molstar 3.8.2 → 3.9.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (516) hide show
  1. package/build/viewer/index.html +4 -1
  2. package/build/viewer/molstar.js +1 -1
  3. package/lib/apps/viewer/app.d.ts +1 -1
  4. package/lib/apps/viewer/app.js +1 -1
  5. package/lib/apps/viewer/index.html +4 -1
  6. package/lib/cli/cif2bcif/converter.js +1 -1
  7. package/lib/commonjs/apps/viewer/app.d.ts +1 -1
  8. package/lib/commonjs/apps/viewer/app.js +2 -1
  9. package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
  10. package/lib/commonjs/examples/alpha-orbitals/index.d.ts +1 -1
  11. package/lib/commonjs/examples/alpha-orbitals/index.js +4 -1
  12. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +1 -1
  13. package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +3 -3
  14. package/lib/commonjs/extensions/alpha-orbitals/density.d.ts +1 -1
  15. package/lib/commonjs/extensions/alpha-orbitals/density.js +6 -2
  16. package/lib/commonjs/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  17. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +6 -3
  18. package/lib/commonjs/extensions/anvil/algorithm.js +1 -1
  19. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  20. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  21. package/lib/commonjs/extensions/cellpack/state.js +1 -1
  22. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +1 -1
  23. package/lib/commonjs/extensions/g3d/model.js +1 -1
  24. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
  25. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
  26. package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +1 -1
  27. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +4 -4
  28. package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +1 -1
  29. package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
  30. package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
  31. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  32. package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
  33. package/lib/commonjs/mol-canvas3d/controls/trackball.js +7 -7
  34. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +14 -14
  35. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +5 -5
  36. package/lib/commonjs/mol-canvas3d/passes/draw.js +34 -5
  37. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +5 -0
  38. package/lib/commonjs/mol-canvas3d/passes/marking.js +5 -0
  39. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +9 -0
  40. package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +18 -5
  41. package/lib/commonjs/mol-canvas3d/passes/pick.js +125 -24
  42. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +5 -0
  43. package/lib/commonjs/mol-canvas3d/passes/smaa.js +4 -0
  44. package/lib/commonjs/mol-canvas3d/passes/wboit.js +4 -0
  45. package/lib/commonjs/mol-data/db/column.js +5 -5
  46. package/lib/commonjs/mol-data/db/table.js +2 -2
  47. package/lib/commonjs/mol-data/util/array.d.ts +1 -1
  48. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
  49. package/lib/commonjs/mol-gl/compute/grid3d.d.ts +2 -2
  50. package/lib/commonjs/mol-gl/compute/grid3d.js +30 -8
  51. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
  52. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
  53. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
  54. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +6 -1
  55. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
  56. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
  57. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
  58. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -10
  59. package/lib/commonjs/mol-gl/renderer.js +77 -32
  60. package/lib/commonjs/mol-gl/scene.js +2 -0
  61. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
  62. package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
  63. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  64. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  65. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
  66. package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
  67. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
  68. package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
  69. package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
  70. package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
  71. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  72. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  73. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
  74. package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
  75. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +1 -1
  76. package/lib/commonjs/mol-gl/shader/lines.frag.js +1 -1
  77. package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
  78. package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
  79. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +1 -1
  80. package/lib/commonjs/mol-gl/shader/points.frag.js +1 -1
  81. package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
  82. package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
  83. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +1 -1
  84. package/lib/commonjs/mol-gl/shader/text.frag.js +1 -1
  85. package/lib/commonjs/mol-gl/shader-code.d.ts +1 -1
  86. package/lib/commonjs/mol-gl/shader-code.js +41 -9
  87. package/lib/commonjs/mol-gl/webgl/compat.d.ts +34 -1
  88. package/lib/commonjs/mol-gl/webgl/compat.js +50 -2
  89. package/lib/commonjs/mol-gl/webgl/context.d.ts +2 -0
  90. package/lib/commonjs/mol-gl/webgl/context.js +3 -0
  91. package/lib/commonjs/mol-gl/webgl/extensions.d.ts +3 -2
  92. package/lib/commonjs/mol-gl/webgl/extensions.js +6 -1
  93. package/lib/commonjs/mol-gl/webgl/timer.d.ts +22 -0
  94. package/lib/commonjs/mol-gl/webgl/timer.js +169 -0
  95. package/lib/commonjs/mol-io/common/binary-cif/array-encoder.js +18 -18
  96. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +16 -16
  97. package/lib/commonjs/mol-io/common/binary-cif/encoding.js +9 -9
  98. package/lib/commonjs/mol-io/reader/cif/binary/field.js +3 -3
  99. package/lib/commonjs/mol-io/reader/cif/data-model.js +14 -14
  100. package/lib/commonjs/mol-io/reader/cif/schema.js +1 -1
  101. package/lib/commonjs/mol-io/reader/cif/text/parser.js +23 -23
  102. package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +1 -1
  103. package/lib/commonjs/mol-io/reader/common/text/column/token.js +1 -1
  104. package/lib/commonjs/mol-io/reader/common/text/number-parser.js +6 -6
  105. package/lib/commonjs/mol-io/reader/csv/parser.js +8 -8
  106. package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +10 -10
  107. package/lib/commonjs/mol-io/writer/cif/encoder/text.js +7 -7
  108. package/lib/commonjs/mol-io/writer/cif/encoder.js +8 -8
  109. package/lib/commonjs/mol-io/writer/mol2/encoder.js +4 -4
  110. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +13 -2
  111. package/lib/commonjs/mol-model/sequence/alignment/sequence.js +3 -3
  112. package/lib/commonjs/mol-model/sequence/sequence.js +9 -9
  113. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
  114. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  115. package/lib/commonjs/mol-model/structure/export/categories/utils.js +1 -1
  116. package/lib/commonjs/mol-model/structure/model/model.js +2 -2
  117. package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js +6 -6
  118. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
  119. package/lib/commonjs/mol-model/structure/model/types.js +116 -116
  120. package/lib/commonjs/mol-model/structure/query/context.js +1 -1
  121. package/lib/commonjs/mol-model/structure/query/queries/generators.js +5 -5
  122. package/lib/commonjs/mol-model/structure/query/queries/internal.js +4 -4
  123. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +4 -4
