js +2 -0
  61. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  62. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  63. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  64. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  65. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  66. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  67. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  68. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  69. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  70. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  71. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  72. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  73. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  74. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  75. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +1 -1
  76. package/lib/commonjs/mol-gl/shader/lines.frag.js +1 -1
  77. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  78. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  79. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +1 -1
  80. package/lib/commonjs/mol-gl/shader/points.frag.js +1 -1
  81. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  82. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  83. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +1 -1
  84. package/lib/commonjs/mol-gl/shader/text.frag.js +1 -1
  85. package/lib/commonjs/mol-gl/shader-code.d.ts +1 -1
  86. package/lib/commonjs/mol-gl/shader-code.js +41 -9
  87. package/lib/commonjs/mol-gl/webgl/compat.d.ts +34 -1
  88. package/lib/commonjs/mol-gl/webgl/compat.js +50 -2
  89. package/lib/commonjs/mol-gl/webgl/context.d.ts +2 -0
  90. package/lib/commonjs/mol-gl/webgl/context.js +3 -0
  91. package/lib/commonjs/mol-gl/webgl/extensions.d.ts +3 -2
  92. package/lib/commonjs/mol-gl/webgl/extensions.js +6 -1
  93. package/lib/commonjs/mol-gl/webgl/timer.d.ts +22 -0
  94. package/lib/commonjs/mol-gl/webgl/timer.js +169 -0
  95. package/lib/commonjs/mol-io/common/binary-cif/array-encoder.js +18 -18
  96. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +16 -16
  97. package/lib/commonjs/mol-io/common/binary-cif/encoding.js +9 -9
  98. package/lib/commonjs/mol-io/reader/cif/binary/field.js +3 -3
  99. package/lib/commonjs/mol-io/reader/cif/data-model.js +14 -14
  100. package/lib/commonjs/mol-io/reader/cif/schema.js +1 -1
  101. package/lib/commonjs/mol-io/reader/cif/text/parser.js +23 -23
  102. package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +1 -1
  103. package/lib/commonjs/mol-io/reader/common/text/column/token.js +1 -1
  104. package/lib/commonjs/mol-io/reader/common/text/number-parser.js +6 -6
  105. package/lib/commonjs/mol-io/reader/csv/parser.js +8 -8
  106. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +10 -10
  107. package/lib/commonjs/mol-io/writer/cif/encoder/text.js +7 -7
  108. package/lib/commonjs/mol-io/writer/cif/encoder.js +8 -8
  109. package/lib/commonjs/mol-io/writer/mol2/encoder.js +4 -4
  110. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +13 -2
  111. package/lib/commonjs/mol-model/sequence/alignment/sequence.js +3 -3
  112. package/lib/commonjs/mol-model/sequence/sequence.js +9 -9
  113. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
  114. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  115. package/lib/commonjs/mol-model/structure/export/categories/utils.js +1 -1
  116. package/lib/commonjs/mol-model/structure/model/model.js +2 -2
  117. package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js +6 -6
  118. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
  119. package/lib/commonjs/mol-model/structure/model/types.js +116 -116
  120. package/lib/commonjs/mol-model/structure/query/context.js +1 -1
  121. package/lib/commonjs/mol-model/structure/query/queries/generators.js +5 -5
  122. package/lib/commonjs/mol-model/structure/query/queries/internal.js +4 -4
  123. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +4 -4
  124. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  125. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +9 -9
  126. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +106 -106
  127. package/lib/commonjs/mol-model/structure/structure/element/loci.js +5 -5
  128. package/lib/commonjs/mol-model/structure/structure/element/stats.js +5 -5
  129. package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
  130. package/lib/commonjs/mol-model/structure/structure/structure.js +11 -11
  131. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
  132. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
  133. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +2 -2
  134. package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +1 -1
  135. package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +6 -6
  136. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +6 -6
  137. package/lib/commonjs/mol-model/structure/structure/unit.js +16 -16
  138. package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
  139. package/lib/commonjs/mol-model/structure/util.js +4 -4
  140. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -2
  141. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +4 -4
  142. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +1 -1
  143. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +1 -1
