molstar 3.8.2 → 3.10.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (596) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -202
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +109 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/viewer/app.d.ts +5 -2
  8. package/lib/apps/viewer/app.js +11 -7
  9. package/lib/apps/viewer/embedded.html +43 -43
  10. package/lib/apps/viewer/index.html +109 -106
  11. package/lib/cli/cif2bcif/converter.js +1 -1
  12. package/lib/commonjs/apps/viewer/app.d.ts +5 -2
  13. package/lib/commonjs/apps/viewer/app.js +12 -7
  14. package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
  15. package/lib/commonjs/examples/alpha-orbitals/index.d.ts +1 -1
  16. package/lib/commonjs/examples/alpha-orbitals/index.js +4 -1
  17. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +1 -1
  18. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +3 -3
  19. package/lib/commonjs/extensions/alpha-orbitals/density.d.ts +1 -1
  20. package/lib/commonjs/extensions/alpha-orbitals/density.js +6 -2
  21. package/lib/commonjs/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  22. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +6 -3
  23. package/lib/commonjs/extensions/anvil/algorithm.js +1 -1
  24. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  25. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  26. package/lib/commonjs/extensions/cellpack/state.js +1 -1
  27. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +1 -1
  28. package/lib/commonjs/extensions/g3d/model.js +1 -1
  29. package/lib/commonjs/extensions/geo-export/ui.js +1 -0
  30. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
  31. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
  32. package/lib/commonjs/extensions/mp4-export/ui.js +1 -0
  33. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +1 -1
  34. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +4 -4
  35. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +1 -1
  36. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
  37. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
  38. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  39. package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
  40. package/lib/commonjs/mol-canvas3d/controls/trackball.js +7 -7
  41. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +14 -14
  42. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +5 -5
  43. package/lib/commonjs/mol-canvas3d/passes/draw.js +34 -5
  44. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +5 -0
  45. package/lib/commonjs/mol-canvas3d/passes/marking.js +5 -0
  46. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +9 -0
  47. package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +18 -5
  48. package/lib/commonjs/mol-canvas3d/passes/pick.js +125 -24
  49. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +5 -0
  50. package/lib/commonjs/mol-canvas3d/passes/smaa.js +4 -0
  51. package/lib/commonjs/mol-canvas3d/passes/wboit.js +4 -0
  52. package/lib/commonjs/mol-data/db/column.js +5 -5
  53. package/lib/commonjs/mol-data/db/table.js +2 -2
  54. package/lib/commonjs/mol-data/util/array.d.ts +1 -1
  55. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
  56. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  57. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  58. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
  59. package/lib/commonjs/mol-gl/compute/grid3d.d.ts +2 -2
  60. package/lib/commonjs/mol-gl/compute/grid3d.js +30 -8
  61. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
  62. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
  63. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
  64. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +6 -1
  65. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
  66. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
  67. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
  68. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -10
  69. package/lib/commonjs/mol-gl/renderer.js +77 -32
  70. package/lib/commonjs/mol-gl/scene.js +2 -0
  71. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  72. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  73. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  74. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  75. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  76. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  77. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  78. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  79. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  80. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  81. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  82. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  83. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  84. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  85. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +1 -1
  86. package/lib/commonjs/mol-gl/shader/lines.frag.js +1 -1
  87. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  88. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  89. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +1 -1
  90. package/lib/commonjs/mol-gl/shader/points.frag.js +1 -1
  91. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  92. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  93. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +1 -1
  94. package/lib/commonjs/mol-gl/shader/text.frag.js +1 -1
  95. package/lib/commonjs/mol-gl/shader-code.d.ts +1 -1
  96. package/lib/commonjs/mol-gl/shader-code.js +41 -9
  97. package/lib/commonjs/mol-gl/webgl/compat.d.ts +34 -1
  98. package/lib/commonjs/mol-gl/webgl/compat.js +50 -2
  99. package/lib/commonjs/mol-gl/webgl/context.d.ts +2 -0
  100. package/lib/commonjs/mol-gl/webgl/context.js +3 -0
  101. package/lib/commonjs/mol-gl/webgl/extensions.d.ts +3 -2
  102. package/lib/commonjs/mol-gl/webgl/extensions.js +6 -1