  124. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
  125. package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +9 -9
  126. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +106 -106
  127. package/lib/commonjs/mol-model/structure/structure/element/loci.js +5 -5
  128. package/lib/commonjs/mol-model/structure/structure/element/stats.js +5 -5
  129. package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
  130. package/lib/commonjs/mol-model/structure/structure/structure.js +11 -11
  131. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
  132. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
  133. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +2 -2
  134. package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +1 -1
  135. package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +6 -6
  136. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +6 -6
  137. package/lib/commonjs/mol-model/structure/structure/unit.js +16 -16
  138. package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
  139. package/lib/commonjs/mol-model/structure/util.js +4 -4
  140. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -2
  141. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +4 -4
  142. package/lib/commonjs/mol-model-formats/structure/basic/properties.js +1 -1
  143. package/lib/commonjs/mol-model-formats/structure/basic/sort.js +1 -1
  144. package/lib/commonjs/mol-model-formats/structure/basic/util.js +1 -1
  145. package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
  146. package/lib/commonjs/mol-model-formats/structure/common/entity.js +1 -1
  147. package/lib/commonjs/mol-model-formats/structure/cube.js +1 -1
  148. package/lib/commonjs/mol-model-formats/structure/gro.js +1 -1
  149. package/lib/commonjs/mol-model-formats/structure/mol.js +1 -1
  150. package/lib/commonjs/mol-model-formats/structure/mol2.js +4 -4
  151. package/lib/commonjs/mol-model-formats/structure/prmtop.js +1 -1
  152. package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
  153. package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
  154. package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
  155. package/lib/commonjs/mol-model-formats/structure/property/secondary-structure.js +8 -8
  156. package/lib/commonjs/mol-model-formats/structure/psf.js +1 -1
  157. package/lib/commonjs/mol-model-formats/structure/top.js +1 -1
  158. package/lib/commonjs/mol-model-formats/structure/xyz.js +1 -1
  159. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
  160. package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
  161. package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +2 -2
  162. package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +31 -31
  163. package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +22 -22
  164. package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +32 -32
  165. package/lib/commonjs/mol-model-props/computed/interactions/charged.js +39 -39
  166. package/lib/commonjs/mol-model-props/computed/interactions/common.js +34 -34
  167. package/lib/commonjs/mol-model-props/computed/interactions/contacts-builder.js +1 -1
  168. package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
  169. package/lib/commonjs/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
  170. package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
  171. package/lib/commonjs/mol-model-props/computed/interactions/hydrophobic.js +9 -9
  172. package/lib/commonjs/mol-model-props/computed/interactions/metal.js +26 -26
  173. package/lib/commonjs/mol-model-props/computed/interactions/refine.js +20 -20
  174. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
  175. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
  176. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
  177. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
  178. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
  179. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
  180. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
  181. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
  182. package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +30 -30
  183. package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
  184. package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +10 -10
  185. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
  186. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
  187. package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +1 -1
  188. package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
  189. package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -1
  190. package/lib/commonjs/mol-plugin/animation-loop.js +18 -5
  191. package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +12 -12
  192. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +7 -7
  193. package/lib/commonjs/mol-plugin/context.d.ts +2 -2
  194. package/lib/commonjs/mol-plugin/state.d.ts +1 -14
  195. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +12 -11
  196. package/lib/commonjs/mol-plugin-state/formats/volume.js +20 -13
  197. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +5 -5
  198. package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
  199. package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +1 -1
  200. package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
  201. package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +1 -1
  202. package/lib/commonjs/mol-plugin-ui/structure/focus.js +1 -1
  203. package/lib/commonjs/mol-plugin-ui/viewport.d.ts +2 -2
  204. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
  205. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
  206. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -12
  207. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +12 -12
  208. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
  209. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
  210. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
  211. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
  212. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
  213. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
  214. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
  215. package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -3
  216. package/lib/commonjs/mol-repr/structure/visual/util/link.js +30 -30
  217. package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
  218. package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
  219. package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
  220. package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +6 -6
  221. package/lib/commonjs/mol-script/language/symbol-table/core.d.ts +2 -2
  222. package/lib/commonjs/mol-script/runtime/query/table.js +13 -13
  223. package/lib/commonjs/mol-state/object.d.ts +3 -3
  224. package/lib/commonjs/mol-task/util/user-timing.js +1 -1
  225. package/lib/commonjs/mol-theme/clipping.js +19 -19
  226. package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
  227. package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +1 -1
  228. package/lib/commonjs/mol-theme/color/chain-id.js +4 -4
  229. package/lib/commonjs/mol-theme/color/element-index.js +1 -1
  230. package/lib/commonjs/mol-theme/color/element-symbol.js +1 -1
  231. package/lib/commonjs/mol-theme/color/entity-id.js +4 -4
  232. package/lib/commonjs/mol-theme/color/entity-source.js +5 -4
  233. package/lib/commonjs/mol-theme/color/hydrophobicity.js +1 -1
  234. package/lib/commonjs/mol-theme/color/illustrative.js +1 -1
  235. package/lib/commonjs/mol-theme/color/model-index.js +1 -1
  236. package/lib/commonjs/mol-theme/color/molecule-type.js +8 -8
  237. package/lib/commonjs/mol-theme/color/occupancy.js +1 -1
  238. package/lib/commonjs/mol-theme/color/operator-hkl.js +1 -1