  144. package/lib/commonjs/mol-model-formats/structure/basic/util.js +1 -1
  145. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  146. package/lib/commonjs/mol-model-formats/structure/common/entity.js +1 -1
  147. package/lib/commonjs/mol-model-formats/structure/cube.js +1 -1
  148. package/lib/commonjs/mol-model-formats/structure/gro.js +1 -1
  149. package/lib/commonjs/mol-model-formats/structure/mol.js +1 -1
  150. package/lib/commonjs/mol-model-formats/structure/mol2.js +4 -4
  151. package/lib/commonjs/mol-model-formats/structure/prmtop.js +1 -1
  152. package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
  153. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  154. package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
  155. package/lib/commonjs/mol-model-formats/structure/property/secondary-structure.js +8 -8
  156. package/lib/commonjs/mol-model-formats/structure/psf.js +1 -1
  157. package/lib/commonjs/mol-model-formats/structure/top.js +1 -1
  158. package/lib/commonjs/mol-model-formats/structure/xyz.js +1 -1
  159. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
  160. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
  161. package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +2 -2
  162. package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +31 -31
  163. package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +22 -22
  164. package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +32 -32
  165. package/lib/commonjs/mol-model-props/computed/interactions/charged.js +39 -39
  166. package/lib/commonjs/mol-model-props/computed/interactions/common.js +34 -34
  167. package/lib/commonjs/mol-model-props/computed/interactions/contacts-builder.js +1 -1
  168. package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
  169. package/lib/commonjs/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
  170. package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
  171. package/lib/commonjs/mol-model-props/computed/interactions/hydrophobic.js +9 -9
  172. package/lib/commonjs/mol-model-props/computed/interactions/metal.js +26 -26
  173. package/lib/commonjs/mol-model-props/computed/interactions/refine.js +20 -20
  174. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  175. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  176. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
  177. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
  178. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
  179. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
  180. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
  181. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
  182. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +30 -30
  183. package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
  184. package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +10 -10
  185. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
  186. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
  187. package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +1 -1
  188. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
  189. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -1
  190. package/lib/commonjs/mol-plugin/animation-loop.js +18 -5
  191. package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +12 -12
  192. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +7 -7
  193. package/lib/commonjs/mol-plugin/context.d.ts +2 -2
  194. package/lib/commonjs/mol-plugin/state.d.ts +1 -14
  195. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +12 -11
  196. package/lib/commonjs/mol-plugin-state/formats/volume.js +20 -13
  197. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +5 -5
  198. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  199. package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +1 -1
  200. package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
  201. package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +1 -1
  202. package/lib/commonjs/mol-plugin-ui/structure/focus.js +1 -1
  203. package/lib/commonjs/mol-plugin-ui/viewport.d.ts +2 -2
  204. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
  205. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
  206. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -12
  207. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +12 -12
  208. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
  209. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
  210. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
  211. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
  212. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  213. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  214. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
  215. package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -3
  216. package/lib/commonjs/mol-repr/structure/visual/util/link.js +30 -30
  217. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
  218. package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
  219. package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
  220. package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +6 -6
  221. package/lib/commonjs/mol-script/language/symbol-table/core.d.ts +2 -2
  222. package/lib/commonjs/mol-script/runtime/query/table.js +13 -13
  223. package/lib/commonjs/mol-state/object.d.ts +3 -3
