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
  276. package/lib/extensions/g3d/model.js +1 -1
  277. package/lib/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
  278. package/lib/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
  279. package/lib/extensions/pdbe/structure-quality-report/color.js +1 -1
  280. package/lib/extensions/rcsb/assembly-symmetry/color.js +4 -4
  281. package/lib/extensions/rcsb/validation-report/color/density-fit.js +1 -1
  282. package/lib/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
  283. package/lib/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
  284. package/lib/extensions/rcsb/validation-report/representation.js +2 -2
  285. package/lib/mol-canvas3d/canvas3d.js +5 -1
  286. package/lib/mol-canvas3d/controls/trackball.js +7 -7
  287. package/lib/mol-canvas3d/helper/camera-helper.js +14 -14
  288. package/lib/mol-canvas3d/helper/interaction-events.js +5 -5
  289. package/lib/mol-canvas3d/passes/draw.js +34 -5
  290. package/lib/mol-canvas3d/passes/fxaa.js +5 -0
  291. package/lib/mol-canvas3d/passes/marking.js +5 -0
  292. package/lib/mol-canvas3d/passes/multi-sample.js +9 -0
  293. package/lib/mol-canvas3d/passes/pick.d.ts +18 -5
  294. package/lib/mol-canvas3d/passes/pick.js +125 -24
  295. package/lib/mol-canvas3d/passes/postprocessing.js +5 -0
  296. package/lib/mol-canvas3d/passes/smaa.js +5 -1
  297. package/lib/mol-canvas3d/passes/wboit.js +5 -1
  298. package/lib/mol-data/db/column.js +5 -5
  299. package/lib/mol-data/db/table.js +2 -2
  300. package/lib/mol-data/util/array.d.ts +1 -1
  301. package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
  302. package/lib/mol-gl/compute/grid3d.d.ts +2 -2
  303. package/lib/mol-gl/compute/grid3d.js +30 -8
  304. package/lib/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
  305. package/lib/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
  306. package/lib/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
  307. package/lib/mol-gl/compute/histogram-pyramid/sum.js +6 -1
  308. package/lib/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
  309. package/lib/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
  310. package/lib/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
  311. package/lib/mol-gl/compute/marching-cubes/isosurface.js +10 -10
  312. package/lib/mol-gl/renderer.js +77 -32
  313. package/lib/mol-gl/scene.js +2 -0
  314. package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  315. package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  316. package/lib/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  317. package/lib/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  318. package/lib/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  319. package/lib/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  320. package/lib/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  321. package/lib/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  322. package/lib/mol-gl/shader/cylinders.frag.d.ts +1 -1
  323. package/lib/mol-gl/shader/cylinders.frag.js +1 -1
  324. package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  325. package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
  326. package/lib/mol-gl/shader/image.frag.d.ts +1 -1
  327. package/lib/mol-gl/shader/image.frag.js +1 -1
  328. package/lib/mol-gl/shader/lines.frag.d.ts +1 -1
  329. package/lib/mol-gl/shader/lines.frag.js +1 -1
  330. package/lib/mol-gl/shader/mesh.frag.d.ts +1 -1
  331. package/lib/mol-gl/shader/mesh.frag.js +1 -1
  332. package/lib/mol-gl/shader/points.frag.d.ts +1 -1
  333. package/lib/mol-gl/shader/points.frag.js +1 -1
  334. package/lib/mol-gl/shader/spheres.frag.d.ts +1 -1
  335. package/lib/mol-gl/shader/spheres.frag.js +1 -1
  336. package/lib/mol-gl/shader/text.frag.d.ts +1 -1
  337. package/lib/mol-gl/shader/text.frag.js +1 -1
  338. package/lib/mol-gl/shader-code.d.ts +1 -1
  339. package/lib/mol-gl/shader-code.js +41 -9
  340. package/lib/mol-gl/webgl/compat.d.ts +34 -1
  341. package/lib/mol-gl/webgl/compat.js +48 -1
  342. package/lib/mol-gl/webgl/context.d.ts +2 -0
  343. package/lib/mol-gl/webgl/context.js +3 -0
  344. package/lib/mol-gl/webgl/extensions.d.ts +3 -2
  345. package/lib/mol-gl/webgl/extensions.js +7 -2
  346. package/lib/mol-gl/webgl/timer.d.ts +22 -0
  347. package/lib/mol-gl/webgl/timer.js +164 -0
  348. package/lib/mol-io/common/binary-cif/array-encoder.js +18 -18
  349. package/lib/mol-io/common/binary-cif/decoder.js +16 -16
  350. package/lib/mol-io/common/binary-cif/encoding.js +9 -9
  351. package/lib/mol-io/reader/cif/binary/field.js +3 -3
  352. package/lib/mol-io/reader/cif/data-model.js +14 -14
  353. package/lib/mol-io/reader/cif/schema.js +1 -1
  354. package/lib/mol-io/reader/cif/text/parser.js +23 -23
  355. package/lib/mol-io/reader/common/text/column/fixed.js +1 -1
  356. package/lib/mol-io/reader/common/text/column/token.js +1 -1
  357. package/lib/mol-io/reader/common/text/number-parser.js +6 -6
  358. package/lib/mol-io/reader/csv/parser.js +8 -8
  359. package/lib/mol-io/writer/cif/encoder/binary.js +10 -10
  360. package/lib/mol-io/writer/cif/encoder/text.js +7 -7
  361. package/lib/mol-io/writer/cif/encoder.js +8 -8
  362. package/lib/mol-io/writer/mol2/encoder.js +4 -4
  363. package/lib/mol-math/geometry/gaussian-density/gpu.js +13 -2
  364. package/lib/mol-model/sequence/alignment/sequence.js +3 -3
  365. package/lib/mol-model/sequence/sequence.js +9 -9
  366. package/lib/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
  367. package/lib/mol-model/structure/export/categories/secondary-structure.js +2 -2
  368. package/lib/mol-model/structure/export/categories/utils.js +1 -1
  369. package/lib/mol-model/structure/model/model.js +2 -2
  370. package/lib/mol-model/structure/model/properties/custom/indexed.js +6 -6
  371. package/lib/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
  372. package/lib/mol-model/structure/model/types.js +116 -116