  239. package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
  240. package/lib/commonjs/mol-theme/color/partial-charge.js +1 -1
  241. package/lib/commonjs/mol-theme/color/polymer-id.js +4 -4
  242. package/lib/commonjs/mol-theme/color/polymer-index.js +1 -1
  243. package/lib/commonjs/mol-theme/color/residue-name.js +1 -1
  244. package/lib/commonjs/mol-theme/color/secondary-structure.js +12 -12
  245. package/lib/commonjs/mol-theme/color/sequence-id.js +7 -7
  246. package/lib/commonjs/mol-theme/color/shape-group.js +1 -1
  247. package/lib/commonjs/mol-theme/color/uncertainty.js +1 -1
  248. package/lib/commonjs/mol-theme/color/uniform.js +1 -1
  249. package/lib/commonjs/mol-theme/color/unit-index.js +1 -1
  250. package/lib/commonjs/mol-theme/color/volume-value.js +1 -1
  251. package/lib/commonjs/mol-theme/label.js +3 -3
  252. package/lib/commonjs/mol-util/binding.js +4 -4
  253. package/lib/commonjs/mol-util/debug.d.ts +6 -1
  254. package/lib/commonjs/mol-util/debug.js +11 -1
  255. package/lib/commonjs/mol-util/input/input-observer.js +20 -20
  256. package/lib/commonjs/mol-util/string-builder.js +1 -1
  257. package/lib/commonjs/servers/model/preprocess/converter.js +1 -1
  258. package/lib/commonjs/servers/model/server/query.js +1 -1
  259. package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -2
  260. package/lib/commonjs/servers/volume/server/algebra/coordinate.js +6 -6
  261. package/lib/commonjs/servers/volume/server/query/encode.js +1 -1
  262. package/lib/examples/alpha-orbitals/index.d.ts +1 -1
  263. package/lib/examples/alpha-orbitals/index.html +11 -0
  264. package/lib/examples/alpha-orbitals/index.js +4 -1
  265. package/lib/examples/basic-wrapper/custom-theme.js +1 -1
  266. package/lib/examples/proteopedia-wrapper/coloring.js +3 -3
  267. package/lib/extensions/alpha-orbitals/density.d.ts +1 -1
  268. package/lib/extensions/alpha-orbitals/density.js +6 -2
  269. package/lib/extensions/alpha-orbitals/orbitals.d.ts +1 -1
  270. package/lib/extensions/alpha-orbitals/orbitals.js +6 -3
  271. package/lib/extensions/anvil/algorithm.js +1 -1
  272. package/lib/extensions/cellpack/color/generate.js +1 -1
  273. package/lib/extensions/cellpack/color/provided.js +1 -1
  274. package/lib/extensions/cellpack/state.js +1 -1
  275. package/lib/extensions/dnatco/confal-pyramids/color.js +1 -1
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  516. package/package.json +8 -8
@@ -16,10 +16,10 @@ function Field(column) {
16
16
  var isNumeric = db_1.ColumnHelpers.isTypedArray(data);
17
17
  var str = isNumeric
18
18
  ? mask
19
- ? function (row) { return mask[row] === 0 /* Present */ ? '' + data[row] : ''; }
19
+ ? function (row) { return mask[row] === 0 /* Column.ValueKind.Present */ ? '' + data[row] : ''; }
20
20
  : function (row) { return '' + data[row]; }
21
21
  : mask
22
- ? function (row) { return mask[row] === 0 /* Present */ ? data[row] : ''; }
22
+ ? function (row) { return mask[row] === 0 /* Column.ValueKind.Present */ ? data[row] : ''; }
23
23
  : function (row) { return data[row]; };
24
24
  var int = isNumeric
25
25
  ? function (row) { return data[row]; }
@@ -29,7 +29,7 @@ function Field(column) {
29
29
  : function (row) { var v = data[row]; return (0, number_parser_1.parseFloat)(v, 0, v.length); };
30
30
  var valueKind = mask
31
31
  ? function (row) { return mask[row]; }
32
- : function (row) { return 0 /* Present */; };
32
+ : function (row) { return 0 /* Column.ValueKind.Present */; };
33
33
  var rowCount = data.length;
34
34
  return {
35
35
  __array: data,
@@ -78,15 +78,15 @@ var CifField;
78
78
  var valueKind = function (row) {
79
79
  var v = values[row], l = v.length;
80
80
  if (l > 1)
81
- return 0 /* Present */;
81
+ return 0 /* Column.ValueKind.Present */;
82
82
  if (l === 0)
83
- return 1 /* NotPresent */;
83
+ return 1 /* Column.ValueKind.NotPresent */;
84
84
  var c = v.charCodeAt(0);
85
85
  if (c === 46 /* . */)
86
- return 1 /* NotPresent */;
86
+ return 1 /* Column.ValueKind.NotPresent */;
87
87
  if (c === 63 /* ? */)
88
- return 2 /* Unknown */;
89
- return 0 /* Present */;
88
+ return 2 /* Column.ValueKind.Unknown */;
89
+ return 0 /* Column.ValueKind.Present */;
90
90
  };
91
91
  return {
92
92
  __array: void 0,
@@ -108,7 +108,7 @@ var CifField;
108
108
  var rowCount = values.length;
109
109
  var str = function (row) { return '' + values[row]; };
110
110
  var float = function (row) { return values[row]; };
111
- var valueKind = function (row) { return 0 /* Present */; };
111
+ var valueKind = function (row) { return 0 /* Column.ValueKind.Present */; };
112
112
  var toFloatArray = function (params) {
113
113
  if (!params || params.array && values instanceof params.array) {
114
114
  return values;
@@ -150,15 +150,15 @@ var CifField;
150
150
  var valueKind = function (row) {
151
151
  var s = indices[2 * row], l = indices[2 * row + 1] - s;
152
152
  if (l > 1)
153
- return 0 /* Present */;
153
+ return 0 /* Column.ValueKind.Present */;
154
154
  if (l === 0)
155
- return 1 /* NotPresent */;
155
+ return 1 /* Column.ValueKind.NotPresent */;
156
156
  var v = data.charCodeAt(s);
157
157
  if (v === 46 /* . */)
158
- return 1 /* NotPresent */;
158
+ return 1 /* Column.ValueKind.NotPresent */;
159
159
  if (v === 63 /* ? */)
160
- return 2 /* Unknown */;
161
- return 0 /* Present */;
160
+ return 2 /* Column.ValueKind.Unknown */;
161
+ return 0 /* Column.ValueKind.Present */;
162
162
  };
163
163
  return {
164
164
  __array: void 0,
@@ -282,14 +282,14 @@ function getCifFieldType(field) {
282
282
  var floatCount = 0, hasStringOrScientific = false, undefinedCount = 0;
283
283
  for (var i = 0, _i = field.rowCount; i < _i; i++) {
284
284
  var k = field.valueKind(i);
285
- if (k !== 0 /* Present */) {
285
+ if (k !== 0 /* Column.ValueKind.Present */) {
286
286
  undefinedCount++;
287
287
  continue;
288
288
  }
289
289
  var type = (0, number_parser_1.getNumberType)(field.str(i));
290
- if (type === 0 /* Int */)
290
+ if (type === 0 /* NumberType.Int */)
291
291
  continue;
292
- else if (type === 1 /* Float */)
292
+ else if (type === 1 /* NumberType.Float */)
293
293
  floatCount++;
294
294
  else {
295
295
  hasStringOrScientific = true;
@@ -99,7 +99,7 @@ function createListColumn(schema, category, key) {
99
99
  isDefined: !!f,
100
100
  rowCount: category.rowCount,
101
101
  value: value,
102
- valueKind: f ? f.valueKind : function () { return 1 /* NotPresent */; },
102
+ valueKind: f ? f.valueKind : function () { return 1 /* Column.ValueKind.NotPresent */; },
103
103
  areValuesEqual: function (rowA, rowB) { return (0, mol_util_1.arrayEqual)(value(rowA), value(rowB)); },
104
104
  toArray: toArray
105
105
  };
@@ -376,7 +376,7 @@ function getTokenString(state) {
376
376
  function moveNextInternal(state) {
377
377
  var prev = skipWhitespace(state);
378
378
  if (state.position >= state.length) {
379
- state.tokenType = 6 /* End */;
379
+ state.tokenType = 6 /* CifTokenType.End */;
380
380
  return;
381
381
  }
382
382
  state.tokenStart = state.position;
@@ -386,17 +386,17 @@ function moveNextInternal(state) {
386
386
  switch (c) {
387
387
  case 35: // #, comment
388
388
  skipCommentLine(state);
389
- state.tokenType = 5 /* Comment */;
389
+ state.tokenType = 5 /* CifTokenType.Comment */;
390
390
  break;
391
391
  case 39: // ', escaped value
392
392
  if (isTripleQuoteAtPosition(state)) {
393
393
  eatTripleQuote(state);
394
- state.tokenType = 3 /* Value */;
394
+ state.tokenType = 3 /* CifTokenType.Value */;
395
395
  break;
396
396
  }
397
397
  case 34: // ", escaped value
398
398
  eatEscaped(state, c);
399
- state.tokenType = 3 /* Value */;
399
+ state.tokenType = 3 /* CifTokenType.Value */;
400
400
  break;
401
401
  case 59: // ;, possible multiline value
402
402
  // multiline value must start at the beginning of the line.