  224. package/lib/commonjs/mol-task/util/user-timing.js +1 -1
  225. package/lib/commonjs/mol-theme/clipping.js +19 -19
  226. package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
  227. package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +1 -1
  228. package/lib/commonjs/mol-theme/color/chain-id.js +4 -4
  229. package/lib/commonjs/mol-theme/color/element-index.js +1 -1
  230. package/lib/commonjs/mol-theme/color/element-symbol.js +1 -1
  231. package/lib/commonjs/mol-theme/color/entity-id.js +4 -4
  232. package/lib/commonjs/mol-theme/color/entity-source.js +5 -4
  233. package/lib/commonjs/mol-theme/color/hydrophobicity.js +1 -1
  234. package/lib/commonjs/mol-theme/color/illustrative.js +1 -1
  235. package/lib/commonjs/mol-theme/color/model-index.js +1 -1
  236. package/lib/commonjs/mol-theme/color/molecule-type.js +8 -8
  237. package/lib/commonjs/mol-theme/color/occupancy.js +1 -1
  238. package/lib/commonjs/mol-theme/color/operator-hkl.js +1 -1
  239. package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
  240. package/lib/commonjs/mol-theme/color/partial-charge.js +1 -1
  241. package/lib/commonjs/mol-theme/color/polymer-id.js +4 -4
  242. package/lib/commonjs/mol-theme/color/polymer-index.js +1 -1
  243. package/lib/commonjs/mol-theme/color/residue-name.js +1 -1
  244. package/lib/commonjs/mol-theme/color/secondary-structure.js +12 -12
  245. package/lib/commonjs/mol-theme/color/sequence-id.js +7 -7
  246. package/lib/commonjs/mol-theme/color/shape-group.js +1 -1
  247. package/lib/commonjs/mol-theme/color/uncertainty.js +1 -1
  248. package/lib/commonjs/mol-theme/color/uniform.js +1 -1
  249. package/lib/commonjs/mol-theme/color/unit-index.js +1 -1
  250. package/lib/commonjs/mol-theme/color/volume-value.js +1 -1
  251. package/lib/commonjs/mol-theme/label.js +3 -3
  252. package/lib/commonjs/mol-util/binding.js +4 -4
  253. package/lib/commonjs/mol-util/debug.d.ts +6 -1
  254. package/lib/commonjs/mol-util/debug.js +11 -1
  255. package/lib/commonjs/mol-util/input/input-observer.js +20 -20
  256. package/lib/commonjs/mol-util/string-builder.js +1 -1
  257. package/lib/commonjs/servers/model/preprocess/converter.js +1 -1
  258. package/lib/commonjs/servers/model/server/query.js +1 -1
  259. package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -2
  260. package/lib/commonjs/servers/volume/server/algebra/coordinate.js +6 -6
  261. package/lib/commonjs/servers/volume/server/query/encode.js +1 -1
  262. package/lib/examples/alpha-orbitals/index.d.ts +1 -1
  263. package/lib/examples/alpha-orbitals/index.html +11 -0
  264. package/lib/examples/alpha-orbitals/index.js +4 -1
  265. package/lib/examples/basic-wrapper/custom-theme.js +1 -1
  266. package/lib/examples/proteopedia-wrapper/coloring.js +3 -3
  267. package/lib/extensions/alpha-orbitals/density.d.ts +1 -1
  268. package/lib/extensions/alpha-orbitals/density.js +6 -2
  269. package/lib/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  270. package/lib/extensions/alpha-orbitals/orbitals.js +6 -3
  271. package/lib/extensions/anvil/algorithm.js +1 -1
  272. package/lib/extensions/cellpack/color/generate.js +1 -1
  273. package/lib/extensions/cellpack/color/provided.js +1 -1
  274. package/lib/extensions/cellpack/state.js +1 -1
  275. package/lib/extensions/dnatco/confal-pyramids/color.js +1 -1
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  512. package/lib/servers/model/server/query.js +1 -1
  513. package/lib/servers/model/utils/fetch-retry.js +3 -2
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  516. package/package.json +8 -8
@@ -657,7 +657,7 @@ var ClippingStructureRepresentation3DFromScript = objects_1.PluginStateTransform
657
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  }, function (e) { return "".concat(clipping_1.Clipping.Groups.toNames(e.groups).length, " group(s)"); }, {
658
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  defaultValue: [{
659
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  script: (0, script_1.Script)('(sel.atom.all)', 'mol-script'),
660
- groups: 0 /* None */,
660
+ groups: 0 /* Clipping.Groups.Flag.None */,
661
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  }]
662
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  }),
663
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  }); }
@@ -706,7 +706,7 @@ var ClippingStructureRepresentation3DFromBundle = objects_1.PluginStateTransform
706
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  }, function (e) { return "".concat(clipping_1.Clipping.Groups.toNames(e.groups).length, " group(s)"); }, {
707
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  defaultValue: [{
708
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  bundle: structure_1.StructureElement.Bundle.Empty,
709
- groups: 0 /* None */,
709
+ groups: 0 /* Clipping.Groups.Flag.None */,
710
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  }],
711
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  isHidden: true
712
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  }),
@@ -94,7 +94,7 @@ export declare class LineGraphControl extends React.PureComponent<ParamProps<PD.
94
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  isOverPoint: boolean;
95
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  message: string;
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  };
97
- onHover: (point?: Vec2 | undefined) => void;