  373. package/lib/mol-model/structure/query/context.js +1 -1
  374. package/lib/mol-model/structure/query/queries/generators.js +5 -5
  375. package/lib/mol-model/structure/query/queries/internal.js +4 -4
  376. package/lib/mol-model/structure/query/queries/modifiers.js +4 -4
  377. package/lib/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  378. package/lib/mol-model/structure/query/utils/structure-distance.js +9 -9
  379. package/lib/mol-model/structure/structure/carbohydrates/constants.js +106 -106
  380. package/lib/mol-model/structure/structure/element/loci.js +5 -5
  381. package/lib/mol-model/structure/structure/element/stats.js +5 -5
  382. package/lib/mol-model/structure/structure/properties.js +5 -5
  383. package/lib/mol-model/structure/structure/structure.js +11 -11
  384. package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
  385. package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
  386. package/lib/mol-model/structure/structure/unit/bonds.js +2 -2
  387. package/lib/mol-model/structure/structure/unit/resonance.js +1 -1
  388. package/lib/mol-model/structure/structure/unit/rings/compute.js +6 -6
  389. package/lib/mol-model/structure/structure/unit/rings.js +6 -6
  390. package/lib/mol-model/structure/structure/unit.js +16 -16
  391. package/lib/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
  392. package/lib/mol-model/structure/util.js +4 -4
  393. package/lib/mol-model-formats/structure/basic/atomic.js +2 -2
  394. package/lib/mol-model-formats/structure/basic/parser.js +4 -4
  395. package/lib/mol-model-formats/structure/basic/properties.js +1 -1
  396. package/lib/mol-model-formats/structure/basic/sort.js +1 -1
  397. package/lib/mol-model-formats/structure/basic/util.js +1 -1
  398. package/lib/mol-model-formats/structure/cif-core.js +6 -6
  399. package/lib/mol-model-formats/structure/common/entity.js +1 -1
  400. package/lib/mol-model-formats/structure/cube.js +1 -1
  401. package/lib/mol-model-formats/structure/gro.js +1 -1
  402. package/lib/mol-model-formats/structure/mol.js +1 -1
  403. package/lib/mol-model-formats/structure/mol2.js +4 -4
  404. package/lib/mol-model-formats/structure/prmtop.js +1 -1
  405. package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
  406. package/lib/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  407. package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
  408. package/lib/mol-model-formats/structure/property/secondary-structure.js +8 -8
  409. package/lib/mol-model-formats/structure/psf.js +1 -1
  410. package/lib/mol-model-formats/structure/top.js +1 -1
  411. package/lib/mol-model-formats/structure/xyz.js +1 -1
  412. package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
  413. package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
  414. package/lib/mol-model-props/computed/accessible-surface-area.js +2 -2
  415. package/lib/mol-model-props/computed/chemistry/functional-group.js +31 -31
  416. package/lib/mol-model-props/computed/chemistry/geometry.js +22 -22
  417. package/lib/mol-model-props/computed/chemistry/valence-model.js +32 -32
  418. package/lib/mol-model-props/computed/interactions/charged.js +39 -39
  419. package/lib/mol-model-props/computed/interactions/common.js +34 -34
  420. package/lib/mol-model-props/computed/interactions/contacts-builder.js +1 -1
  421. package/lib/mol-model-props/computed/interactions/contacts.js +1 -1
  422. package/lib/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
  423. package/lib/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
  424. package/lib/mol-model-props/computed/interactions/hydrophobic.js +9 -9
  425. package/lib/mol-model-props/computed/interactions/metal.js +26 -26
  426. package/lib/mol-model-props/computed/interactions/refine.js +20 -20
  427. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  428. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  429. package/lib/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
  430. package/lib/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
  431. package/lib/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
  432. package/lib/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
  433. package/lib/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
  434. package/lib/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
  435. package/lib/mol-model-props/computed/secondary-structure/dssp.js +30 -30
  436. package/lib/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
  437. package/lib/mol-model-props/computed/themes/interaction-type.js +10 -10
  438. package/lib/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
  439. package/lib/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
  440. package/lib/mol-model-props/sequence/sifts-mapping.js +1 -1
  441. package/lib/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
  442. package/lib/mol-plugin/animation-loop.d.ts +2 -1
  443. package/lib/mol-plugin/animation-loop.js +18 -5
  444. package/lib/mol-plugin/behavior/dynamic/camera.js +12 -12
  445. package/lib/mol-plugin/behavior/dynamic/representation.js +7 -7
  446. package/lib/mol-plugin/context.d.ts +2 -2
  447. package/lib/mol-plugin/state.d.ts +1 -14
  448. package/lib/mol-plugin/version.js +2 -2
  449. package/lib/mol-plugin-state/formats/volume.d.ts +12 -11
  450. package/lib/mol-plugin-state/formats/volume.js +20 -13
  451. package/lib/mol-plugin-state/helpers/structure-selection-query.js +5 -5
  452. package/lib/mol-plugin-state/transforms/representation.js +2 -2
  453. package/lib/mol-plugin-ui/controls/parameters.d.ts +1 -1
  454. package/lib/mol-plugin-ui/sequence/polymer.js +1 -1
  455. package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
  456. package/lib/mol-plugin-ui/structure/focus.js +1 -1
  457. package/lib/mol-plugin-ui/viewport.d.ts +2 -2
  458. package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
  459. package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