@@ -406,7 +406,7 @@ function moveNextInternal(state) {
406
406
  else {
407
407
  eatValue(state);
408
408
  }
409
- state.tokenType = 3 /* Value */;
409
+ state.tokenType = 3 /* CifTokenType.Value */;
410
410
  break;
411
411
  default:
412
412
  if (state.isImportGet) {
@@ -417,29 +417,29 @@ function moveNextInternal(state) {
417
417
  }
418
418
  // escaped is always Value
419
419
  if (state.isEscaped) {
420
- state.tokenType = 3 /* Value */;
420
+ state.tokenType = 3 /* CifTokenType.Value */;
421
421
  // _ means column name, including _import.get
422
422
  }
423
423
  else if (state.data.charCodeAt(state.tokenStart) === 95) { // _
424
424
  if (state.inSaveFrame && isImportGet(state)) {
425
425
  state.isImportGet = true;
426
426
  }
427
- state.tokenType = 4 /* ColumnName */;
427
+ state.tokenType = 4 /* CifTokenType.ColumnName */;
428
428
  // 5th char needs to be _ for data_, save_ or loop_
429
429
  }
430
430
  else if (state.tokenEnd - state.tokenStart >= 5 && state.data.charCodeAt(state.tokenStart + 4) === 95) {
431
431
  if (isData(state))
432
- state.tokenType = 0 /* Data */;
432
+ state.tokenType = 0 /* CifTokenType.Data */;
433
433
  else if (isSave(state))
434
- state.tokenType = 1 /* Save */;
434
+ state.tokenType = 1 /* CifTokenType.Save */;
435
435
  else if (isLoop(state))
436
- state.tokenType = 2 /* Loop */;
436
+ state.tokenType = 2 /* CifTokenType.Loop */;
437
437
  else
438
- state.tokenType = 3 /* Value */;
438
+ state.tokenType = 3 /* CifTokenType.Value */;
439
439
  // all other tests failed, we are at Value token.
440
440
  }
441
441
  else {
442
- state.tokenType = 3 /* Value */;
442
+ state.tokenType = 3 /* CifTokenType.Value */;
443
443
  }
444
444
  break;
445
445
  }
@@ -449,7 +449,7 @@ function moveNextInternal(state) {
449
449
  */
450
450
  function moveNext(state) {
451
451
  moveNextInternal(state);
452
- while (state.tokenType === 5 /* Comment */)
452
+ while (state.tokenType === 5 /* CifTokenType.Comment */)
453
453
  moveNextInternal(state);
454
454
  }
455
455
  function createTokenizer(data, runtimeCtx) {
@@ -459,7 +459,7 @@ function createTokenizer(data, runtimeCtx) {
459
459
  position: 0,
460
460
  tokenStart: 0,
461
461
  tokenEnd: 0,
462
- tokenType: 6 /* End */,
462
+ tokenType: 6 /* CifTokenType.End */,
463
463
  lineNumber: 1,
464
464
  isEscaped: false,
465
465
  isImportGet: false,
@@ -507,13 +507,13 @@ function handleSingle(tokenizer, ctx) {
507
507
  var fieldNames = [];
508
508
  var readingNames = true;
509
509
  while (readingNames) {
510
- if (tokenizer.tokenType !== 4 /* ColumnName */ || !isNamespace(tokenizer, nsStart, nsEnd)) {
510
+ if (tokenizer.tokenType !== 4 /* CifTokenType.ColumnName */ || !isNamespace(tokenizer, nsStart, nsEnd)) {
511
511
  readingNames = false;
512
512
  break;
513
513
  }
514
514
  var fieldName = getTokenString(tokenizer).substring(name.length + 1);
515
515
  moveNext(tokenizer);
516
- if (tokenizer.tokenType !== 3 /* Value */) {
516
+ if (tokenizer.tokenType !== 3 /* CifTokenType.Value */) {
517
517
  return {
518
518
  hasError: true,
519
519
  errorLine: tokenizer.lineNumber,
@@ -535,7 +535,7 @@ function readLoopChunk(chunkSize, state) {
535
535
  var tokenizer = state.tokenizer, tokens = state.tokens, fieldCount = state.fieldCount;
536
536
  var tokenCount = state.tokenCount;
537
537
  var counter = 0;
538
- while (tokenizer.tokenType === 3 /* Value */ && counter < chunkSize) {
538
+ while (tokenizer.tokenType === 3 /* CifTokenType.Value */ && counter < chunkSize) {
539
539
  tokenizer_1.TokenBuilder.add(tokens[(tokenCount++) % fieldCount], tokenizer.tokenStart, tokenizer.tokenEnd);
540
540
  moveNext(tokenizer);
541
541
  counter++;
@@ -563,7 +563,7 @@ function handleLoop(tokenizer, ctx) {
563
563
  name = getNamespace(tokenizer, getNamespaceEnd(tokenizer));
564