  103. package/lib/commonjs/mol-gl/webgl/timer.d.ts +22 -0
  104. package/lib/commonjs/mol-gl/webgl/timer.js +169 -0
  105. package/lib/commonjs/mol-io/common/binary-cif/array-encoder.js +18 -18
  106. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +16 -16
  107. package/lib/commonjs/mol-io/common/binary-cif/encoding.js +9 -9
  108. package/lib/commonjs/mol-io/reader/cif/binary/field.js +3 -3
  109. package/lib/commonjs/mol-io/reader/cif/data-model.js +14 -14
  110. package/lib/commonjs/mol-io/reader/cif/schema.js +1 -1
  111. package/lib/commonjs/mol-io/reader/cif/text/parser.js +23 -23
  112. package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +1 -1
  113. package/lib/commonjs/mol-io/reader/common/text/column/token.js +1 -1
  114. package/lib/commonjs/mol-io/reader/common/text/number-parser.js +6 -6
  115. package/lib/commonjs/mol-io/reader/csv/parser.js +8 -8
  116. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +10 -10
  117. package/lib/commonjs/mol-io/writer/cif/encoder/text.js +7 -7
  118. package/lib/commonjs/mol-io/writer/cif/encoder.js +8 -8
  119. package/lib/commonjs/mol-io/writer/mol2/encoder.js +4 -4
  120. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +13 -2
  121. package/lib/commonjs/mol-model/sequence/alignment/sequence.js +3 -3
  122. package/lib/commonjs/mol-model/sequence/sequence.js +9 -9
  123. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
  124. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  125. package/lib/commonjs/mol-model/structure/export/categories/utils.js +1 -1
  126. package/lib/commonjs/mol-model/structure/model/model.js +2 -2
  127. package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js +6 -6
  128. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
  129. package/lib/commonjs/mol-model/structure/model/types.js +116 -116
  130. package/lib/commonjs/mol-model/structure/query/context.js +1 -1
  131. package/lib/commonjs/mol-model/structure/query/queries/generators.js +5 -5
  132. package/lib/commonjs/mol-model/structure/query/queries/internal.js +4 -4
  133. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +4 -4
  134. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  135. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +9 -9
  136. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +3 -1
  137. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +192 -108
  138. package/lib/commonjs/mol-model/structure/structure/element/loci.js +5 -5
  139. package/lib/commonjs/mol-model/structure/structure/element/stats.js +5 -5
  140. package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
  141. package/lib/commonjs/mol-model/structure/structure/structure.js +11 -11
  142. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
  143. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
  144. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +2 -2
  145. package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +1 -1
  146. package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +6 -6
  147. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +6 -6
  148. package/lib/commonjs/mol-model/structure/structure/unit.js +16 -16
  149. package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
  150. package/lib/commonjs/mol-model/structure/util.js +4 -4
  151. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -2
  152. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +4 -4
  153. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +1 -1
  154. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +1 -1
  155. package/lib/commonjs/mol-model-formats/structure/basic/util.js +1 -1
  156. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  157. package/lib/commonjs/mol-model-formats/structure/common/entity.js +1 -1
  158. package/lib/commonjs/mol-model-formats/structure/cube.js +1 -1
  159. package/lib/commonjs/mol-model-formats/structure/gro.js +1 -1
  160. package/lib/commonjs/mol-model-formats/structure/mol.js +1 -1
  161. package/lib/commonjs/mol-model-formats/structure/mol2.js +4 -4
  162. package/lib/commonjs/mol-model-formats/structure/prmtop.js +1 -1
  163. package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
  164. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  165. package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
  166. package/lib/commonjs/mol-model-formats/structure/property/secondary-structure.js +8 -8
  167. package/lib/commonjs/mol-model-formats/structure/psf.js +1 -1
  168. package/lib/commonjs/mol-model-formats/structure/top.js +1 -1
  169. package/lib/commonjs/mol-model-formats/structure/xyz.js +1 -1
  170. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
  171. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
  172. package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +2 -2
  173. package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +31 -31
  174. package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +22 -22
  175. package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +32 -32
  176. package/lib/commonjs/mol-model-props/computed/interactions/charged.js +39 -39
  177. package/lib/commonjs/mol-model-props/computed/interactions/common.js +34 -34
  178. package/lib/commonjs/mol-model-props/computed/interactions/contacts-builder.js +1 -1
  179. package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
  180. package/lib/commonjs/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
  181. package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
  182. package/lib/commonjs/mol-model-props/computed/interactions/hydrophobic.js +9 -9
  183. package/lib/commonjs/mol-model-props/computed/interactions/metal.js +26 -26
  184. package/lib/commonjs/mol-model-props/computed/interactions/refine.js +20 -20
  185. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  186. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  187. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