97
+ onHover: (point?: Vec2) => void;
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  onDrag: (point: Vec2) => void;
99
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  onChange: (value: PD.LineGraph['defaultValue']) => void;
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  toggleExpanded: (e: React.MouseEvent<HTMLButtonElement>) => void;
@@ -97,7 +97,7 @@ function createResidueQuery(chainGroupId, operatorName, label_seq_id) {
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  structure_1.StructureProperties.unit.operator_name(ctx.element) === operatorName);
98
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  },
99
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  residueTest: function (ctx) {
100
- if (ctx.element.unit.kind === 0 /* Atomic */) {
100
+ if (ctx.element.unit.kind === 0 /* Unit.Kind.Atomic */) {
101
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  return structure_1.StructureProperties.residue.label_seq_id(ctx.element) === label_seq_id;
102
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  }
103
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  else {
@@ -96,7 +96,7 @@ var Sequence = /** @class */ (function (_super) {
96
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  _this.lastMouseOverSeqIdx = seqIdx;
97
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  if (_this.mouseDownLoci !== undefined) {
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  var loci = _this.getLoci(seqIdx);
99
- _this.hover(loci, 0 /* None */, 0 /* None */, tslib_1.__assign(tslib_1.__assign({}, modifiers), { shift: true }));
99
+ _this.hover(loci, 0 /* ButtonsType.Flag.None */, 0 /* ButtonsType.Flag.None */, tslib_1.__assign(tslib_1.__assign({}, modifiers), { shift: true }));
100
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  }
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  else {
102
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  _this.highlightQueue.next({ seqIdx: seqIdx, buttons: buttons, button: button, modifiers: modifiers });
@@ -54,7 +54,7 @@ function getFocusEntries(structure) {
54
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  continue;
55
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  l.unit = ug.units[0];
56
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  l.element = ug.elements[0];
57
- var isMultiChain = structure_1.Unit.Traits.is(l.unit.traits, 1 /* MultiChain */);
57
+ var isMultiChain = structure_1.Unit.Traits.is(l.unit.traits, 1 /* Unit.Trait.MultiChain */);
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  var entityType = structure_1.StructureProperties.entity.type(l);
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  var isNonPolymer = entityType === 'non-polymer';
60
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  var isBranched = entityType === 'branched';
@@ -18,8 +18,8 @@ export declare class ViewportControls extends PluginUIComponent<ViewportControls
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  state: ViewportControlsState;
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  resetCamera: () => void;
20
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  private toggle;
21
- toggleSettingsExpanded: (e?: React.MouseEvent<HTMLButtonElement, MouseEvent> | undefined) => void;
22
- toggleScreenshotExpanded: (e?: React.MouseEvent<HTMLButtonElement, MouseEvent> | undefined) => void;
21
+ toggleSettingsExpanded: (e?: React.MouseEvent<HTMLButtonElement>) => void;
22
+ toggleScreenshotExpanded: (e?: React.MouseEvent<HTMLButtonElement>) => void;
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  toggleControls: () => void;
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  toggleExpanded: () => void;
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  setSettings: (p: {
@@ -118,21 +118,21 @@ function getInterUnitBondCylinderBuilderProps(structure, theme, props) {
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  style: function (edgeIndex) {
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  var o = edges[edgeIndex].props.order;
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  var f = mol_util_1.BitFlags.create(edges[edgeIndex].props.flag);
121
- if (types_1.BondType.is(f, 2 /* MetallicCoordination */) || types_1.BondType.is(f, 4 /* HydrogenBond */)) {
121
+ if (types_1.BondType.is(f, 2 /* BondType.Flag.MetallicCoordination */) || types_1.BondType.is(f, 4 /* BondType.Flag.HydrogenBond */)) {
122
122
  // show metallic coordinations and hydrogen bonds with dashed cylinders
123
- return 1 /* Dashed */;
123
+ return 1 /* LinkStyle.Dashed */;
124
124
  }
125
125
  else if (o === 3) {
126
- return mbOff ? 0 /* Solid */ :
127
- mbSymmetric ? 4 /* Triple */ :
128
- 5 /* OffsetTriple */;
126
+ return mbOff ? 0 /* LinkStyle.Solid */ :
127
+ mbSymmetric ? 4 /* LinkStyle.Triple */ :
128
+ 5 /* LinkStyle.OffsetTriple */;
129
129
  }
130
- else if (aromaticBonds && types_1.BondType.is(f, 16 /* Aromatic */)) {
131
- return 7 /* Aromatic */;
130
+ else if (aromaticBonds && types_1.BondType.is(f, 16 /* BondType.Flag.Aromatic */)) {
131
+ return 7 /* LinkStyle.Aromatic */;
132
132
  }
133
- return (o !== 2 || mbOff) ? 0 /* Solid */ :
134
- mbSymmetric ? 2 /* Double */ :
135
- 3 /* OffsetDouble */;
133
+ return (o !== 2 || mbOff) ? 0 /* LinkStyle.Solid */ :
134
+ mbSymmetric ? 2 /* LinkStyle.Double */ :
135
+ 3 /* LinkStyle.OffsetDouble */;