  460. package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -12
  461. package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +12 -12
  462. package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
  463. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
  464. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
  465. package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
  466. package/lib/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  467. package/lib/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  468. package/lib/mol-repr/structure/visual/util/bond.js +2 -2
  469. package/lib/mol-repr/structure/visual/util/common.js +3 -3
  470. package/lib/mol-repr/structure/visual/util/link.js +30 -30
  471. package/lib/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
  472. package/lib/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
  473. package/lib/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
  474. package/lib/mol-repr/structure/visual/util/polymer.js +6 -6
  475. package/lib/mol-script/language/symbol-table/core.d.ts +2 -2
  476. package/lib/mol-script/runtime/query/table.js +13 -13
  477. package/lib/mol-state/object.d.ts +3 -3
  478. package/lib/mol-task/util/user-timing.js +1 -1
  479. package/lib/mol-theme/clipping.js +19 -19
  480. package/lib/mol-theme/color/atom-id.js +1 -1
  481. package/lib/mol-theme/color/carbohydrate-symbol.js +1 -1
  482. package/lib/mol-theme/color/chain-id.js +4 -4
  483. package/lib/mol-theme/color/element-index.js +1 -1
  484. package/lib/mol-theme/color/element-symbol.js +1 -1
  485. package/lib/mol-theme/color/entity-id.js +4 -4
  486. package/lib/mol-theme/color/entity-source.js +5 -4
  487. package/lib/mol-theme/color/hydrophobicity.js +1 -1
  488. package/lib/mol-theme/color/illustrative.js +1 -1
  489. package/lib/mol-theme/color/model-index.js +1 -1
  490. package/lib/mol-theme/color/molecule-type.js +8 -8
  491. package/lib/mol-theme/color/occupancy.js +1 -1
  492. package/lib/mol-theme/color/operator-hkl.js +1 -1
  493. package/lib/mol-theme/color/operator-name.js +1 -1
  494. package/lib/mol-theme/color/partial-charge.js +1 -1
  495. package/lib/mol-theme/color/polymer-id.js +4 -4
  496. package/lib/mol-theme/color/polymer-index.js +1 -1
  497. package/lib/mol-theme/color/residue-name.js +1 -1
  498. package/lib/mol-theme/color/secondary-structure.js +12 -12
  499. package/lib/mol-theme/color/sequence-id.js +7 -7
  500. package/lib/mol-theme/color/shape-group.js +1 -1
  501. package/lib/mol-theme/color/uncertainty.js +1 -1
  502. package/lib/mol-theme/color/uniform.js +1 -1
  503. package/lib/mol-theme/color/unit-index.js +1 -1
  504. package/lib/mol-theme/color/volume-value.js +1 -1
  505. package/lib/mol-theme/label.js +3 -3
  506. package/lib/mol-util/binding.js +4 -4
  507. package/lib/mol-util/debug.d.ts +6 -1
  508. package/lib/mol-util/debug.js +9 -1
  509. package/lib/mol-util/input/input-observer.js +20 -20
  510. package/lib/mol-util/string-builder.js +1 -1
  511. package/lib/servers/model/preprocess/converter.js +1 -1
  512. package/lib/servers/model/server/query.js +1 -1
  513. package/lib/servers/model/utils/fetch-retry.js +3 -2
  514. package/lib/servers/volume/server/algebra/coordinate.js +6 -6
  515. package/lib/servers/volume/server/query/encode.js +1 -1
  516. package/package.json +8 -8
@@ -107,31 +107,31 @@ function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
107
107
  v3sub(tmpV12, vb, va);
108
108
  var dirFlag = v3dot(tmpV12, up) > 0;
109
109
  var linkRadius = radius(edgeIndex);
110
- var linkStyle = style ? style(edgeIndex) : 0 /* Solid */;
110
+ var linkStyle = style ? style(edgeIndex) : 0 /* LinkStyle.Solid */;
111
111
  var linkStub = stubCap && (stub ? stub(edgeIndex) : false);
112
112
  var _a = dirFlag ? [linkStub, linkCap] : [linkCap, linkStub], topCap = _a[0], bottomCap = _a[1];
113
113
  builderState.currentGroup = edgeIndex;
114
114
  var aromaticSegmentCount = aromaticDashCount + 1;
115
- if (linkStyle === 0 /* Solid */) {
115
+ if (linkStyle === 0 /* LinkStyle.Solid */) {
116
116
  cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius;
117
117
  cylinderProps.topCap = topCap;
118
118
  cylinderProps.bottomCap = bottomCap;
119
119
  (0, cylinder_1.addCylinder)(builderState, va, vb, 0.5, cylinderProps);
120
120
  }
121
- else if (linkStyle === 1 /* Dashed */) {
121
+ else if (linkStyle === 1 /* LinkStyle.Dashed */) {
122
122
  cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius * dashScale;
123
123
  cylinderProps.topCap = cylinderProps.bottomCap = dashCap;
124
124
  (0, cylinder_1.addFixedCountDashedCylinder)(builderState, va, vb, 0.5, segmentCount, cylinderProps);
125
125
  }
126
- else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
127
- var order = (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */) ? 2 :
128
- (linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */) ? 3 : 1.5;
126
+ else if (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */ || linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
127
+ var order = (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */) ? 2 :
128
+ (linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) ? 3 : 1.5;
129
129
  var multiRadius = linkRadius * (linkScale / (0.5 * order));
130
130
  var absOffset = (linkRadius - multiRadius) * linkSpacing;
131
131
  calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
132
132
  cylinderProps.topCap = topCap;
133
133
  cylinderProps.bottomCap = bottomCap;
134
- if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
134
+ if (linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
135
135
  cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius;
136
136
  (0, cylinder_1.addCylinder)(builderState, va, vb, 0.5, cylinderProps);
137
137
  var aromaticOffset = linkRadius + aromaticScale * linkRadius + aromaticScale * linkRadius * aromaticSpacing;
@@ -144,14 +144,14 @@ function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