564
  isFlat = isFlatNamespace(tokenizer);
565
565
  fieldNames = [];
566
- while (tokenizer.tokenType === 4 /* ColumnName */) {
566
+ while (tokenizer.tokenType === 4 /* CifTokenType.ColumnName */) {
567
567
  fieldNames[fieldNames.length] = isFlat
568
568
  ? getTokenString(tokenizer)
569
569
  : getTokenString(tokenizer).substring(name.length + 1);
@@ -648,9 +648,9 @@ function parseInternal(data, runtimeCtx) {
648
648
  moveNext(tokenizer);
649
649
  _a.label = 1;
650
650
  case 1:
651
- if (!(tokenizer.tokenType !== 6 /* End */)) return [3 /*break*/, 7];
651
+ if (!(tokenizer.tokenType !== 6 /* CifTokenType.End */)) return [3 /*break*/, 7];
652
652
  token = tokenizer.tokenType;
653
- if (!(token === 0 /* Data */)) return [3 /*break*/, 2];
653
+ if (!(token === 0 /* CifTokenType.Data */)) return [3 /*break*/, 2];
654
654
  if (tokenizer.inSaveFrame) {
655
655
  return [2 /*return*/, error(tokenizer.lineNumber, 'Unexpected data block inside a save frame.')];
656
656
  }
@@ -663,7 +663,7 @@ function parseInternal(data, runtimeCtx) {
663
663
  moveNext(tokenizer);
664
664
  return [3 /*break*/, 6];
665
665
  case 2:
666
- if (!(token === 1 /* Save */)) return [3 /*break*/, 3];
666
+ if (!(token === 1 /* CifTokenType.Save */)) return [3 /*break*/, 3];
667
667
  if (tokenizer.tokenEnd - tokenizer.tokenStart === 5) { // end of save frame
668
668
  if (saveCtx.categoryNames.length > 0) {
669
669
  saveFrames[saveFrames.length] = CifSaveFrame(saveCtx, saveHeader);
@@ -682,7 +682,7 @@ function parseInternal(data, runtimeCtx) {
682
682
  moveNext(tokenizer);
683
683
  return [3 /*break*/, 6];
684
684
  case 3:
685
- if (!(token === 2 /* Loop */)) return [3 /*break*/, 5];
685
+ if (!(token === 2 /* CifTokenType.Loop */)) return [3 /*break*/, 5];
686
686
  return [4 /*yield*/, handleLoop(tokenizer, tokenizer.inSaveFrame ? saveCtx : blockCtx)];
687
687
  case 4:
688
688
  cat = _a.sent();
@@ -691,7 +691,7 @@ function parseInternal(data, runtimeCtx) {
691
691
  }
692
692
  return [3 /*break*/, 6];
693
693
  case 5:
694
- if (token === 4 /* ColumnName */) {
694
+ if (token === 4 /* CifTokenType.ColumnName */) {
695
695
  cat = handleSingle(tokenizer, tokenizer.inSaveFrame ? saveCtx : blockCtx);
696
696
  if (cat.hasError) {
697
697
  return [2 /*return*/, error(cat.errorLine, cat.errorMessage)];
@@ -43,7 +43,7 @@ function FixedColumn(lines, offset, width, schema) {
43
43
  isDefined: true,
44
44
  rowCount: rowCount,
45
45
  value: value,
46
- valueKind: function (row) { return 0 /* Present */; },
46
+ valueKind: function (row) { return 0 /* Column.ValueKind.Present */; },
47
47
  toArray: function (params) { return db_1.ColumnHelpers.createAndFillArray(rowCount, value, params); },
48
48
  areValuesEqual: function (rowA, rowB) { return value(rowA) === value(rowB); }
49
49
  };
@@ -29,7 +29,7 @@ function TokenColumn(tokens, schema) {
29
29
  isDefined: true,
30
30
  rowCount: rowCount,
31
31
  value: value,
32
- valueKind: function (row) { return 0 /* Present */; },
32
+ valueKind: function (row) { return 0 /* Column.ValueKind.Present */; },
33
33
  toArray: function (params) { return db_1.ColumnHelpers.createAndFillArray(rowCount, value, params); },
34
34
  areValuesEqual: areValuesEqualProvider(tokens)
35
35
  };
@@ -111,7 +111,7 @@ function getNumberTypeScientific(str, start, end) {
111
111
  // handle + in '1e+1' separately.
112
112
  if (str.charCodeAt(start) === 43 /* + */)
113
113
  start++;
114
- return isInt(str, start, end) ? 2 /* Scientific */ : 3 /* NaN */;
114
+ return isInt(str, start, end) ? 2 /* NumberType.Scientific */ : 3 /* NumberType.NaN */;
115
115
  }
116
116
  /** The whole range must match, otherwise returns NaN */
117
117
  function getNumberType(str) {
@@ -122,7 +122,7 @@ function getNumberType(str) {
122
122
  }
123
123
  // string is . or -.