136
136
  },
137
137
  radius: function (edgeIndex) {
138
138
  return radius(edgeIndex) * sizeAspectRatio;
@@ -70,21 +70,21 @@ function createInterUnitBondLines(ctx, structure, theme, props, lines) {
70
70
  style: function (edgeIndex) {
71
71
  var o = edges[edgeIndex].props.order;
72
72
  var f = mol_util_1.BitFlags.create(edges[edgeIndex].props.flag);
73
- if (types_1.BondType.is(f, 2 /* MetallicCoordination */) || types_1.BondType.is(f, 4 /* HydrogenBond */)) {
73
+ if (types_1.BondType.is(f, 2 /* BondType.Flag.MetallicCoordination */) || types_1.BondType.is(f, 4 /* BondType.Flag.HydrogenBond */)) {
74
74
  // show metallic coordinations and hydrogen bonds with dashed cylinders
75
- return 1 /* Dashed */;
75
+ return 1 /* LinkStyle.Dashed */;
76
76
  }
77
77
  else if (o === 3) {
78
- return mbOff ? 0 /* Solid */ :
79
- mbSymmetric ? 4 /* Triple */ :
80
- 5 /* OffsetTriple */;
78
+ return mbOff ? 0 /* LinkStyle.Solid */ :
79
+ mbSymmetric ? 4 /* LinkStyle.Triple */ :
80
+ 5 /* LinkStyle.OffsetTriple */;
81
81
  }
82
- else if (aromaticBonds && types_1.BondType.is(f, 16 /* Aromatic */)) {
83
- return 7 /* Aromatic */;
82
+ else if (aromaticBonds && types_1.BondType.is(f, 16 /* BondType.Flag.Aromatic */)) {
83
+ return 7 /* LinkStyle.Aromatic */;
84
84
  }
85
- return (o !== 2 || mbOff) ? 0 /* Solid */ :
86
- mbSymmetric ? 2 /* Double */ :
87
- 3 /* OffsetDouble */;
85
+ return (o !== 2 || mbOff) ? 0 /* LinkStyle.Solid */ :
86
+ mbSymmetric ? 2 /* LinkStyle.Double */ :
87
+ 3 /* LinkStyle.OffsetDouble */;
88
88
  },
89
89
  radius: function (edgeIndex) {
90
90
  var b = edges[edgeIndex];
@@ -34,7 +34,7 @@ function getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props) {
34
34
  var mbSymmetric = multipleBonds === 'symmetric';
35
35
  var include = types_1.BondType.fromNames(includeTypes);
36
36
  var exclude = types_1.BondType.fromNames(excludeTypes);
37
- var ignoreComputedAromatic = (0, bond_1.ignoreBondType)(include, exclude, 32 /* Computed */);
37
+ var ignoreComputedAromatic = (0, bond_1.ignoreBondType)(include, exclude, 32 /* BondType.Flag.Computed */);
38
38
  var vRef = (0, linear_algebra_1.Vec3)(), delta = (0, linear_algebra_1.Vec3)();
39
39
  var pos = unit.conformation.invariantPosition;
40
40
  var stub;
@@ -118,35 +118,35 @@ function getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props) {
118
118
  style: function (edgeIndex) {
119
119
  var o = _order[edgeIndex];
120
120
  var f = _flags[edgeIndex];
121
- if (isBondType(f, 2 /* MetallicCoordination */) || isBondType(f, 4 /* HydrogenBond */)) {
121
+ if (isBondType(f, 2 /* BondType.Flag.MetallicCoordination */) || isBondType(f, 4 /* BondType.Flag.HydrogenBond */)) {
122
122
  // show metallic coordinations and hydrogen bonds with dashed cylinders
123
- return 1 /* Dashed */;
123
+ return 1 /* LinkStyle.Dashed */;
124
124
  }
125
125
  else if (o === 3) {
126
- return mbOff ? 0 /* Solid */ :
127
- mbSymmetric ? 4 /* Triple */ :
128
- 5 /* OffsetTriple */;
126
+ return mbOff ? 0 /* LinkStyle.Solid */ :
127
+ mbSymmetric ? 4 /* LinkStyle.Triple */ :
128
+ 5 /* LinkStyle.OffsetTriple */;
129
129
  }
130
130
  else if (aromaticBonds) {
131
131
  var aI = a[edgeIndex], bI = b[edgeIndex];
132
132
  var aR = elementAromaticRingIndices.get(aI);
133
133
  var bR = elementAromaticRingIndices.get(bI);
134
134
  var arCount = (aR && bR) ? (0, array_1.arrayIntersectionSize)(aR, bR) : 0;
135
- if (isBondType(f, 16 /* Aromatic */) || (arCount && !ignoreComputedAromatic)) {
135
+ if (isBondType(f, 16 /* BondType.Flag.Aromatic */) || (arCount && !ignoreComputedAromatic)) {
136
136
  if (arCount === 2) {
137
- return 8 /* MirroredAromatic */;
137
+ return 8 /* LinkStyle.MirroredAromatic */;
138
138
  }
139
139
  else if (arCount === 1 || (deloTriplets === null || deloTriplets === void 0 ? void 0 : deloTriplets.getThirdElement(aI, bI))) {
140
- return 7 /* Aromatic */;
140
+ return 7 /* LinkStyle.Aromatic */;
141
141
  }
142
142
  else {
143
143
  // case for bonds between two aromatic rings
144
144
  }
145
145
  }
146
146
  }
147
- return (o !== 2 || mbOff) ? 0 /* Solid */ :
148
- mbSymmetric ? 2 /* Double */ :
149
- 3 /* OffsetDouble */;
147
+ return (o !== 2 || mbOff) ? 0 /* LinkStyle.Solid */ :
148
+ mbSymmetric ? 2 /* LinkStyle.Double */ :
149
+ 3 /* LinkStyle.OffsetDouble */;
150
150
  },
151
151
  radius: function (edgeIndex) {
152
152
  return radius(edgeIndex) * sizeAspectRatio;
@@ -40,7 +40,7 @@ function createIntraUnitBondLines(ctx, unit, structure, theme, props, lines) {
40
40
  var mbSymmetric = multipleBonds === 'symmetric';
41
41
  var include = types_1.BondType.fromNames(includeTypes);
42
42
  var exclude = types_1.BondType.fromNames(excludeTypes);
43
- var ignoreComputedAromatic = (0, bond_1.ignoreBondType)(include, exclude, 32 /* Computed */);
43
+ var ignoreComputedAromatic = (0, bond_1.ignoreBondType)(include, exclude, 32 /* BondType.Flag.Computed */);
44
44
  var vRef = (0, linear_algebra_1.Vec3)();
45
45
  var pos = unit.conformation.invariantPosition;
46
46
  var _a = unit.rings, elementRingIndices = _a.elementRingIndices, elementAromaticRingIndices = _a.elementAromaticRingIndices;
@@ -86,35 +86,35 @@ function createIntraUnitBondLines(ctx, unit, structure, theme, props, lines) {
86
86
  style: function (edgeIndex) {
87
87
  var o = _order[edgeIndex];
88
88
  var f = _flags[edgeIndex];
89