144
144
  v3sub(va, va, vShift);
145
145
  v3sub(vb, vb, vShift);
146
146
  (0, cylinder_1.addFixedCountDashedCylinder)(builderState, va, vb, 0.5, aromaticSegmentCount, cylinderProps);
147
- if (linkStyle === 8 /* MirroredAromatic */) {
147
+ if (linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
148
148
  v3setMagnitude(vShift, vShift, aromaticOffset * 2);
149
149
  v3add(va, va, vShift);
150
150
  v3add(vb, vb, vShift);
151
151
  (0, cylinder_1.addFixedCountDashedCylinder)(builderState, va, vb, 0.5, aromaticSegmentCount, cylinderProps);
152
152
  }
153
153
  }
154
- else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
154
+ else if (linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) {
155
155
  var multipleOffset = linkRadius + multiRadius + linkScale * linkRadius * linkSpacing;
156
156
  v3setMagnitude(vShift, vShift, multipleOffset);
157
157
  cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius;
@@ -181,7 +181,7 @@ function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
181
181
  (0, cylinder_1.addDoubleCylinder)(builderState, va, vb, 0.5, vShift, cylinderProps);
182
182
  }
183
183
  }
184
- else if (linkStyle === 6 /* Disk */) {
184
+ else if (linkStyle === 6 /* LinkStyle.Disk */) {
185
185
  v3scale(tmpV12, tmpV12, 0.475);
186
186
  v3add(va, va, tmpV12);
187
187
  v3sub(vb, vb, tmpV12);
@@ -235,25 +235,25 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
235
235
  v3add(center, center, vb);
236
236
  count += 2;
237
237
  var linkRadius = radius(edgeIndex);
238
- var linkStyle = style ? style(edgeIndex) : 0 /* Solid */;
238
+ var linkStyle = style ? style(edgeIndex) : 0 /* LinkStyle.Solid */;
239
239
  var linkStub = stubCap && (stub ? stub(edgeIndex) : false);
240
- if (linkStyle === 0 /* Solid */) {
240
+ if (linkStyle === 0 /* LinkStyle.Solid */) {
241
241
  v3scale(vm, v3add(vm, va, vb), 0.5);
242
242
  builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex);
243
243
  }
244
- else if (linkStyle === 1 /* Dashed */) {
244
+ else if (linkStyle === 1 /* LinkStyle.Dashed */) {
245
245
  v3scale(tmpV12, v3sub(tmpV12, vb, va), lengthScale);
246
246
  v3sub(vb, vb, tmpV12);
247
247
  builder.addFixedCountDashes(va, vb, segmentCount, dashScale, dashCap, dashCap, edgeIndex);
248
248
  }
249
- else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
250
- var order = (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */) ? 2 :
251
- (linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */) ? 3 : 1.5;
249
+ else if (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */ || linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
250
+ var order = (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */) ? 2 :
251
+ (linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) ? 3 : 1.5;
252
252
  var multiScale = linkScale / (0.5 * order);
253
253
  var absOffset = (linkRadius - multiScale * linkRadius) * linkSpacing;
254
254
  v3scale(vm, v3add(vm, va, vb), 0.5);
255
255
  calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
256
- if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
256
+ if (linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
257
257
  builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex);
258
258
  var aromaticOffset = linkRadius + aromaticScale * linkRadius + aromaticScale * linkRadius * aromaticSpacing;
259
259
  v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale);
@@ -264,14 +264,14 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
264
264
  v3sub(va, va, vShift);
265
265
  v3sub(vb, vb, vShift);
266
266
  builder.addFixedCountDashes(va, vb, aromaticSegmentCount, aromaticScale, dashCap, dashCap, edgeIndex);
267
- if (linkStyle === 8 /* MirroredAromatic */) {
267
+ if (linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
268
268
  v3setMagnitude(vShift, vShift, aromaticOffset * 2);
269
269
  v3add(va, va, vShift);
270
270
  v3add(vb, vb, vShift);
271
271
  builder.addFixedCountDashes(va, vb, aromaticSegmentCount, aromaticScale, dashCap, dashCap, edgeIndex);
272
272
  }
273
273
  }
274
- else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
274
+ else if (linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) {
275
275
  var multipleOffset = linkRadius + multiScale * linkRadius + linkScale * linkRadius * linkSpacing;
276
276
  v3setMagnitude(vShift, vShift, multipleOffset);
277
277
  builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex);
@@ -289,7 +289,7 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
289
289
  builder.add(va[0] - vShift[0], va[1] - vShift[1], va[2] - vShift[2], vm[0] - vShift[0], vm[1] - vShift[1], vm[2] - vShift[2], multiScale, linkCap, linkStub, edgeIndex);
290
290
  }
291
291
  }
292
- else if (linkStyle === 6 /* Disk */) {
292
+ else if (linkStyle === 6 /* LinkStyle.Disk */) {
293
293
  v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475);
294
294
  v3add(va, va, tmpV12);
295
295
  v3sub(vb, vb, tmpV12);
@@ -341,24 +341,24 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
341
341
  v3add(center, center, va);
342
342
  v3add(center, center, vb);
343
343
  count += 2;
344
- var linkStyle = style ? style(edgeIndex) : 0 /* Solid */;
345
- if (linkStyle === 0 /* Solid */) {
344
+ var linkStyle = style ? style(edgeIndex) : 0 /* LinkStyle.Solid */;
345
+ if (linkStyle === 0 /* LinkStyle.Solid */) {
346
346
  v3scale(vm, v3add(vm, va, vb), 0.5);
347
347
  builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
348
348
  }
349
- else if (linkStyle === 1 /* Dashed */) {
349
+ else if (linkStyle === 1 /* LinkStyle.Dashed */) {
350
350
  v3scale(tmpV12, v3sub(tmpV12, vb, va), lengthScale);
351
351
  v3sub(vb, vb, tmpV12);
352
352
  builder.addFixedCountDashes(va, vb, segmentCount, edgeIndex);
353
353
  }
354
- else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
355
- var order = linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ ? 2 :
356
- linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ ? 3 : 1.5;