124
124
  if (str.charCodeAt(start) === 46 && end - start === 1) {
125
- return 3 /* NaN */;
125
+ return 3 /* NumberType.NaN */;
126
126
  }
127
127
  while (start < end) {
128
128
  var c = str.charCodeAt(start) - 48;
@@ -142,14 +142,14 @@ function getNumberType(str) {
142
142
  return getNumberTypeScientific(str, start + 1, end);
143
143
  }
144
144
  else {
145
- return 3 /* NaN */;
145
+ return 3 /* NumberType.NaN */;
146
146
  }
147
147
  }
148
- return hasDigit ? 1 /* Float */ : 0 /* Int */;
148
+ return hasDigit ? 1 /* NumberType.Float */ : 0 /* NumberType.Int */;
149
149
  }
150
150
  else if (c === 53 || c === 21) { // 'e'/'E'
151
151
  if (start === 0 || start === 1 && str.charCodeAt(0) === 45) {
152
- return 3 /* NaN */; // string starts with e/E or -e/-E
152
+ return 3 /* NumberType.NaN */; // string starts with e/E or -e/-E
153
153
  }
154
154
  return getNumberTypeScientific(str, start + 1, end);
155
155
  }
@@ -157,6 +157,6 @@ function getNumberType(str) {
157
157
  break;
158
158
  }
159
159
  }
160
- return start === end ? 0 /* Int */ : 3 /* NaN */;
160
+ return start === end ? 0 /* NumberType.Int */ : 3 /* NumberType.NaN */;
161
161
  }
162
162
  exports.getNumberType = getNumberType;
@@ -18,7 +18,7 @@ function State(data, runtimeCtx, opts) {
18
18
  return {
19
19
  data: data,
20
20
  tokenizer: tokenizer,
21
- tokenType: 2 /* End */,
21
+ tokenType: 2 /* CsvTokenType.End */,
22
22
  runtimeCtx: runtimeCtx,
23
23
  tokens: [],
24
24
  fieldCount: 0,
@@ -137,7 +137,7 @@ function moveNextInternal(state) {
137
137
  var tokenizer = state.tokenizer;
138
138
  skipWhitespace(tokenizer);
139
139
  if (tokenizer.position >= tokenizer.length) {
140
- state.tokenType = 2 /* End */;
140
+ state.tokenType = 2 /* CsvTokenType.End */;
141
141
  return false;
142
142
  }
143
143
  tokenizer.tokenStart = tokenizer.position;
@@ -145,14 +145,14 @@ function moveNextInternal(state) {
145
145
  var c = state.data.charCodeAt(tokenizer.position);
146
146
  switch (c) {
147
147
  case state.commentCharCode:
148
- state.tokenType = 1 /* Comment */;
148
+ state.tokenType = 1 /* CsvTokenType.Comment */;
149
149
  skipLine(tokenizer);
150
150
  break;
151
151
  case state.quoteCharCode:
152
- state.tokenType = 0 /* Value */;
152
+ state.tokenType = 0 /* CsvTokenType.Value */;
153
153
  return eatQuoted(tokenizer, state.quoteCharCode, state.delimiterCharCode);
154
154
  default:
155
- state.tokenType = 0 /* Value */;
155
+ state.tokenType = 0 /* CsvTokenType.Value */;
156
156
  return eatValue(tokenizer, state.delimiterCharCode);
157
157
  }
158
158
  }
@@ -162,18 +162,18 @@ function moveNextInternal(state) {
162
162
  */
163
163
  function moveNext(state) {
164
164
  var newRecord = moveNextInternal(state);
165
- while (state.tokenType === 1 /* Comment */) {
165
+ while (state.tokenType === 1 /* CsvTokenType.Comment */) {
166
166
  newRecord = moveNextInternal(state);
167
167
  }
168
168
  return newRecord;
169
169
  }
170
170
  function readRecordsChunk(chunkSize, state) {
171
- if (state.tokenType === 2 /* End */)
171
+ if (state.tokenType === 2 /* CsvTokenType.End */)
172
172
  return 0;
173
173
  var counter = 0;
174
174
  var newRecord;
175
175
  var tokens = state.tokens, tokenizer = state.tokenizer;
176
- while (state.tokenType === 0 /* Value */ && counter < chunkSize) {
176
+ while (state.tokenType === 0 /* CsvTokenType.Value */ && counter < chunkSize) {
177
177
  tokenizer_1.TokenBuilder.add(tokens[state.fieldCount % state.columnCount], tokenizer.tokenStart, tokenizer.tokenEnd);
178
178
  ++state.fieldCount;
179
179
  newRecord = moveNext(state);
@@ -94,14 +94,14 @@ function getArrayCtor(field, format) {
94
94
  return format.typedArray;
95
95
  if (field.defaultFormat && field.defaultFormat.typedArray)
96
96
  return field.defaultFormat.typedArray;
97
- if (field.type === 0 /* Str */)
97
+ if (field.type === 0 /* Field.Type.Str */)
98
98
  return Array;
99
- if (field.type === 1 /* Int */)
99
+ if (field.type === 1 /* Field.Type.Int */)
100
100
  return Int32Array;
101
101
  return Float64Array;
102
102
  }
103
103
  function getDefaultEncoder(type) {
104
- if (type === 0 /* Str */)
104
+ if (type === 0 /* Field.Type.Str */)
105
105
  return binary_cif_1.ArrayEncoder.by(binary_cif_1.ArrayEncoding.stringArray);
106
106
  return binary_cif_1.ArrayEncoder.by(binary_cif_1.ArrayEncoding.byteArray);
107
107
  }
@@ -120,9 +120,9 @@ function tryGetEncoder(categoryName, field, format, provider) {
120
120
  }
121
121
  }
122
122
  function classify(type, data) {
123
- if (type === 0 /* Str */)
123
+ if (type === 0 /* Field.Type.Str */)
124
124
  return binary_cif_1.ArrayEncoder.by(binary_cif_1.ArrayEncoding.stringArray);
125
- if (type === 1 /* Int */)
125
+ if (type === 1 /* Field.Type.Int */)
126
126
  return (0, classifier_1.classifyIntArray)(data);
127
127
  return (0, classifier_1.classifyFloatArray)(data);
128
128
  }
@@ -153,7 +153,7 @@ function encodeField(categoryName, field, data, totalCount, format, encoderProvi
153
153
  };
154
154
  }
155
155
  function getFieldData(field, arrayCtor, totalCount, data) {
156
- var isStr = field.type === 0 /* Str */;
156
+ var isStr = field.type === 0 /* Field.Type.Str */;
157
157
  var array = new arrayCtor(totalCount);
158
158
  var mask = new Uint8Array(totalCount);
159
159
  var valueKind = field.valueKind;
@@ -165,8 +165,8 @@ function getFieldData(field, arrayCtor, totalCount, data) {
165
165
  var keys = data[_d].keys();
166
166
  while (keys.hasNext) {
167
167
  var key = keys.move();
168