- if (isBondType(f, 2 /* MetallicCoordination */) || isBondType(f, 4 /* HydrogenBond */)) {
89
+ if (isBondType(f, 2 /* BondType.Flag.MetallicCoordination */) || isBondType(f, 4 /* BondType.Flag.HydrogenBond */)) {
90
90
  // show metallic coordinations and hydrogen bonds with dashed cylinders
91
- return 1 /* Dashed */;
91
+ return 1 /* LinkStyle.Dashed */;
92
92
  }
93
93
  else if (o === 3) {
94
- return mbOff ? 0 /* Solid */ :
95
- mbSymmetric ? 4 /* Triple */ :
96
- 5 /* OffsetTriple */;
94
+ return mbOff ? 0 /* LinkStyle.Solid */ :
95
+ mbSymmetric ? 4 /* LinkStyle.Triple */ :
96
+ 5 /* LinkStyle.OffsetTriple */;
97
97
  }
98
98
  else if (aromaticBonds) {
99
99
  var aI = a[edgeIndex], bI = b[edgeIndex];
100
100
  var aR = elementAromaticRingIndices.get(aI);
101
101
  var bR = elementAromaticRingIndices.get(bI);
102
102
  var arCount = (aR && bR) ? (0, array_1.arrayIntersectionSize)(aR, bR) : 0;
103
- if (isBondType(f, 16 /* Aromatic */) || (arCount && !ignoreComputedAromatic)) {
103
+ if (isBondType(f, 16 /* BondType.Flag.Aromatic */) || (arCount && !ignoreComputedAromatic)) {
104
104
  if (arCount === 2) {
105
- return 8 /* MirroredAromatic */;
105
+ return 8 /* LinkStyle.MirroredAromatic */;
106
106
  }
107
107
  else if (arCount === 1 || (deloTriplets === null || deloTriplets === void 0 ? void 0 : deloTriplets.getThirdElement(aI, bI))) {
108
- return 7 /* Aromatic */;
108
+ return 7 /* LinkStyle.Aromatic */;
109
109
  }
110
110
  else {
111
111
  // case for bonds between two aromatic rings
112
112
  }
113
113
  }
114
114
  }
115
- return (o !== 2 || mbOff) ? 0 /* Solid */ :
116
- mbSymmetric ? 2 /* Double */ :
117
- 3 /* OffsetDouble */;
115
+ return (o !== 2 || mbOff) ? 0 /* LinkStyle.Solid */ :
116
+ mbSymmetric ? 2 /* LinkStyle.Double */ :
117
+ 3 /* LinkStyle.OffsetDouble */;
118
118
  },
119
119
  radius: function (edgeIndex) {
120
120
  location.element = elements[a[edgeIndex]];
@@ -61,47 +61,47 @@ function createCarbohydrateSymbolMesh(ctx, structure, theme, props, mesh) {
61
61
  linear_algebra_1.Mat4.setTranslation(t, center);
62
62
  builderState.currentGroup = i * 2;
63
63
  switch (shapeType) {
64
- case 0 /* FilledSphere */:
64
+ case 0 /* SaccharideShape.FilledSphere */:
65
65
  (0, sphere_1.addSphere)(builderState, center, radius, detail);
66
66
  break;
67
- case 1 /* FilledCube */:
67
+ case 1 /* SaccharideShape.FilledCube */:
68
68
  linear_algebra_1.Mat4.scaleUniformly(t, t, side);
69
69
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, box);
70
70
  break;
71
- case 2 /* CrossedCube */:
71
+ case 2 /* SaccharideShape.CrossedCube */:
72
72
  linear_algebra_1.Mat4.scaleUniformly(t, t, side);
73
73
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, perforatedBox);
74
74
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZ90X180);
75
75
  builderState.currentGroup += 1;
76
76
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, perforatedBox);
77
77
  break;
78
- case 4 /* FilledCone */:
78
+ case 4 /* SaccharideShape.FilledCone */:
79
79
  linear_algebra_1.Mat4.scaleUniformly(t, t, side * 1.2);
80
80
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, octagonalPyramid);
81
81
  break;
82
- case 5 /* DevidedCone */:
82
+ case 5 /* SaccharideShape.DevidedCone */:
83
83
  linear_algebra_1.Mat4.scaleUniformly(t, t, side * 1.2);
84
84
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, perforatedOctagonalPyramid);
85
85
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZ90);
86
86
  builderState.currentGroup += 1;
87
87
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, perforatedOctagonalPyramid);
88
88
  break;
89
- case 6 /* FlatBox */:
89
+ case 6 /* SaccharideShape.FlatBox */:
90
90
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
91
91
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side, side, side / 2));
92
92
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, box);
93
93
  break;
94
- case 7 /* FilledStar */:
94
+ case 7 /* SaccharideShape.FilledStar */:
95
95
  linear_algebra_1.Mat4.scaleUniformly(t, t, side);
96
96
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
97
97
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, star);
98
98
  break;
99
- case 8 /* FilledDiamond */:
99
+ case 8 /* SaccharideShape.FilledDiamond */:
100
100
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
101
101
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side * 1.4, side * 1.4, side * 1.4));
102
102
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, octahedron);
103
103
  break;
104
- case 3 /* DividedDiamond */:
104
+ case 3 /* SaccharideShape.DividedDiamond */:
105
105
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
106
106
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side * 1.4, side * 1.4, side * 1.4));
107
107
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, perforatedOctahedron);
@@ -109,33 +109,33 @@ function createCarbohydrateSymbolMesh(ctx, structure, theme, props, mesh) {
109
109
  builderState.currentGroup += 1;
110
110
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, perforatedOctahedron);
111
111
  break;
112
- case 9 /* FlatDiamond */:
112
+ case 9 /* SaccharideShape.FlatDiamond */:
113
113
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
114
114
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side, side / 2, side / 2));
115
115
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, diamondPrism);