354
+ else if (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */ || linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
355
+ var order = linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */ ? 2 :
356
+ linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */ ? 3 : 1.5;
357
357
  var multiRadius = 1 * (linkScale / (0.5 * order));
358
358
  var absOffset = (1 - multiRadius) * linkSpacing;
359
359
  v3scale(vm, v3add(vm, va, vb), 0.5);
360
360
  calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
361
- if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
361
+ if (linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
362
362
  builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
363
363
  v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale);
364
364
  v3sub(vb, vb, tmpV12);
@@ -366,14 +366,14 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
366
366
  v3sub(va, va, vShift);
367
367
  v3sub(vb, vb, vShift);
368
368
  builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex);
369
- if (linkStyle === 8 /* MirroredAromatic */) {
369
+ if (linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
370
370
  v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor * 2);
371
371
  v3add(va, va, vShift);
372
372
  v3add(vb, vb, vShift);
373
373
  builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex);
374
374
  }
375
375
  }
376
- else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
376
+ else if (linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) {
377
377
  v3setMagnitude(vShift, vShift, absOffset * multipleOffsetFactor);
378
378
  builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
379
379
  v3scale(tmpV12, v3sub(tmpV12, va, vb), linkSpacing * linkScale);
@@ -390,7 +390,7 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
390
390
  builder.add(va[0] - vShift[0], va[1] - vShift[1], va[2] - vShift[2], vm[0] - vShift[0], vm[1] - vShift[1], vm[2] - vShift[2], edgeIndex);
391
391
  }
392
392
  }
393
- else if (linkStyle === 6 /* Disk */) {
393
+ else if (linkStyle === 6 /* LinkStyle.Disk */) {
394
394
  v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475);
395
395
  v3add(va, va, tmpV12);
396
396
  v3sub(vb, vb, tmpV12);
@@ -11,9 +11,9 @@ var sorted_ranges_1 = require("../../../../../mol-data/int/sorted-ranges");
11
11
  var polymer_1 = require("../polymer");
12
12
  function eachPolymerBackboneLink(unit, callback) {
13
13
  switch (unit.kind) {
14
- case 0 /* Atomic */: return eachAtomicPolymerBackboneLink(unit, callback);
15
- case 1 /* Spheres */:
16
- case 2 /* Gaussians */:
14
+ case 0 /* Unit.Kind.Atomic */: return eachAtomicPolymerBackboneLink(unit, callback);
15
+ case 1 /* Unit.Kind.Spheres */:
16
+ case 2 /* Unit.Kind.Gaussians */:
17
17
  return eachCoarsePolymerBackboneLink(unit, callback);
18
18
  }
19
19
  }
@@ -78,9 +78,9 @@ function eachCoarsePolymerBackboneLink(unit, callback) {
78
78
  }
79
79
  function eachPolymerBackboneElement(unit, callback) {
80
80
  switch (unit.kind) {
81
- case 0 /* Atomic */: return eachAtomicPolymerBackboneElement(unit, callback);
82
- case 1 /* Spheres */:
83
- case 2 /* Gaussians */:
81
+ case 0 /* Unit.Kind.Atomic */: return eachAtomicPolymerBackboneElement(unit, callback);
82
+ case 1 /* Unit.Kind.Spheres */:
83
+ case 2 /* Unit.Kind.Gaussians */:
84
84
  return eachCoarsePolymerBackboneElement(unit, callback);
85
85
  }
86
86
  }
@@ -12,9 +12,9 @@ var polymer_1 = require("../polymer");
12
12
  /** Iterates over gaps, i.e. the stem residues/coarse elements adjacent to gaps */
13
13
  function PolymerGapIterator(structure, unit) {
14
14
  switch (unit.kind) {
15
- case 0 /* Atomic */: return new AtomicPolymerGapIterator(structure, unit);
16
- case 1 /* Spheres */:
17
- case 2 /* Gaussians */:
15
+ case 0 /* Unit.Kind.Atomic */: return new AtomicPolymerGapIterator(structure, unit);
16
+ case 1 /* Unit.Kind.Spheres */:
17
+ case 2 /* Unit.Kind.Gaussians */:
18
18
  return new CoarsePolymerGapIterator(structure, unit);
19
19
  }
20
20
  }
@@ -15,10 +15,10 @@ var polymer_1 = require("../polymer");
15
15
  var secondary_structure_1 = require("../../../../../mol-model-props/computed/secondary-structure");
16
16
  var helix_orientation_1 = require("../../../../../mol-model-props/computed/helix-orientation");
17
17
  function isHelixSS(ss) {
18
- return types_1.SecondaryStructureType.is(ss, 2 /* Helix */);
18
+ return types_1.SecondaryStructureType.is(ss, 2 /* SecondaryStructureType.Flag.Helix */);
19
19
  }
20
20
  function isSheetSS(ss) {
21
- return types_1.SecondaryStructureType.is(ss, 4 /* Beta */);
21
+ return types_1.SecondaryStructureType.is(ss, 4 /* SecondaryStructureType.Flag.Beta */);
22
22
  }
23
23
  /**
24
24
  * Iterates over individual residues/coarse elements in polymers of a unit while
@@ -27,14 +27,14 @@ function isSheetSS(ss) {
27
27
  function PolymerTraceIterator(unit, structure, options) {
28
28
  if (options === void 0) { options = {}; }
29
29
  switch (unit.kind) {
30
- case 0 /* Atomic */: return new AtomicPolymerTraceIterator(unit, structure, options);
31
- case 1 /* Spheres */:
32
- case 2 /* Gaussians */:
30
+ case 0 /* Unit.Kind.Atomic */: return new AtomicPolymerTraceIterator(unit, structure, options);
31
+ case 1 /* Unit.Kind.Spheres */:
32
+ case 2 /* Unit.Kind.Gaussians */:
33
33
  return new CoarsePolymerTraceIterator(unit, structure);
34
34
  }
35
35
  }
36
36
  exports.PolymerTraceIterator = PolymerTraceIterator;
37
- var SecStrucTypeNA = types_1.SecondaryStructureType.create(536870912 /* NA */);
37
+ var SecStrucTypeNA = types_1.SecondaryStructureType.create(536870912 /* SecondaryStructureType.Flag.NA */);
38
38
  function createPolymerTraceElement(structure, unit) {
39
39
  return {
40
40
  center: structure_1.StructureElement.Location.create(structure, unit),
@@ -44,7 +44,7 @@ function createPolymerTraceElement(structure, unit) {
44
44
  initial: false, final: false,
45
45
  secStrucFirst: false, secStrucLast: false,
46
46