  188. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
  189. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
  190. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
  191. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
  192. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
  193. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +30 -30
  194. package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
  195. package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +10 -10
  196. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
  197. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
  198. package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +1 -1
  199. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
  200. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -1
  201. package/lib/commonjs/mol-plugin/animation-loop.js +18 -5
  202. package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +12 -12
  203. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +7 -7
  204. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  205. package/lib/commonjs/mol-plugin/config.d.ts +3 -0
  206. package/lib/commonjs/mol-plugin/config.js +3 -1
  207. package/lib/commonjs/mol-plugin/context.d.ts +2 -2
  208. package/lib/commonjs/mol-plugin/context.js +3 -0
  209. package/lib/commonjs/mol-plugin/state.d.ts +1 -14
  210. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +12 -11
  211. package/lib/commonjs/mol-plugin-state/formats/volume.js +20 -13
  212. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +5 -5
  213. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  214. package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +1 -1
  215. package/lib/commonjs/mol-plugin-ui/controls.js +1 -1
  216. package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
  217. package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +1 -1
  218. package/lib/commonjs/mol-plugin-ui/state/snapshots.js +1 -0
  219. package/lib/commonjs/mol-plugin-ui/structure/focus.js +1 -1
  220. package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +1 -0
  221. package/lib/commonjs/mol-plugin-ui/viewport.d.ts +2 -2
  222. package/lib/commonjs/mol-repr/shape/representation.d.ts +1 -1
  223. package/lib/commonjs/mol-repr/shape/representation.js +2 -1
  224. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +1 -1
  225. package/lib/commonjs/mol-repr/structure/complex-visual.js +2 -1
  226. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +1 -1
  227. package/lib/commonjs/mol-repr/structure/units-visual.js +2 -1
  228. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
  229. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
  230. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -15
  231. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +12 -15
  232. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
  233. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
  234. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
  235. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
  236. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  237. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  238. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
  239. package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -3
  240. package/lib/commonjs/mol-repr/structure/visual/util/link.js +30 -30
  241. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
  242. package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
  243. package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
  244. package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +6 -6
  245. package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
  246. package/lib/commonjs/mol-repr/volume/representation.js +2 -1
  247. package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
  248. package/lib/commonjs/mol-script/language/symbol-table/core.d.ts +2 -2
  249. package/lib/commonjs/mol-script/runtime/query/table.js +13 -13
  250. package/lib/commonjs/mol-state/object.d.ts +3 -3
  251. package/lib/commonjs/mol-task/util/user-timing.js +1 -1
  252. package/lib/commonjs/mol-theme/clipping.js +19 -19
  253. package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
  254. package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +1 -1
  255. package/lib/commonjs/mol-theme/color/chain-id.js +4 -4
  256. package/lib/commonjs/mol-theme/color/element-index.js +1 -1
  257. package/lib/commonjs/mol-theme/color/element-symbol.js +1 -1
  258. package/lib/commonjs/mol-theme/color/entity-id.js +4 -4
  259. package/lib/commonjs/mol-theme/color/entity-source.js +5 -4
  260. package/lib/commonjs/mol-theme/color/hydrophobicity.js +1 -1
  261. package/lib/commonjs/mol-theme/color/illustrative.js +1 -1
  262. package/lib/commonjs/mol-theme/color/model-index.js +1 -1
  263. package/lib/commonjs/mol-theme/color/molecule-type.js +8 -8
  264. package/lib/commonjs/mol-theme/color/occupancy.js +1 -1
  265. package/lib/commonjs/mol-theme/color/operator-hkl.js +1 -1
  266. package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
  267. package/lib/commonjs/mol-theme/color/partial-charge.js +1 -1
  268. package/lib/commonjs/mol-theme/color/polymer-id.js +4 -4
  269. package/lib/commonjs/mol-theme/color/polymer-index.js +1 -1
  270. package/lib/commonjs/mol-theme/color/residue-name.js +1 -1
  271. package/lib/commonjs/mol-theme/color/secondary-structure.js +12 -12
  272. package/lib/commonjs/mol-theme/color/sequence-id.js +7 -7
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  574. package/lib/mol-theme/color/partial-charge.js +1 -1
  575. package/lib/mol-theme/color/polymer-id.js +4 -4
  576. package/lib/mol-theme/color/polymer-index.js +1 -1
  577. package/lib/mol-theme/color/residue-name.js +1 -1
  578. package/lib/mol-theme/color/secondary-structure.js +12 -12
  579. package/lib/mol-theme/color/sequence-id.js +7 -7
  580. package/lib/mol-theme/color/shape-group.js +1 -1