- var p = valueKind ? valueKind(key, d) : 0 /* Present */;
169
- if (p !== 0 /* Present */) {
168
+ var p = valueKind ? valueKind(key, d) : 0 /* Column.ValueKind.Present */;
169
+ if (p !== 0 /* Column.ValueKind.Present */) {
170
170
  mask[offset] = p;
171
171
  if (isStr)
172
172
  array[offset] = '';
@@ -175,11 +175,11 @@ function getFieldData(field, arrayCtor, totalCount, data) {
175
175
  else {
176
176
  var value = getter(key, d, offset);
177
177
  if (typeof value === 'string' && !value) {
178
- mask[offset] = 1 /* NotPresent */;
178
+ mask[offset] = 1 /* Column.ValueKind.NotPresent */;
179
179
  allPresent = false;
180
180
  }
181
181
  else {
182
- mask[offset] = 0 /* Present */;
182
+ mask[offset] = 0 /* Column.ValueKind.Present */;
183
183
  }
184
184
  array[offset] = value;
185
185
  }
@@ -73,9 +73,9 @@ var TextEncoder = /** @class */ (function () {
73
73
  exports.TextEncoder = TextEncoder;
74
74
  function writeValue(builder, data, key, f, floatPrecision, index) {
75
75
  var kind = f.valueKind;
76
- var p = kind ? kind(key, data) : 0 /* Present */;
77
- if (p !== 0 /* Present */) {
78
- if (p === 1 /* NotPresent */)
76
+ var p = kind ? kind(key, data) : 0 /* Column.ValueKind.Present */;
77
+ if (p !== 0 /* Column.ValueKind.Present */) {
78
+ if (p === 1 /* Column.ValueKind.NotPresent */)
79
79
  writeNotPresent(builder);
80
80
  else
81
81
  writeUnknown(builder);
@@ -83,7 +83,7 @@ function writeValue(builder, data, key, f, floatPrecision, index) {
83
83
  else {
84
84
  var val = f.value(key, data, index);
85
85
  var t = f.type;
86
- if (t === 0 /* Str */) {
86
+ if (t === 0 /* Field.Type.Str */) {
87
87
  if (isMultiline(val)) {
88
88
  writeMultiline(builder, val);
89
89
  return true;
@@ -92,7 +92,7 @@ function writeValue(builder, data, key, f, floatPrecision, index) {
92
92
  return writeChecked(builder, val);
93
93
  }
94
94
  }
95
- else if (t === 1 /* Int */) {
95
+ else if (t === 1 /* Field.Type.Int */) {
96
96
  writeInteger(builder, val);
97
97
  }
98
98
  else {
@@ -107,9 +107,9 @@ function getFloatPrecisions(categoryName, fields, formatter) {
107
107
  var f = fields_1[_a];
108
108
  var format = formatter.getFormat(categoryName, f.name);
109
109
  if (format && typeof format.digitCount !== 'undefined')
110
- ret[ret.length] = f.type === 2 /* Float */ ? Math.pow(10, Math.max(0, Math.min(format.digitCount, 15))) : 0;
110
+ ret[ret.length] = f.type === 2 /* Field.Type.Float */ ? Math.pow(10, Math.max(0, Math.min(format.digitCount, 15))) : 0;
111
111
  else
112
- ret[ret.length] = f.type === 2 /* Float */ ? Math.pow(10, (0, util_1.getFieldDigitCount)(f)) : 0;
112
+ ret[ret.length] = f.type === 2 /* Field.Type.Float */ ? Math.pow(10, (0, util_1.getFieldDigitCount)(f)) : 0;
113
113
  }
114
114
  return ret;
115
115
  }
@@ -14,13 +14,13 @@ var type_helpers_1 = require("../../../mol-util/type-helpers");
14
14
  var Field;
15
15
  (function (Field) {
16
16
  function str(name, value, params) {
17
- 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 };
17
+ 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 };
18
18
  }
19
19
  Field.str = str;
20
20
  function int(name, value, params) {
21
21
  return {
22
22
  name: name,
23
- type: 1 /* Int */,
23
+ type: 1 /* Type.Int */,
24
24
  value: value,
25
25
  valueKind: params && params.valueKind,
26
26
  defaultFormat: params ? { encoder: params.encoder, typedArray: params.typedArray } : void 0,
@@ -31,7 +31,7 @@ var Field;
31
31
  function float(name, value, params) {
32
32
  return {
33
33
  name: name,
34
- type: 2 /* Float */,
34
+ type: 2 /* Type.Float */,
35
35
  value: value,
36
36
  valueKind: params && params.valueKind,
37
37
  defaultFormat: params ? { encoder: params.encoder, typedArray: params.typedArray, digitCount: typeof params.digitCount !== 'undefined' ? params.digitCount : void 0 } : void 0,
@@ -208,7 +208,7 @@ function columnValueKind(k) {
208
208
  }
209
209
  function getTensorDefinitions(field, space) {
210
210
  var fieldDefinitions = [];
211
- var type = 2 /* Float */;
211
+ var type = 2 /* Field.Type.Float */;
212
212
  var valueKind = columnValueKind(field);
213
213
  if (space.rank === 1) {
214
214
  var rows = space.dimensions[0];
@@ -248,16 +248,16 @@ function cifFieldsFromTableSchema(schema) {
248
248
  var k = _a[_i];
249
249
  var t = schema[k];
250
250
  if (t.valueType === 'int') {
251
- fields.push({ name: k, type: 1 /* Int */, value: columnValue(k), valueKind: columnValueKind(k) });
251
+ fields.push({ name: k, type: 1 /* Field.Type.Int */, value: columnValue(k), valueKind: columnValueKind(k) });
252
252
  }
253
253
  else if (t.valueType === 'float') {
254
- fields.push({ name: k, type: 2 /* Float */, value: columnValue(k), valueKind: columnValueKind(k) });
254
+ fields.push({ name: k, type: 2 /* Field.Type.Float */, value: columnValue(k), valueKind: columnValueKind(k) });
255
255
  }
256
256
  else if (t.valueType === 'str') {
257
- fields.push({ name: k, type: 0 /* Str */, value: columnValue(k), valueKind: columnValueKind(k) });
257
+ fields.push({ name: k, type: 0 /* Field.Type.Str */, value: columnValue(k), valueKind: columnValueKind(k) });
258
258
  }
259
259
  else if (t.valueType === 'list') {
260
- fields.push({ name: k, type: 0 /* Str */, value: columnListValue(k), valueKind: columnValueKind(k) });
260
+ fields.push({ name: k, type: 0 /* Field.Type.Str */, value: columnListValue(k), valueKind: columnValueKind(k) });
261
261
  }
262
262
  else if (t.valueType === 'tensor') {
263
263