  secStrucType: SecStrucTypeNA,
47
- moleculeType: 0 /* Unknown */,
47
+ moleculeType: 0 /* MoleculeType.Unknown */,
48
48
  coarseBackboneFirst: false, coarseBackboneLast: false,
49
49
  isCoarseBackbone: false,
50
50
  p0: (0, linear_algebra_1.Vec3)(), p1: (0, linear_algebra_1.Vec3)(), p2: (0, linear_algebra_1.Vec3)(), p3: (0, linear_algebra_1.Vec3)(), p4: (0, linear_algebra_1.Vec3)(),
@@ -59,7 +59,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
59
59
  if (options === void 0) { options = {}; }
60
60
  var _a;
61
61
  this.unit = unit;
62
- this.state = 0 /* nextPolymer */;
62
+ this.state = 0 /* AtomicPolymerTraceIteratorState.nextPolymer */;
63
63
  this.p0 = (0, linear_algebra_1.Vec3)();
64
64
  this.p1 = (0, linear_algebra_1.Vec3)();
65
65
  this.p2 = (0, linear_algebra_1.Vec3)();
@@ -141,7 +141,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
141
141
  var _a = this.secondaryStructure, type = _a.type, getIndex = _a.getIndex;
142
142
  var ss = type[getIndex(residueIndex)];
143
143
  // normalize helix-type
144
- return isHelixSS(ss) ? 2 /* Helix */ : ss;
144
+ return isHelixSS(ss) ? 2 /* SecondaryStructureType.Flag.Helix */ : ss;
145
145
  }
146
146
  else {
147
147
  return SecStrucTypeNA;
@@ -172,13 +172,13 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
172
172
  };
173
173
  AtomicPolymerTraceIterator.prototype.move = function () {
174
174
  var _a = this, residueIt = _a.residueIt, polymerIt = _a.polymerIt, value = _a.value;
175
- if (this.state === 0 /* nextPolymer */) {
175
+ if (this.state === 0 /* AtomicPolymerTraceIteratorState.nextPolymer */) {
176
176
  while (polymerIt.hasNext) {
177
177
  this.polymerSegment = polymerIt.move();
178
178
  residueIt.setSegment(this.polymerSegment);
179
179
  this.updateResidueSegmentRange(this.polymerSegment);
180
180
  if (residueIt.hasNext) {
181
- this.state = 1 /* nextResidue */;
181
+ this.state = 1 /* AtomicPolymerTraceIteratorState.nextResidue */;
182
182
  var residueIndexBeg = this.residueAtomSegments.index[this.unit.elements[this.polymerSegment.start]];
183
183
  var residueIndexBegPrev = this.getResidueIndex(residueIndexBeg - 1);
184
184
  this.currSecStrucType = residueIndexBeg === residueIndexBegPrev ? SecStrucTypeNA : this.getSecStruc(residueIndexBegPrev);
@@ -189,7 +189,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
189
189
  }
190
190
  }
191
191
  }
192
- if (this.state === 1 /* nextResidue */) {
192
+ if (this.state === 1 /* AtomicPolymerTraceIteratorState.nextResidue */) {
193
193
  var residueIndex = residueIt.move().index;
194
194
  var residueIndexPrev3 = this.getResidueIndex(residueIndex - 3);
195
195
  var residueIndexPrev2 = this.getResidueIndex(residueIndex - 2);
@@ -352,7 +352,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
352
352
  this.setDirection(value.d12, this.d01, this.d12, this.d23);
353
353
  this.setDirection(value.d23, this.d12, this.d23, this.d34);
354
354
  if (!residueIt.hasNext) {
355
- this.state = 0 /* nextPolymer */;
355
+ this.state = 0 /* AtomicPolymerTraceIteratorState.nextPolymer */;
356
356
  }
357
357
  }
358
358
  this.hasNext = residueIt.hasNext || polymerIt.hasNext;
@@ -364,17 +364,17 @@ exports.AtomicPolymerTraceIterator = AtomicPolymerTraceIterator;
364
364
  var CoarsePolymerTraceIterator = /** @class */ (function () {
365
365
  function CoarsePolymerTraceIterator(unit, structure) {
366
366
  this.unit = unit;
367
- this.state = 0 /* nextPolymer */;
367
+ this.state = 0 /* CoarsePolymerTraceIteratorState.nextPolymer */;
368
368
  this.hasNext = false;
369
369
  this.polymerIt = sorted_ranges_1.SortedRanges.transientSegments((0, polymer_1.getPolymerRanges)(unit), unit.elements);
370
370
  this.value = createPolymerTraceElement(structure, unit);
371
371
  linear_algebra_1.Vec3.set(this.value.d12, 1, 0, 0);
372
372
  linear_algebra_1.Vec3.set(this.value.d23, 1, 0, 0);
373
373
  switch (unit.kind) {
374
- case 1 /* Spheres */:
374
+ case 1 /* Unit.Kind.Spheres */:
375
375
  this.conformation = unit.model.coarseConformation.spheres;
376
376
  break;
377
- case 2 /* Gaussians */:
377
+ case 2 /* Unit.Kind.Gaussians */:
378
378
  this.conformation = unit.model.coarseConformation.gaussians;
379
379
  break;
380
380
  }
@@ -390,17 +390,17 @@ var CoarsePolymerTraceIterator = /** @class */ (function () {
390
390
  target[2] = this.conformation.z[index];
391
391
  };
392
392
  CoarsePolymerTraceIterator.prototype.move = function () {
393
- if (this.state === 0 /* nextPolymer */) {
393
+ if (this.state === 0 /* CoarsePolymerTraceIteratorState.nextPolymer */) {
394
394
  while (this.polymerIt.hasNext) {
395
395
  this.polymerSegment = this.polymerIt.move();
396
396
  this.elementIndex = this.polymerSegment.start;
397
397
  if (this.elementIndex < this.polymerSegment.end) {
398
- this.state = 1 /* nextElement */;
398
+ this.state = 1 /* CoarsePolymerTraceIteratorState.nextElement */;
399
399
  break;
400
400
  }
401
401
  }
402
402
  }
403
- if (this.state === 1 /* nextElement */) {
403
+ if (this.state === 1 /* CoarsePolymerTraceIteratorState.nextElement */) {
404
404
  var elementIndexPrev2 = this.getElementIndex(this.elementIndex - 2);
405
405
  var elementIndexPrev1 = this.getElementIndex(this.elementIndex - 1);
406
406
  var elementIndexNext1 = this.getElementIndex(this.elementIndex + 1);
@@ -436,7 +436,7 @@ var CoarsePolymerTraceIterator = /** @class */ (function () {
436
436
  this.value.first = this.elementIndex === this.polymerSegment.start;
437
437
  this.value.last = this.elementIndex === this.polymerSegment.end - 1;
438
438
  if (this.elementIndex + 1 >= this.polymerSegment.end) {
439
- this.state = 0 /* nextPolymer */;
439
+ this.state = 0 /* CoarsePolymerTraceIteratorState.nextPolymer */;
440
440
  }
441
441
  }
442
442
  this.hasNext = this.elementIndex + 1 < this.polymerSegment.end || this.polymerIt.hasNext;
@@ -24,17 +24,17 @@ exports.NucleicShift = 0.3;
24
24
  exports.OverhangFactor = 2;
25
25
  function getPolymerRanges(unit) {
26
26