  581. package/lib/mol-theme/color/uncertainty.js +1 -1
  582. package/lib/mol-theme/color/uniform.js +1 -1
  583. package/lib/mol-theme/color/unit-index.js +1 -1
  584. package/lib/mol-theme/color/volume-value.js +1 -1
  585. package/lib/mol-theme/label.js +3 -3
  586. package/lib/mol-util/binding.js +4 -4
  587. package/lib/mol-util/debug.d.ts +6 -1
  588. package/lib/mol-util/debug.js +9 -1
  589. package/lib/mol-util/input/input-observer.js +20 -20
  590. package/lib/mol-util/string-builder.js +1 -1
  591. package/lib/servers/model/preprocess/converter.js +1 -1
  592. package/lib/servers/model/server/query.js +1 -1
  593. package/lib/servers/model/utils/fetch-retry.js +3 -2
  594. package/lib/servers/volume/server/algebra/coordinate.js +6 -6
  595. package/lib/servers/volume/server/query/encode.js +1 -1
  596. package/package.json +162 -162
@@ -39,7 +39,7 @@ export function FixedColumn(lines, offset, width, schema) {
39
39
  isDefined: true,
40
40
  rowCount: rowCount,
41
41
  value: value,
42
- valueKind: function (row) { return 0 /* Present */; },
42
+ valueKind: function (row) { return 0 /* Column.ValueKind.Present */; },
43
43
  toArray: function (params) { return ColumnHelpers.createAndFillArray(rowCount, value, params); },
44
44
  areValuesEqual: function (rowA, rowB) { return value(rowA) === value(rowB); }
45
45
  };
@@ -25,7 +25,7 @@ export function TokenColumn(tokens, schema) {
25
25
  isDefined: true,
26
26
  rowCount: rowCount,
27
27
  value: value,
28
- valueKind: function (row) { return 0 /* Present */; },
28
+ valueKind: function (row) { return 0 /* Column.ValueKind.Present */; },
29
29
  toArray: function (params) { return ColumnHelpers.createAndFillArray(rowCount, value, params); },
30
30
  areValuesEqual: areValuesEqualProvider(tokens)
31
31
  };
@@ -104,7 +104,7 @@ function getNumberTypeScientific(str, start, end) {
104
104
  // handle + in '1e+1' separately.
105
105
  if (str.charCodeAt(start) === 43 /* + */)
106
106
  start++;
107
- return isInt(str, start, end) ? 2 /* Scientific */ : 3 /* NaN */;
107
+ return isInt(str, start, end) ? 2 /* NumberType.Scientific */ : 3 /* NumberType.NaN */;
108
108
  }
109
109
  /** The whole range must match, otherwise returns NaN */
110
110
  export function getNumberType(str) {
@@ -115,7 +115,7 @@ export function getNumberType(str) {
115
115
  }
116
116
  // string is . or -.
117
117
  if (str.charCodeAt(start) === 46 && end - start === 1) {
118
- return 3 /* NaN */;
118
+ return 3 /* NumberType.NaN */;
119
119
  }
120
120
  while (start < end) {
121
121
  var c = str.charCodeAt(start) - 48;
@@ -135,14 +135,14 @@ export function getNumberType(str) {
135
135
  return getNumberTypeScientific(str, start + 1, end);
136
136
  }
137
137
  else {
138
- return 3 /* NaN */;
138
+ return 3 /* NumberType.NaN */;
139
139
  }
140
140
  }
141
- return hasDigit ? 1 /* Float */ : 0 /* Int */;
141
+ return hasDigit ? 1 /* NumberType.Float */ : 0 /* NumberType.Int */;
142
142
  }
143
143
  else if (c === 53 || c === 21) { // 'e'/'E'
144
144
  if (start === 0 || start === 1 && str.charCodeAt(0) === 45) {
145
- return 3 /* NaN */; // string starts with e/E or -e/-E
145
+ return 3 /* NumberType.NaN */; // string starts with e/E or -e/-E
146
146
  }
147
147
  return getNumberTypeScientific(str, start + 1, end);
148
148
  }
@@ -150,5 +150,5 @@ export function getNumberType(str) {
150
150
  break;
151
151
  }
152
152
  }
153
- return start === end ? 0 /* Int */ : 3 /* NaN */;
153
+ return start === end ? 0 /* NumberType.Int */ : 3 /* NumberType.NaN */;
154
154
  }
@@ -15,7 +15,7 @@ function State(data, runtimeCtx, opts) {
15
15
  return {
16
16
  data: data,
17
17
  tokenizer: tokenizer,
18
- tokenType: 2 /* End */,
18
+ tokenType: 2 /* CsvTokenType.End */,
19
19
  runtimeCtx: runtimeCtx,
20
20
  tokens: [],
21
21
  fieldCount: 0,
@@ -134,7 +134,7 @@ function moveNextInternal(state) {
134
134
  var tokenizer = state.tokenizer;
135
135
  skipWhitespace(tokenizer);
136
136
  if (tokenizer.position >= tokenizer.length) {
137
- state.tokenType = 2 /* End */;
137
+ state.tokenType = 2 /* CsvTokenType.End */;
138
138
  return false;
139
139
  }
140
140
  tokenizer.tokenStart = tokenizer.position;
@@ -142,14 +142,14 @@ function moveNextInternal(state) {
142
142
  var c = state.data.charCodeAt(tokenizer.position);
143
143
  switch (c) {
144
144
  case state.commentCharCode:
145
- state.tokenType = 1 /* Comment */;
145
+ state.tokenType = 1 /* CsvTokenType.Comment */;
146
146
  skipLine(tokenizer);
147
147
  break;
148
148
  case state.quoteCharCode:
149
- state.tokenType = 0 /* Value */;
149
+ state.tokenType = 0 /* CsvTokenType.Value */;
150
150
  return eatQuoted(tokenizer, state.quoteCharCode, state.delimiterCharCode);
151
151
  default:
152
- state.tokenType = 0 /* Value */;
152
+ state.tokenType = 0 /* CsvTokenType.Value */;
153
153
  return eatValue(tokenizer, state.delimiterCharCode);
154
154
  }
155
155
  }
@@ -159,18 +159,18 @@ function moveNextInternal(state) {
159
159
  */
160
160
  function moveNext(state) {
161
161
  var newRecord = moveNextInternal(state);
162
- while (state.tokenType === 1 /* Comment */) {
162
+ while (state.tokenType === 1 /* CsvTokenType.Comment */) {
163
163
  newRecord = moveNextInternal(state);
164
164
  }
165
165
  return newRecord;
166
166
  }
167
167
  function readRecordsChunk(chunkSize, state) {
168
- if (state.tokenType === 2 /* End */)
168
+ if (state.tokenType === 2 /* CsvTokenType.End */)
169
169
  return 0;
170
170
  var counter = 0;
171
171
  var newRecord;
172
172
  var tokens = state.tokens, tokenizer = state.tokenizer;
173
- while (state.tokenType === 0 /* Value */ && counter < chunkSize) {
173
+ while (state.tokenType === 0 /* CsvTokenType.Value */ && counter < chunkSize) {
174
174
  TokenBuilder.add(tokens[state.fieldCount % state.columnCount], tokenizer.tokenStart, tokenizer.tokenEnd);
175
175
  ++state.fieldCount;
176
176
  newRecord = moveNext(state);