116
116
  break;
117
- case 12 /* DiamondPrism */:
117
+ case 12 /* SaccharideShape.DiamondPrism */:
118
118
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
119
119
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side, side, side / 2));
120
120
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, diamondPrism);
121
121
  break;
122
- case 13 /* PentagonalPrism */:
123
- case 11 /* Pentagon */:
122
+ case 13 /* SaccharideShape.PentagonalPrism */:
123
+ case 11 /* SaccharideShape.Pentagon */:
124
124
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
125
125
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side, side, side / 2));
126
126
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, pentagonalPrism);
127
127
  break;
128
- case 14 /* HexagonalPrism */:
128
+ case 14 /* SaccharideShape.HexagonalPrism */:
129
129
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
130
130
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side, side, side / 2));
131
131
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, hexagonalPrism);
132
132
  break;
133
- case 15 /* HeptagonalPrism */:
133
+ case 15 /* SaccharideShape.HeptagonalPrism */:
134
134
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZY90);
135
135
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side, side, side / 2));
136
136
  mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, heptagonalPrism);
137
137
  break;
138
- case 10 /* FlatHexagon */:
138
+ case 10 /* SaccharideShape.FlatHexagon */:
139
139
  default:
140
140
  linear_algebra_1.Mat4.mul(t, t, linear_algebra_1.Mat4.rotZYZ90);
141
141
  linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.set(sVec, side / 1.5, side, side / 2));
@@ -54,7 +54,7 @@ function createCarbohydrateTerminalLinkCylinderMesh(ctx, structure, theme, props
54
54
  var l = terminalLinks[edgeIndex];
55
55
  var eI = l.elementUnit.elements[l.elementIndex];
56
56
  var beI = (0, common_1.getElementIdx)(l.elementUnit.model.atomicHierarchy.atoms.type_symbol.value(eI));
57
- return common_1.MetalsSet.has(beI) ? 1 /* Dashed */ : 0 /* Solid */;
57
+ return common_1.MetalsSet.has(beI) ? 1 /* LinkStyle.Dashed */ : 0 /* LinkStyle.Solid */;
58
58
  }
59
59
  };
60
60
  var _b = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _b.mesh, boundingSphere = _b.boundingSphere;
@@ -22,6 +22,7 @@ var color_smoothing_1 = require("../../../mol-geo/geometry/mesh/color-smoothing"
22
22
  var color_smoothing_2 = require("../../../mol-geo/geometry/texture-mesh/color-smoothing");
23
23
  var base_1 = require("../../../mol-geo/geometry/base");
24
24
  var linear_algebra_1 = require("../../../mol-math/linear-algebra");
25
+ var debug_1 = require("../../../mol-util/debug");
25
26
  var SharedParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, gaussian_1.GaussianDensityParams), base_1.ColorSmoothingParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), tryUseGpu: param_definition_1.ParamDefinition.Boolean(true), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
26
27
  exports.GaussianSurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsTextureMeshParams), SharedParams);
27
28
  exports.StructureGaussianSurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), complex_visual_1.ComplexTextureMeshParams), SharedParams);
@@ -217,6 +218,8 @@ function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, te
217
218
  case 0:
218
219
  if (!ctx.webgl)
219
220
  throw new Error('webgl context required to create gaussian surface texture-mesh');
221
+ if (debug_1.isTimingMode)
222
+ ctx.webgl.timer.mark('createGaussianSurfaceTextureMesh');
220
223
  _a = ctx.webgl, namedTextures = _a.namedTextures, resources = _a.resources, _b = _a.extensions, colorBufferFloat = _b.colorBufferFloat, textureFloat = _b.textureFloat, colorBufferHalfFloat = _b.colorBufferHalfFloat, textureHalfFloat = _b.textureHalfFloat;
221
224
  if (!namedTextures[GaussianSurfaceName]) {
222
225
  namedTextures[GaussianSurfaceName] = colorBufferHalfFloat && textureHalfFloat
@@ -232,6 +235,8 @@ function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, te
232
235
  axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
233
236
  buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
234
237
  gv = (0, isosurface_1.extractIsosurface)(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
238
+ if (debug_1.isTimingMode)
239
+ ctx.webgl.timer.markEnd('createGaussianSurfaceTextureMesh');
235
240
  boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, densityTextureData.maxRadius);
236
241
  surface = texture_mesh_1.TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
237
242
  surface.meta.resolution = densityTextureData.resolution;
@@ -301,6 +306,8 @@ function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props,
301
306
  case 0:
302
307
  if (!ctx.webgl)
303
308
  throw new Error('webgl context required to create structure gaussian surface texture-mesh');
309
+ if (debug_1.isTimingMode)
310
+ ctx.webgl.timer.mark('createStructureGaussianSurfaceTextureMesh');
304
311
  _a = ctx.webgl, namedTextures = _a.namedTextures, resources = _a.resources, _b = _a.extensions, colorBufferFloat = _b.colorBufferFloat, textureFloat = _b.textureFloat, colorBufferHalfFloat = _b.colorBufferHalfFloat, textureHalfFloat = _b.textureHalfFloat;
305
312
  if (!namedTextures[GaussianSurfaceName]) {
306
313