  fields.push.apply(fields, getTensorDefinitions(k, t.space));
@@ -58,7 +58,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
58
58
  var i2 = atom2.index;
59
59
  if (i1 < i2) {
60
60
  var order = bond.order, flags = bond.flags;
61
- var ar = types_1.BondType.is(16 /* Aromatic */, flags);
61
+ var ar = types_1.BondType.is(16 /* BondType.Flag.Aromatic */, flags);
62
62
  mol_util_1.StringBuilder.writeSafe(b, "".concat(++bondCount, " ").concat(i1 + 1, " ").concat(i2 + 1, " ").concat(ar ? 'ar' : order));
63
63
  mol_util_1.StringBuilder.newline(b);
64
64
  }
@@ -137,7 +137,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
137
137
  return 'C.3'; // 1.6.1, 3rga/ligand?encoding=mol2&auth_seq_id=307 (MOH)
138
138
  if (numBonds === 3 && this.isCat(bonds, bondMap))
139
139
  return 'C.cat'; // 1.6.2, 1acj/ligand?encoding=mol2&auth_seq_id=44 (ARG), 5vjb/ligand?encoding=mol2&auth_seq_id=101 (GAI)
140
- if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return types_1.BondType.is(16 /* Aromatic */, v.flags); }) >= 2)
140
+ if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return types_1.BondType.is(16 /* BondType.Flag.Aromatic */, v.flags); }) >= 2)
141
141
  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)
142
142
  if ((numBonds === 1 || numBonds === 2) && this.count(bonds, this, function (_k, v) { return v.order === 3; }))
143
143
  return 'C.1'; // 1.6.4, 3i04/ligand?encoding=mol2&auth_asym_id=C&auth_seq_id=900 (CYN)
@@ -160,7 +160,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
160
160
  if (type_symbol1 === 'N') { // 1.8
161
161
  if (numNonmets === 4 && this.count(nonmets, this, function (_k, v) { return v.order === 1; }) === 4)
162
162
  return 'N.4'; // 1.8.1, 4ikf/ligand?encoding=mol2&auth_seq_id=403 (NH4)
163
- if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return types_1.BondType.is(16 /* Aromatic */, v.flags); }) >= 2)
163
+ if (numBonds >= 2 && this.count(bonds, this, function (_k, v) { return types_1.BondType.is(16 /* BondType.Flag.Aromatic */, v.flags); }) >= 2)
164
164
  return 'N.ar'; // 1.8.2, 1acj/ligand?encoding=mol2&auth_seq_id=84 (TRP), 1acj/ligand?encoding=mol2&auth_seq_id=999 (THA)
165
165
  if (numNonmets === 1 && this.count(nonmets, this, function (_k, v) { return v.order === 3; }))
166
166
  return 'N.1'; // 1.8.3, 3i04/ligand?encoding=mol2&auth_asym_id=C&auth_seq_id=900 (CYN)
@@ -201,7 +201,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
201
201
  while (!result.done) {
202
202
  var label_atom_id = result.value;
203
203
  var adjacentBonds = bondMap.map.get(label_atom_id);
204
- if (this.count(adjacentBonds, this, function (_k, v) { return v.order > 1 || types_1.BondType.is(16 /* Aromatic */, v.flags); })) {
204
+ if (this.count(adjacentBonds, this, function (_k, v) { return v.order > 1 || types_1.BondType.is(16 /* BondType.Flag.Aromatic */, v.flags); })) {
205
205
  // TODO check accurately for 2nd criterion with coordinates
206
206
  return true;
207
207
  }
@@ -19,6 +19,7 @@ var render_item_1 = require("../../../mol-gl/webgl/render-item");
19
19
  var schema_1 = require("../../../mol-gl/renderable/schema");
20
20
  var gaussian_density_vert_1 = require("../../../mol-gl/shader/gaussian-density.vert");
21
21
  var gaussian_density_frag_1 = require("../../../mol-gl/shader/gaussian-density.frag");
22
+ var debug_1 = require("../../../mol-util/debug");
22
23
  var GaussianDensitySchema = {
23
24
  drawCount: (0, schema_1.ValueSpec)('number'),
24
25
  instanceCount: (0, schema_1.ValueSpec)('number'),
@@ -73,11 +74,21 @@ function GaussianDensityTexture(webgl, position, box, radius, props, oldTexture)
73
74
  }
74
75
  exports.GaussianDensityTexture = GaussianDensityTexture;
75
76
  function GaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, props, oldTexture) {
76
- return finalizeGaussianDensityTexture(calcGaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, props, oldTexture));
77
+ if (debug_1.isTimingMode)
78
+ webgl.timer.mark('GaussianDensityTexture2d');
79
+ var data = calcGaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, props, oldTexture);
80
+ if (debug_1.isTimingMode)
81
+ webgl.timer.markEnd('GaussianDensityTexture2d');
82
+ return finalizeGaussianDensityTexture(data);
77
83
  }
78
84
  exports.GaussianDensityTexture2d = GaussianDensityTexture2d;
79
85
  function GaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture) {
80
- return finalizeGaussianDensityTexture(calcGaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture));
86
+ if (debug_1.isTimingMode)
87
+ webgl.timer.mark('GaussianDensityTexture3d');
88
+ var data = calcGaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture);
89
+ if (debug_1.isTimingMode)
90
+ webgl.timer.markEnd('GaussianDensityTexture3d');
91
+ return finalizeGaussianDensityTexture(data);
81
92
  }
82
93
  exports.GaussianDensityTexture3d = GaussianDensityTexture3d;
83
94
  function finalizeGaussianDensityTexture(_a) {
@@ -83,11 +83,11 @@ var AlignSequences;
83
83
  exports.AlignSequences = AlignSequences;
84
84
  function entityKey(unit) {
85
85
  switch (unit.kind) {
86
- case 0 /* Atomic */:
86
+ case 0 /* Unit.Kind.Atomic */:
87
87
  return unit.model.atomicHierarchy.index.getEntityFromChain(unit.chainIndex[unit.elements[0]]);
88
- case 1 /* Spheres */:
88
+ case 1 /* Unit.Kind.Spheres */:
89
89
  return unit.model.coarseHierarchy.spheres.entityKey[unit.elements[0]];
90
- case 2 /* Gaussians */:
90
+ case 2 /* Unit.Kind.Gaussians */:
91
91
  return unit.model.coarseHierarchy.gaussians.entityKey[unit.elements[0]];
92
92
  }
93
93
  }