@@ -91,14 +91,14 @@ function getArrayCtor(field, format) {
91
91
  return format.typedArray;
92
92
  if (field.defaultFormat && field.defaultFormat.typedArray)
93
93
  return field.defaultFormat.typedArray;
94
- if (field.type === 0 /* Str */)
94
+ if (field.type === 0 /* Field.Type.Str */)
95
95
  return Array;
96
- if (field.type === 1 /* Int */)
96
+ if (field.type === 1 /* Field.Type.Int */)
97
97
  return Int32Array;
98
98
  return Float64Array;
99
99
  }
100
100
  function getDefaultEncoder(type) {
101
- if (type === 0 /* Str */)
101
+ if (type === 0 /* Field.Type.Str */)
102
102
  return ArrayEncoder.by(E.stringArray);
103
103
  return ArrayEncoder.by(E.byteArray);
104
104
  }
@@ -117,9 +117,9 @@ function tryGetEncoder(categoryName, field, format, provider) {
117
117
  }
118
118
  }
119
119
  function classify(type, data) {
120
- if (type === 0 /* Str */)
120
+ if (type === 0 /* Field.Type.Str */)
121
121
  return ArrayEncoder.by(E.stringArray);
122
- if (type === 1 /* Int */)
122
+ if (type === 1 /* Field.Type.Int */)
123
123
  return classifyIntArray(data);
124
124
  return classifyFloatArray(data);
125
125
  }
@@ -150,7 +150,7 @@ function encodeField(categoryName, field, data, totalCount, format, encoderProvi
150
150
  };
151
151
  }
152
152
  function getFieldData(field, arrayCtor, totalCount, data) {
153
- var isStr = field.type === 0 /* Str */;
153
+ var isStr = field.type === 0 /* Field.Type.Str */;
154
154
  var array = new arrayCtor(totalCount);
155
155
  var mask = new Uint8Array(totalCount);
156
156
  var valueKind = field.valueKind;
@@ -162,8 +162,8 @@ function getFieldData(field, arrayCtor, totalCount, data) {
162
162
  var keys = data[_d].keys();
163
163
  while (keys.hasNext) {
164
164
  var key = keys.move();
165
- var p = valueKind ? valueKind(key, d) : 0 /* Present */;
166
- if (p !== 0 /* Present */) {
165
+ var p = valueKind ? valueKind(key, d) : 0 /* Column.ValueKind.Present */;
166
+ if (p !== 0 /* Column.ValueKind.Present */) {
167
167
  mask[offset] = p;
168
168
  if (isStr)
169
169
  array[offset] = '';
@@ -172,11 +172,11 @@ function getFieldData(field, arrayCtor, totalCount, data) {
172
172
  else {
173
173
  var value = getter(key, d, offset);
174
174
  if (typeof value === 'string' && !value) {
175
- mask[offset] = 1 /* NotPresent */;
175
+ mask[offset] = 1 /* Column.ValueKind.NotPresent */;
176
176
  allPresent = false;
177
177
  }
178
178
  else {
179
- mask[offset] = 0 /* Present */;
179
+ mask[offset] = 0 /* Column.ValueKind.Present */;
180
180
  }
181
181
  array[offset] = value;
182
182
  }
@@ -70,9 +70,9 @@ var TextEncoder = /** @class */ (function () {
70
70
  export { TextEncoder };
71
71
  function writeValue(builder, data, key, f, floatPrecision, index) {
72
72
  var kind = f.valueKind;
73
- var p = kind ? kind(key, data) : 0 /* Present */;
74
- if (p !== 0 /* Present */) {
75
- if (p === 1 /* NotPresent */)
73
+ var p = kind ? kind(key, data) : 0 /* Column.ValueKind.Present */;
74
+ if (p !== 0 /* Column.ValueKind.Present */) {
75
+ if (p === 1 /* Column.ValueKind.NotPresent */)
76
76
  writeNotPresent(builder);
77
77
  else
78
78
  writeUnknown(builder);
@@ -80,7 +80,7 @@ function writeValue(builder, data, key, f, floatPrecision, index) {
80
80
  else {
81
81
  var val = f.value(key, data, index);
82
82
  var t = f.type;
83
- if (t === 0 /* Str */) {
83
+ if (t === 0 /* Field.Type.Str */) {
84
84
  if (isMultiline(val)) {
85
85
  writeMultiline(builder, val);
86
86
  return true;
@@ -89,7 +89,7 @@ function writeValue(builder, data, key, f, floatPrecision, index) {
89
89
  return writeChecked(builder, val);
90
90
  }
91
91
  }
92
- else if (t === 1 /* Int */) {
92
+ else if (t === 1 /* Field.Type.Int */) {
93
93
  writeInteger(builder, val);
94
94
  }
95
95
  else {
@@ -104,9 +104,9 @@ function getFloatPrecisions(categoryName, fields, formatter) {
104
104
  var f = fields_1[_a];
105
105
  var format = formatter.getFormat(categoryName, f.name);
106
106
  if (format && typeof format.digitCount !== 'undefined')
107
- ret[ret.length] = f.type === 2 /* Float */ ? Math.pow(10, Math.max(0, Math.min(format.digitCount, 15))) : 0;
107
+ ret[ret.length] = f.type === 2 /* Field.Type.Float */ ? Math.pow(10, Math.max(0, Math.min(format.digitCount, 15))) : 0;
108
108
  else
109
- ret[ret.length] = f.type === 2 /* Float */ ? Math.pow(10, getFieldDigitCount(f)) : 0;
109
+ ret[ret.length] = f.type === 2 /* Field.Type.Float */ ? Math.pow(10, getFieldDigitCount(f)) : 0;
110
110
  }
111
111
  return ret;
112
112
  }
@@ -11,13 +11,13 @@ import { assertUnreachable } from '../../../mol-util/type-helpers';
11
11
  export var Field;
12
12
  (function (Field) {
13
13
  function str(name, value, params) {
14
- return { name: name, type: 0 /* Str */, value: value, valueKind: params && params.valueKind, defaultFormat: params && params.encoder ? { encoder: params.encoder } : void 0, shouldInclude: params && params.shouldInclude };
14
+ return { name: name, type: 0 /* Type.Str */, value: value, valueKind: params && params.valueKind, defaultFormat: params && params.encoder ? { encoder: params.encoder } : void 0, shouldInclude: params && params.shouldInclude };
15
15
  }
16
16
  Field.str = str;
17
17
  function int(name, value, params) {
18
18
  return {
19
19
  name: name,
20
- type: 1 /* Int */,
20
+ type: 1 /* Type.Int */,
21
21
  value: value,
22
22
  valueKind: params && params.valueKind,
23
23
  defaultFormat: params ? { encoder: params.encoder, typedArray: params.typedArray } : void 0,
@@ -28,7 +28,7 @@ export var Field;
28
28
  function float(name, value, params) {
29
29
  return {
30
30
  name: name,
31
- type: 2 /* Float */,
31
+ type: 2 /* Type.Float */,
32
32
  value: value,
33
33
  valueKind: params && params.valueKind,
34
34
  defaultFormat: params ? { encoder: params.encoder, typedArray: params.typedArray, digitCount: typeof params.digitCount !== 'undefined' ? params.digitCount : void 0 } : void 0,
@@ -205,7 +205,7 @@ function columnValueKind(k) {