  namedTextures[GaussianSurfaceName] = colorBufferHalfFloat && textureHalfFloat
@@ -316,6 +323,8 @@ function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props,
316
323
  axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
317
324
  buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
318
325
  gv = (0, isosurface_1.extractIsosurface)(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
326
+ if (debug_1.isTimingMode)
327
+ ctx.webgl.timer.markEnd('createStructureGaussianSurfaceTextureMesh');
319
328
  boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, densityTextureData.maxRadius);
320
329
  surface = texture_mesh_1.TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
321
330
  surface.meta.resolution = densityTextureData.resolution;
@@ -35,9 +35,9 @@ function OrientationEllipsoidMeshVisual(materialId) {
35
35
  }
36
36
  exports.OrientationEllipsoidMeshVisual = OrientationEllipsoidMeshVisual;
37
37
  function isUnitApplicable(unit) {
38
- if (structure_1.Unit.Traits.is(unit.traits, 1 /* MultiChain */))
38
+ if (structure_1.Unit.Traits.is(unit.traits, 1 /* Unit.Trait.MultiChain */))
39
39
  return false;
40
- if (structure_1.Unit.Traits.is(unit.traits, 2 /* Partitioned */))
40
+ if (structure_1.Unit.Traits.is(unit.traits, 2 /* Unit.Trait.Partitioned */))
41
41
  return false;
42
42
  if (structure_1.Unit.isCoarse(unit))
43
43
  return true;
@@ -46,9 +46,9 @@ function isUnitApplicable(unit) {
46
46
  unit.model.atomicHierarchy.derived.residue.moleculeType;
47
47
  var rI = unit.residueIndex[unit.elements[0]];
48
48
  var mt = unit.model.atomicHierarchy.derived.residue.moleculeType[rI];
49
- if (mt === 3 /* Ion */)
49
+ if (mt === 3 /* MoleculeType.Ion */)
50
50
  return false;
51
- if (mt === 2 /* Water */)
51
+ if (mt === 2 /* MoleculeType.Water */)
52
52
  return false;
53
53
  return true;
54
54
  }
@@ -45,7 +45,7 @@ function createPolymerDirectionWedgeMesh(ctx, unit, structure, theme, props, mes
45
45
  var v = polymerTraceIt.move();
46
46
  builderState.currentGroup = i;
47
47
  var isNucleicType = (0, types_1.isNucleic)(v.moleculeType);
48
- var isSheet = types_1.SecondaryStructureType.is(v.secStrucType, 4 /* Beta */);
48
+ var isSheet = types_1.SecondaryStructureType.is(v.secStrucType, 4 /* SecondaryStructureType.Flag.Beta */);
49
49
  var tension = (isNucleicType || isSheet) ? 0.5 : 0.9;
50
50
  var shift = isNucleicType ? 0.3 : 0.5;
51
51
  (0, polymer_1.interpolateCurveSegment)(state, v, tension, shift);
@@ -50,8 +50,8 @@ function createPolymerTraceMesh(ctx, unit, structure, theme, props, mesh) {
50
50
  var v = polymerTraceIt.move();
51
51
  builderState.currentGroup = i;
52
52
  var isNucleicType = (0, types_1.isNucleic)(v.moleculeType);
53
- var isSheet = types_1.SecondaryStructureType.is(v.secStrucType, 4 /* Beta */);
54
- var isHelix = types_1.SecondaryStructureType.is(v.secStrucType, 2 /* Helix */);
53
+ var isSheet = types_1.SecondaryStructureType.is(v.secStrucType, 4 /* SecondaryStructureType.Flag.Beta */);
54
+ var isHelix = types_1.SecondaryStructureType.is(v.secStrucType, 2 /* SecondaryStructureType.Flag.Helix */);
55
55
  var tension = isHelix && !tubularHelices ? polymer_1.HelixTension : polymer_1.StandardTension;
56
56
  var shift = isNucleicType ? polymer_1.NucleicShift : polymer_1.StandardShift;
57
57
  (0, polymer_1.interpolateCurveSegment)(state, v, tension, shift);
@@ -41,7 +41,7 @@ function makeIntraBondIgnoreTest(structure, unit, props) {
41
41
  var ignoreHydrogens = props.ignoreHydrogens, includeTypes = props.includeTypes, excludeTypes = props.excludeTypes;
42
42
  var include = types_1.BondType.fromNames(includeTypes);
43
43
  var exclude = types_1.BondType.fromNames(excludeTypes);
44
- var allBondTypes = types_1.BondType.isAll(include) && 0 /* None */ === exclude;
44
+ var allBondTypes = types_1.BondType.isAll(include) && 0 /* BondType.Flag.None */ === exclude;
45
45
  var child = structure.child;
46
46
  var childUnit = child === null || child === void 0 ? void 0 : child.unitMap.get(unit.id);
47
47
  if (child && !childUnit)
@@ -61,7 +61,7 @@ function makeInterBondIgnoreTest(structure, props) {
61
61
  var ignoreHydrogens = props.ignoreHydrogens, includeTypes = props.includeTypes, excludeTypes = props.excludeTypes;
62
62
  var include = types_1.BondType.fromNames(includeTypes);
63
63
  var exclude = types_1.BondType.fromNames(excludeTypes);
64
- var allBondTypes = types_1.BondType.isAll(include) && 0 /* None */ === exclude;
64
+ var allBondTypes = types_1.BondType.isAll(include) && 0 /* BondType.Flag.None */ === exclude;
65
65
  var child = structure.child;
66
66
  if (allBondTypes && !ignoreHydrogens && !child)
67
67
  return;
@@ -128,9 +128,9 @@ function ensureReasonableResolution(box, props, maxCells) {
128
128
  exports.ensureReasonableResolution = ensureReasonableResolution;
129
129
  function getConformation(unit) {
130
130
  switch (unit.kind) {
131
- case 0 /* Atomic */: return unit.model.atomicConformation;
132
- case 1 /* Spheres */: return unit.model.coarseConformation.spheres;
133
- case 2 /* Gaussians */: return unit.model.coarseConformation.gaussians;
131
+ case 0 /* Unit.Kind.Atomic */: return unit.model.atomicConformation;
132
+ case 1 /* Unit.Kind.Spheres */: return unit.model.coarseConformation.spheres;
133
+ case 2 /* Unit.Kind.Gaussians */: return unit.model.coarseConformation.gaussians;
134
134
  }
135
135
  }
136
136
  exports.getConformation = getConformation;