  switch (unit.kind) {
27
- case 0 /* Atomic */: return unit.model.atomicRanges.polymerRanges;
28
- case 1 /* Spheres */: return unit.model.coarseHierarchy.spheres.polymerRanges;
29
- case 2 /* Gaussians */: return unit.model.coarseHierarchy.gaussians.polymerRanges;
27
+ case 0 /* Unit.Kind.Atomic */: return unit.model.atomicRanges.polymerRanges;
28
+ case 1 /* Unit.Kind.Spheres */: return unit.model.coarseHierarchy.spheres.polymerRanges;
29
+ case 2 /* Unit.Kind.Gaussians */: return unit.model.coarseHierarchy.gaussians.polymerRanges;
30
30
  }
31
31
  }
32
32
  exports.getPolymerRanges = getPolymerRanges;
33
33
  function getGapRanges(unit) {
34
34
  switch (unit.kind) {
35
- case 0 /* Atomic */: return unit.model.atomicRanges.gapRanges;
36
- case 1 /* Spheres */: return unit.model.coarseHierarchy.spheres.gapRanges;
37
- case 2 /* Gaussians */: return unit.model.coarseHierarchy.gaussians.gapRanges;
35
+ case 0 /* Unit.Kind.Atomic */: return unit.model.atomicRanges.gapRanges;
36
+ case 1 /* Unit.Kind.Spheres */: return unit.model.coarseHierarchy.spheres.gapRanges;
37
+ case 2 /* Unit.Kind.Gaussians */: return unit.model.coarseHierarchy.gaussians.gapRanges;
38
38
  }
39
39
  }
40
40
  exports.getGapRanges = getGapRanges;
@@ -16,8 +16,8 @@ export declare namespace Types {
16
16
  const Regex: Type.Value<RegExp>;
17
17
  const Set: <T extends Type<any>>(t?: T | undefined) => Type.Container<Set<T["@type"]>>;
18
18
  const List: <T extends Type<any>>(t?: T | undefined) => Type.Container<List<T["@type"]>>;
19
- const Fn: <T extends Type<any>>(t?: T | undefined, alias?: string | undefined) => Type.Container<(env: any) => T["@type"]>;
20
- const Flags: <T extends Type<any>>(t: T, alias?: string | undefined) => Type.Container<number>;
19
+ const Fn: <T extends Type<any>>(t?: T | undefined, alias?: string) => Type.Container<(env: any) => T["@type"]>;
20
+ const Flags: <T extends Type<any>>(t: T, alias?: string) => Type.Container<number>;
21
21
  const BitFlags: Type.Container<number>;
22
22
  }
23
23
  export declare const TTargs: Arguments<Arguments.PropTypes<{
@@ -211,7 +211,7 @@ var symbols = [
211
211
  C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.elementSymbol, function (ctx, v) { return (0, types_1.ElementSymbol)(v[0](ctx)); }),
212
212
  C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.atomName, function (ctx, v) { return (0, string_1.upperCaseAny)(v[0](ctx)); }),
213
213
  C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.bondFlags, function (ctx, xs) {
214
- var ret = 0 /* None */;
214
+ var ret = 0 /* BondType.Flag.None */;
215
215
  if (typeof xs.length === 'number') {
216
216
  for (var i = 0, _i = xs.length; i < _i; i++)
217
217
  ret = bondFlag(ret, xs[i](ctx));
@@ -226,7 +226,7 @@ var symbols = [
226
226
  }),
227
227
  C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.ringFingerprint, function (ctx, xs) { return structure_1.UnitRing.elementFingerprint(getArray(ctx, xs)); }),
228
228
  C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.secondaryStructureFlags, function (ctx, xs) {
229
- var ret = 0 /* None */;
229
+ var ret = 0 /* SecondaryStructureType.Flag.None */;
230
230
  if (typeof xs.length === 'number') {
231
231
  for (var i = 0, _i = xs.length; i < _i; i++)
232
232
  ret = secondaryStructureFlag(ret, xs[i](ctx));
@@ -388,20 +388,20 @@ function atomProp(p) {
388
388
  return function (ctx, xs) { return p((xs && xs[0] && xs[0](ctx)) || ctx.element); };
389
389
  }
390
390
  function bondFlag(current, f) {
391
- return current | (types_1.BondType.isName(f) ? types_1.BondType.fromName(f) : 0 /* None */);
391
+ return current | (types_1.BondType.isName(f) ? types_1.BondType.fromName(f) : 0 /* BondType.Flag.None */);
392
392
  }
393
393
  function secondaryStructureFlag(current, f) {
394
394
  switch (f.toLowerCase()) {
395
- case 'helix': return current | 2 /* Helix */;
396
- case 'alpha': return current | 2 /* Helix */ | 4096 /* HelixAlpha */;
397
- case 'pi': return current | 2 /* Helix */ | 32768 /* HelixPi */;
398
- case '310': return current | 2 /* Helix */ | 2048 /* Helix3Ten */;
399
- case 'beta': return current | 4 /* Beta */;
400
- case 'strand': return current | 4 /* Beta */ | 4194304 /* BetaStrand */;
401
- case 'sheet': return current | 4 /* Beta */ | 8388608 /* BetaSheet */;
402
- case 'turn': return current | 16 /* Turn */;
403
- case 'bend': return current | 8 /* Bend */;
404
- case 'coil': return current | 536870912 /* NA */;
395
+ case 'helix': return current | 2 /* SecondaryStructureType.Flag.Helix */;
396
+ case 'alpha': return current | 2 /* SecondaryStructureType.Flag.Helix */ | 4096 /* SecondaryStructureType.Flag.HelixAlpha */;
397
+ case 'pi': return current | 2 /* SecondaryStructureType.Flag.Helix */ | 32768 /* SecondaryStructureType.Flag.HelixPi */;
398
+ case '310': return current | 2 /* SecondaryStructureType.Flag.Helix */ | 2048 /* SecondaryStructureType.Flag.Helix3Ten */;
399
+ case 'beta': return current | 4 /* SecondaryStructureType.Flag.Beta */;
400
+ case 'strand': return current | 4 /* SecondaryStructureType.Flag.Beta */ | 4194304 /* SecondaryStructureType.Flag.BetaStrand */;
401
+ case 'sheet': return current | 4 /* SecondaryStructureType.Flag.Beta */ | 8388608 /* SecondaryStructureType.Flag.BetaSheet */;
402
+ case 'turn': return current | 16 /* SecondaryStructureType.Flag.Turn */;
403
+ case 'bend': return current | 8 /* SecondaryStructureType.Flag.Bend */;
404
+ case 'coil': return current | 536870912 /* SecondaryStructureType.Flag.NA */;
405
405
  default: return current;
406
406
  }
407
407
  }
@@ -52,8 +52,8 @@ declare namespace StateObject {
52
52
  function create<Data, T extends Type>(type: T): {
53
53
  new (data: Data, props?: {
54
54
  label: string;
55
- description?: string | undefined;
56
- } | undefined): {
55
+ description?: string;
56
+ }): {
57
57
  id: UUID;
58
58
  type: T;
59
59
  label: string;
@@ -61,7 +61,7 @@ declare namespace StateObject {
61
61
  data: Data;
62
62
  };
63
63