205
205
  }
206
206
  function getTensorDefinitions(field, space) {
207
207
  var fieldDefinitions = [];
208
- var type = 2 /* Float */;
208
+ var type = 2 /* Field.Type.Float */;
209
209
  var valueKind = columnValueKind(field);
210
210
  if (space.rank === 1) {
211
211
  var rows = space.dimensions[0];
@@ -245,16 +245,16 @@ function cifFieldsFromTableSchema(schema) {
245
245
  var k = _a[_i];
246
246
  var t = schema[k];
247
247
  if (t.valueType === 'int') {
248
- fields.push({ name: k, type: 1 /* Int */, value: columnValue(k), valueKind: columnValueKind(k) });
248
+ fields.push({ name: k, type: 1 /* Field.Type.Int */, value: columnValue(k), valueKind: columnValueKind(k) });
249
249
  }
250
250
  else if (t.valueType === 'float') {
251
- fields.push({ name: k, type: 2 /* Float */, value: columnValue(k), valueKind: columnValueKind(k) });
251
+ fields.push({ name: k, type: 2 /* Field.Type.Float */, value: columnValue(k), valueKind: columnValueKind(k) });
252
252
  }
253
253
  else if (t.valueType === 'str') {
254
- fields.push({ name: k, type: 0 /* Str */, value: columnValue(k), valueKind: columnValueKind(k) });
254
+ fields.push({ name: k, type: 0 /* Field.Type.Str */, value: columnValue(k), valueKind: columnValueKind(k) });
255
255
  }
256
256
  else if (t.valueType === 'list') {
257
- fields.push({ name: k, type: 0 /* Str */, value: columnListValue(k), valueKind: columnValueKind(k) });
257
+ fields.push({ name: k, type: 0 /* Field.Type.Str */, value: columnListValue(k), valueKind: columnValueKind(k) });
258
258
  }
259
259
  else if (t.valueType === 'tensor') {
260
260
  fields.push.apply(fields, getTensorDefinitions(k, t.space));
@@ -55,7 +55,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
55
55
  var i2 = atom2.index;
56
56
  if (i1 < i2) {
57
57
  var order = bond.order, flags = bond.flags;
58
- var ar = BondType.is(16 /* Aromatic */, flags);
58
+ var ar = BondType.is(16 /* BondType.Flag.Aromatic */, flags);
59
59
  StringBuilder.writeSafe(b, "".concat(++bondCount, " ").concat(i1 + 1, " ").concat(i2 + 1, " ").concat(ar ? 'ar' : order));
60
60
  StringBuilder.newline(b);
61
61
  }
@@ -134,7 +134,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
134
134
  return 'C.3'; // 1.6.1, 3rga/ligand?encoding=mol2&auth_seq_id=307 (MOH)
135
135
  if (numBonds === 3 && this.isCat(bonds, bondMap))
136
136
  return 'C.cat'; // 1.6.2, 1acj/ligand?encoding=mol2&auth_seq_id=44 (ARG), 5vjb/ligand?encoding=mol2&auth_seq_id=101 (GAI)
137
- if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return BondType.is(16 /* Aromatic */, v.flags); }) >= 2)
137
+ if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return BondType.is(16 /* BondType.Flag.Aromatic */, v.flags); }) >= 2)
138
138
  return 'C.ar'; // 1.6.3, 1acj/ligand?encoding=mol2&auth_seq_id=30 (PHE), 1acj/ligand?encoding=mol2&auth_seq_id=63 (TYR), 1acj/ligand?encoding=mol2&auth_seq_id=84 (TRP), 1acj/ligand?encoding=mol2&auth_seq_id=999 (THA)
139
139
  if ((numBonds === 1 || numBonds === 2) && this.count(bonds, this, function (_k, v) { return v.order === 3; }))
140
140
  return 'C.1'; // 1.6.4, 3i04/ligand?encoding=mol2&auth_asym_id=C&auth_seq_id=900 (CYN)
@@ -157,7 +157,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
157
157
  if (type_symbol1 === 'N') { // 1.8
158
158
  if (numNonmets === 4 && this.count(nonmets, this, function (_k, v) { return v.order === 1; }) === 4)
159
159
  return 'N.4'; // 1.8.1, 4ikf/ligand?encoding=mol2&auth_seq_id=403 (NH4)
160
- if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return BondType.is(16 /* Aromatic */, v.flags); }) >= 2)
160
+ if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return BondType.is(16 /* BondType.Flag.Aromatic */, v.flags); }) >= 2)
161
161
  return 'N.ar'; // 1.8.2, 1acj/ligand?encoding=mol2&auth_seq_id=84 (TRP), 1acj/ligand?encoding=mol2&auth_seq_id=999 (THA)
162
162
  if (numNonmets === 1 && this.count(nonmets, this, function (_k, v) { return v.order === 3; }))
163
163
  return 'N.1'; // 1.8.3, 3i04/ligand?encoding=mol2&auth_asym_id=C&auth_seq_id=900 (CYN)
@@ -198,7 +198,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
198
198
  while (!result.done) {
199
199
  var label_atom_id = result.value;
200
200
  var adjacentBonds = bondMap.map.get(label_atom_id);
201
- if (this.count(adjacentBonds, this, function (_k, v) { return v.order > 1 || BondType.is(16 /* Aromatic */, v.flags); })) {
201
+ if (this.count(adjacentBonds, this, function (_k, v) { return v.order > 1 || BondType.is(16 /* BondType.Flag.Aromatic */, v.flags); })) {
202
202
  // TODO check accurately for 2nd criterion with coordinates
203
203
  return true;
204
204
  }
@@ -16,6 +16,7 @@ import { createComputeRenderItem } from '../../../mol-gl/webgl/render-item';
16
16
  import { ValueSpec, AttributeSpec, UniformSpec, TextureSpec, DefineSpec } from '../../../mol-gl/renderable/schema';
17
17
  import { gaussianDensity_vert } from '../../../mol-gl/shader/gaussian-density.vert';
18
18
  import { gaussianDensity_frag } from '../../../mol-gl/shader/gaussian-density.frag';
19
+ import { isTimingMode } from '../../../mol-util/debug';
19
20
  var GaussianDensitySchema = {
20
21
  drawCount: ValueSpec('number'),
21
22
  instanceCount: ValueSpec('number'),
@@ -68,10 +69,20 @@ export function GaussianDensityTexture(webgl, position, box, radius, props, oldT
68
69
  GaussianDensityTexture2d(webgl, position, box, radius, false, props, oldTexture);
69
70
  }
70
71
  export function GaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, props, oldTexture) {
71
- return finalizeGaussianDensityTexture(calcGaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, props, oldTexture));
72
+ if (isTimingMode)
73
+ webgl.timer.mark('GaussianDensityTexture2d');
74
+ var data = calcGaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, props, oldTexture);
75
+ if (isTimingMode)
76
+ webgl.timer.markEnd('GaussianDensityTexture2d');
77
+ return finalizeGaussianDensityTexture(data);
72
78
  }
73
79
  export function GaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture) {
74
- return finalizeGaussianDensityTexture(calcGaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture));
80
+ if (isTimingMode)
81
+ webgl.timer.mark('GaussianDensityTexture3d');
82
+ var data = calcGaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture);
83
+ if (isTimingMode)
84
+ webgl.timer.markEnd('GaussianDensityTexture3d');
85
+ return finalizeGaussianDensityTexture(data);
75
86
  }
76
87
  function finalizeGaussianDensityTexture(_a) {
77
88
  var texture = _a.texture, scale = _a.scale, bbox = _a.bbox, gridDim = _a.gridDim, gridTexDim = _a.gridTexDim, gridTexScale = _a.gridTexScale, radiusFactor = _a.radiusFactor, resolution = _a.resolution, maxRadius = _a.maxRadius;
@@ -80,11 +80,11 @@ var AlignSequences;
80
80
  })(AlignSequences || (AlignSequences = {}));
81
81
  function entityKey(unit) {
82
82
  switch (unit.kind) {
83
- case 0 /* Atomic */:
83
+ case 0 /* Unit.Kind.Atomic */:
84
84
  return unit.model.atomicHierarchy.index.getEntityFromChain(unit.chainIndex[unit.elements[0]]);
85
- case 1 /* Spheres */:
85
+ case 1 /* Unit.Kind.Spheres */:
86
86
  return unit.model.coarseHierarchy.spheres.entityKey[unit.elements[0]];
87
- case 2 /* Gaussians */:
87
+ case 2 /* Unit.Kind.Gaussians */:
88
88
  return unit.model.coarseHierarchy.gaussians.entityKey[unit.elements[0]];
89
89
  }
90
90
  }
@@ -18,27 +18,27 @@ var Sequence;
18
18
  for (var i = 0, _i = Math.min(names.rowCount, 10); i < _i; i++) {
19
19
  var name_1 = names.value(i) || '';
20
20
  if (getProteinOneLetterCode(name_1) !== 'X')
21
- return "protein" /* Protein */;
21
+ return "protein" /* Kind.Protein */;
22
22
  if (getRnaOneLetterCode(name_1) !== 'X')
23
- return "RNA" /* RNA */;
23
+ return "RNA" /* Kind.RNA */;
24
24
  if (getDnaOneLetterCode(name_1) !== 'X')
25
- return "DNA" /* DNA */;
25
+ return "DNA" /* Kind.DNA */;
26
26
  }
27
- return "generic" /* Generic */;
27
+ return "generic" /* Kind.Generic */;
28
28
  }
29
29
  function codeProvider(kind, map) {
30
30
  var code;
31
31
  switch (kind) {
32
- case "protein" /* Protein */:
32
+ case "protein" /* Kind.Protein */:
33
33
  code = getProteinOneLetterCode;
34
34
  break;
35
- case "DNA" /* DNA */:
35
+ case "DNA" /* Kind.DNA */:
36
36
  code = getDnaOneLetterCode;
37
37
  break;
38
- case "RNA" /* RNA */:
38
+ case "RNA" /* Kind.RNA */:
39
39
  code = getRnaOneLetterCode;
40
40
  break;
41
- case "generic" /* Generic */:
41
+ case "generic" /* Kind.Generic */:
42
42
  code = function () { return 'X'; };
43
43
  break;
44
44
  default: assertUnreachable(kind);
@@ -119,7 +119,7 @@ var Sequence;
119
119
  return ResidueNamesImpl;
120
120
  }());
121
121
  function ofSequenceRanges(seqIdBegin, seqIdEnd) {
122
- var kind = "generic" /* Generic */;
122
+ var kind = "generic" /* Kind.Generic */;
123
123
  return new SequenceRangesImpl(kind, seqIdBegin, seqIdEnd);
124
124
  }
125
125
  Sequence.ofSequenceRanges = ofSequenceRanges;
@@ -30,8 +30,8 @@ export var AtomSiteOperatorMappingSchema = {
30
30
  ncs_id: Column.Schema.Int(),
31
31
  }
32
32
  };
33
- var asmValueKind = function (i, xs) { return typeof xs[i].operator.assembly === 'undefined' ? 1 /* NotPresent */ : 0 /* Present */; };
34
- var symmetryValueKind = function (i, xs) { return xs[i].operator.spgrOp === -1 ? 1 /* NotPresent */ : 0 /* Present */; };
33
+ var asmValueKind = function (i, xs) { return typeof xs[i].operator.assembly === 'undefined' ? 1 /* Column.ValueKind.NotPresent */ : 0 /* Column.ValueKind.Present */; };
34
+ var symmetryValueKind = function (i, xs) { return xs[i].operator.spgrOp === -1 ? 1 /* Column.ValueKind.NotPresent */ : 0 /* Column.ValueKind.Present */; };
35
35
  var Fields = CifWriter.fields()
36
36
  .str('label_asym_id', function (i, xs) { return xs[i].label_asym_id; })
37
37
  .str('auth_asym_id', function (i, xs) { return xs[i].auth_asym_id; })
@@ -62,7 +62,7 @@ function getEntries(ctx) {
62
62
  for (var _b = 0, _c = s.units; _b < _c.length; _b++) {
63
63
  var unit = _c[_b];
64
64
  var operator = unit.conformation.operator;
65
- if (!operator.suffix || unit.kind !== 0 /* Atomic */)
65
+ if (!operator.suffix || unit.kind !== 0 /* Unit.Kind.Atomic */)
66
66
  continue;
67
67
  l.unit = unit;
68
68
  var elements = unit.elements;
@@ -41,7 +41,7 @@ var struct_conf_fields = function () { return __spreadArray(__spreadArray(__spre
41
41
  ], residueIdFields(function (i, e) { return e[i].start; }, { prefix: 'beg' }), true), residueIdFields(function (i, e) { return e[i].end; }, { prefix: 'end' }), true), [
42
42
  CifField.str('pdbx_PDB_helix_class', function (i, data) { return data[i].element.helix_class; }),
43
43
  CifField.str('details', function (i, data) { return data[i].element.details || ''; }, {
44
- valueKind: function (i, d) { return !!d[i].element.details ? 0 /* Present */ : 2 /* Unknown */; }
44
+ valueKind: function (i, d) { return !!d[i].element.details ? 0 /* Column.ValueKind.Present */ : 2 /* Column.ValueKind.Unknown */; }
45
45
  }),
46
46
  CifField.int('pdbx_PDB_helix_length', function (i, data) { return data[i].length; })
47
47
  ], false); };
@@ -49,7 +49,7 @@ var struct_sheet_range_fields = function () { return __spreadArray(__spreadArray
49
49
  CifField.str('sheet_id', function (i, data) { return data[i].element.sheet_id; }),
50
50
  CifField.index('id')
51
51
  ], residueIdFields(function (i, e) { return e[i].start; }, { prefix: 'beg' }), true), residueIdFields(function (i, e) { return e[i].end; }, { prefix: 'end' }), true), [
52
- CifField.str('symmetry', function (i, data) { return ''; }, { valueKind: function (i, d) { return 2 /* Unknown */; } })
52
+ CifField.str('symmetry', function (i, data) { return ''; }, { valueKind: function (i, d) { return 2 /* Column.ValueKind.Unknown */; } })
53
53
  ], false); };
54
54
  function findElements(ctx, kind) {
55
55
  // TODO: encode secondary structure for different models?