  type: T;
64
- is(obj?: StateObject<any, Type<any>> | undefined): obj is {
64
+ is(obj?: StateObject): obj is {
65
65
  id: UUID;
66
66
  type: T;
67
67
  label: string;
@@ -7,7 +7,7 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.UserTiming = void 0;
9
9
  var debug_1 = require("../../mol-util/debug");
10
- var hasPerformance = (typeof performance !== 'undefined') && performance.mark && performance.measure;
10
+ var hasPerformance = (typeof performance !== 'undefined') && !!performance.mark && performance.measure;
11
11
  var timingEnabled = hasPerformance && !debug_1.isProductionMode;
12
12
  var UserTiming;
13
13
  (function (UserTiming) {
@@ -24,12 +24,12 @@ exports.Clipping = Clipping;
24
24
  }
25
25
  Groups.create = create;
26
26
  Groups.Names = {
27
- 'one': 1 /* One */,
28
- 'two': 2 /* Two */,
29
- 'three': 4 /* Three */,
30
- 'four': 8 /* Four */,
31
- 'five': 16 /* Five */,
32
- 'six': 32 /* Six */,
27
+ 'one': 1 /* Flag.One */,
28
+ 'two': 2 /* Flag.Two */,
29
+ 'three': 4 /* Flag.Three */,
30
+ 'four': 8 /* Flag.Four */,
31
+ 'five': 16 /* Flag.Five */,
32
+ 'six': 32 /* Flag.Six */,
33
33
  };
34
34
  function isName(name) {
35
35
  return name in Groups.Names;
@@ -37,17 +37,17 @@ exports.Clipping = Clipping;
37
37
  Groups.isName = isName;
38
38
  function fromName(name) {
39
39
  switch (name) {
40
- case 'one': return 1 /* One */;
41
- case 'two': return 2 /* Two */;
42
- case 'three': return 4 /* Three */;
43
- case 'four': return 8 /* Four */;
44
- case 'five': return 16 /* Five */;
45
- case 'six': return 32 /* Six */;
40
+ case 'one': return 1 /* Flag.One */;
41
+ case 'two': return 2 /* Flag.Two */;
42
+ case 'three': return 4 /* Flag.Three */;
43
+ case 'four': return 8 /* Flag.Four */;
44
+ case 'five': return 16 /* Flag.Five */;
45
+ case 'six': return 32 /* Flag.Six */;
46
46
  }
47
47
  }
48
48
  Groups.fromName = fromName;
49
49
  function fromNames(names) {
50
- var f = 0 /* None */;
50
+ var f = 0 /* Flag.None */;
51
51
  for (var i = 0, il = names.length; i < il; ++i) {
52
52
  f |= fromName(names[i]);
53
53
  }
@@ -56,17 +56,17 @@ exports.Clipping = Clipping;
56
56
  Groups.fromNames = fromNames;
57
57
  function toNames(groups) {
58
58
  var names = [];
59
- if (Groups.is(groups, 1 /* One */))
59
+ if (Groups.is(groups, 1 /* Flag.One */))
60
60
  names.push('one');
61
- if (Groups.is(groups, 2 /* Two */))
61
+ if (Groups.is(groups, 2 /* Flag.Two */))
62
62
  names.push('two');
63
- if (Groups.is(groups, 4 /* Three */))
63
+ if (Groups.is(groups, 4 /* Flag.Three */))
64
64
  names.push('three');
65
- if (Groups.is(groups, 8 /* Four */))
65
+ if (Groups.is(groups, 8 /* Flag.Four */))
66
66
  names.push('four');
67
- if (Groups.is(groups, 16 /* Five */))
67
+ if (Groups.is(groups, 16 /* Flag.Five */))
68
68
  names.push('five');
69
- if (Groups.is(groups, 32 /* Six */))
69
+ if (Groups.is(groups, 32 /* Flag.Six */))
70
70
  names.push('six');
71
71
  return names;
72
72
  }
@@ -75,7 +75,7 @@ exports.AtomIdColorTheme = AtomIdColorTheme;
75
75
  exports.AtomIdColorThemeProvider = {
76
76
  name: 'atom-id',
77
77
  label: 'Atom Id',
78
- category: "Atom Property" /* Atom */,
78
+ category: "Atom Property" /* ColorTheme.Category.Atom */,
79
79
  factory: AtomIdColorTheme,
80
80
  getParams: getAtomIdColorThemeParams,
81
81
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.AtomIdColorThemeParams),
@@ -59,7 +59,7 @@ exports.CarbohydrateSymbolColorTheme = CarbohydrateSymbolColorTheme;
59
59
  exports.CarbohydrateSymbolColorThemeProvider = {
60
60
  name: 'carbohydrate-symbol',
61
61
  label: 'Carbohydrate Symbol',
62
- category: "Residue Property" /* Residue */,
62
+ category: "Residue Property" /* ColorTheme.Category.Residue */,
63
63
  factory: CarbohydrateSymbolColorTheme,
64
64
  getParams: getCarbohydrateSymbolColorThemeParams,
65
65
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateSymbolColorThemeParams),
@@ -26,12 +26,12 @@ function getChainIdColorThemeParams(ctx) {
26
26
  exports.getChainIdColorThemeParams = getChainIdColorThemeParams;
27
27
  function getAsymId(unit, type) {
28
28
  switch (unit.kind) {
29
- case 0 /* Atomic */:
29
+ case 0 /* Unit.Kind.Atomic */:
30
30
  return type === 'auth'
31
31
  ? structure_1.StructureProperties.chain.auth_asym_id
32
32
  : structure_1.StructureProperties.chain.label_asym_id;
33
- case 1 /* Spheres */:
34
- case 2 /* Gaussians */:
33
+ case 1 /* Unit.Kind.Spheres */:
34
+ case 2 /* Unit.Kind.Gaussians */:
35
35
  return structure_1.StructureProperties.coarse.asym_id;
36
36
  }
37
37
  }
@@ -109,7 +109,7 @@ exports.ChainIdColorTheme = ChainIdColorTheme;
109
109
  exports.ChainIdColorThemeProvider = {
110
110
  name: 'chain-id',
111
111
  label: 'Chain Id',
112
- category: "Chain Property" /* Chain */,
112
+ category: "Chain Property" /* ColorTheme.Category.Chain */,
113
113
  factory: ChainIdColorTheme,
114
114
  getParams: getChainIdColorThemeParams,
115
115
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ChainIdColorThemeParams),
@@ -66,7 +66,7 @@ exports.ElementIndexColorTheme = ElementIndexColorTheme;
66
66
  exports.ElementIndexColorThemeProvider = {
67
67
  name: 'element-index',
68
68
  label: 'Element Index',
69
- category: "Atom Property" /* Atom */,
69
+ category: "Atom Property" /* ColorTheme.Category.Atom */,
70
70
  factory: ElementIndexColorTheme,
71
71
  getParams: getElementIndexColorThemeParams,
72
72
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ElementIndexColorThemeParams),
@@ -94,7 +94,7 @@ exports.ElementSymbolColorTheme = ElementSymbolColorTheme;
94
94
  exports.ElementSymbolColorThemeProvider = {
95
95
  name: 'element-symbol',
96
96
  label: 'Element Symbol',
97
- category: "Atom Property" /* Atom */,
97
+ category: "Atom Property" /* ColorTheme.Category.Atom */,
98
98
  factory: ElementSymbolColorTheme,
99
99
  getParams: getElementSymbolColorThemeParams,
100
100
  defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ElementSymbolColorThemeParams),