@@ -89,7 +89,7 @@ export function copy_source_mmCifCategory(encoder, ctx, category) {
89
89
  function classifyField(name, field) {
90
90
  var type = getCifFieldType(field);
91
91
  if (type['@type'] === 'str') {
92
- return { name: name, type: 0 /* Str */, value: field.str, valueKind: field.valueKind };
92
+ return { name: name, type: 0 /* CifWriter.Field.Type.Str */, value: field.str, valueKind: field.valueKind };
93
93
  }
94
94
  else if (type['@type'] === 'float') {
95
95
  return CifWriter.Field.float(name, field.float, { valueKind: field.valueKind, typedArray: Float64Array });
@@ -168,7 +168,7 @@ export var Model;
168
168
  var polymerResidueCount = 0;
169
169
  var polymerType = model.atomicHierarchy.derived.residue.polymerType;
170
170
  for (var i = 0; i < polymerType.length; ++i) {
171
- if (polymerType[i] !== 0 /* NA */)
171
+ if (polymerType[i] !== 0 /* PolymerType.NA */)
172
172
  polymerResidueCount += 1;
173
173
  }
174
174
  // check for coarse grained atom names
@@ -337,7 +337,7 @@ export var Model;
337
337
  // check if from pdb archive but missing relevant meta data
338
338
  hasPdbId(model) && (!db.exptl.method.isDefined ||
339
339
  (isFromXray(model) && (!db.pdbx_database_status.status_code_sf.isDefined ||
340
- db.pdbx_database_status.status_code_sf.valueKind(0) === 2 /* Unknown */)) ||
340
+ db.pdbx_database_status.status_code_sf.valueKind(0) === 2 /* Column.ValueKind.Unknown */)) ||
341
341
  (isFromEm(model) && (!db.pdbx_database_related.db_name.isDefined))));
342
342
  }
343
343
  Model.probablyHasDensityMap = probablyHasDensityMap;
@@ -31,22 +31,22 @@ export var IndexedCustomProperty;
31
31
  IndexedCustomProperty.fromAtomArray = fromAtomArray;
32
32
  var getResidueSegments = function (model) { return model.atomicHierarchy.residueAtomSegments; };
33
33
  function fromResidueMap(map) {
34
- return new SegmentedMappedIndexedCustomProperty('residue', map, getResidueSegments, 0 /* Atomic */);
34
+ return new SegmentedMappedIndexedCustomProperty('residue', map, getResidueSegments, 0 /* Unit.Kind.Atomic */);
35
35
  }
36
36
  IndexedCustomProperty.fromResidueMap = fromResidueMap;
37
37
  function fromResidueArray(array) {
38
38
  // TODO: create "array based custom property" as optimization
39
- return new SegmentedMappedIndexedCustomProperty('residue', arrayToMap(array), getResidueSegments, 0 /* Atomic */);
39
+ return new SegmentedMappedIndexedCustomProperty('residue', arrayToMap(array), getResidueSegments, 0 /* Unit.Kind.Atomic */);
40
40
  }
41
41
  IndexedCustomProperty.fromResidueArray = fromResidueArray;
42
42
  var getChainSegments = function (model) { return model.atomicHierarchy.chainAtomSegments; };
43
43
  function fromChainMap(map) {
44
- return new SegmentedMappedIndexedCustomProperty('chain', map, getChainSegments, 0 /* Atomic */);
44
+ return new SegmentedMappedIndexedCustomProperty('chain', map, getChainSegments, 0 /* Unit.Kind.Atomic */);
45
45
  }
46
46
  IndexedCustomProperty.fromChainMap = fromChainMap;
47
47
  function fromChainArray(array) {
48
48
  // TODO: create "array based custom property" as optimization
49
- return new SegmentedMappedIndexedCustomProperty('chain', arrayToMap(array), getChainSegments, 0 /* Atomic */);
49
+ return new SegmentedMappedIndexedCustomProperty('chain', arrayToMap(array), getChainSegments, 0 /* Unit.Kind.Atomic */);
50
50
  }
51
51
  IndexedCustomProperty.fromChainArray = fromChainArray;
52
52
  function fromEntityMap(map) {
@@ -109,7 +109,7 @@ var ElementMappedCustomProperty = /** @class */ (function () {
109
109
  this.map = map;
110
110
  this.id = UUID.create22();
111
111
  this.level = 'atom';
112
- this.kind = 0 /* Atomic */;
112
+ this.kind = 0 /* Unit.Kind.Atomic */;
113
113
  }
114
114
  ElementMappedCustomProperty.prototype.has = function (idx) { return this.map.has(idx); };
115
115
  ElementMappedCustomProperty.prototype.get = function (idx) { return this.map.get(idx); };
@@ -150,7 +150,7 @@ var EntityMappedCustomProperty = /** @class */ (function () {
150
150
  this.map = map;
151
151
  this.id = UUID.create22();
152
152
  this.level = 'entity';
153
- this.kind = 0 /* Atomic */;
153
+ this.kind = 0 /* Unit.Kind.Atomic */;
154
154
  }
155
155
  EntityMappedCustomProperty.prototype.has = function (idx) { return this.map.has(idx); };
156
156
  EntityMappedCustomProperty.prototype.get = function (idx) { return this.map.get(idx); };
@@ -12,7 +12,7 @@ function areBackboneConnected(riStart, riEnd, conformation, index, derived) {
12
12
  var _a = derived.residue, polymerType = _a.polymerType, traceElementIndex = _a.traceElementIndex, directionFromElementIndex = _a.directionFromElementIndex, directionToElementIndex = _a.directionToElementIndex;
13
13
  var ptStart = polymerType[riStart];
14
14
  var ptEnd = polymerType[riEnd];
15
- if (ptStart === 0 /* NA */ || ptEnd === 0 /* NA */)
15
+ if (ptStart === 0 /* PolymerType.NA */ || ptEnd === 0 /* PolymerType.NA */)
16
16
  return false;
17
17
  if (traceElementIndex[riStart] === -1 || traceElementIndex[riEnd] === -1)
18
18
  return false;