molstar 3.0.0 → 3.0.1

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 (1790) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +194 -194
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -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.js +6 -3
  8. package/lib/apps/viewer/embedded.html +43 -43
  9. package/lib/apps/viewer/index.html +106 -106
  10. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  11. package/lib/commonjs/apps/viewer/app.d.ts +3 -3
  12. package/lib/commonjs/apps/viewer/app.js +8 -5
  13. package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
  14. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
  15. package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
  16. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  17. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
  18. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -2
  19. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +5 -5
  20. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +2 -2
  21. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
  22. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  23. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -5
  24. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
  25. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -1
  26. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
  27. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +1 -1
  28. package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +1 -1
  29. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  30. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  31. package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +2 -2
  32. package/lib/commonjs/mol-geo/geometry/base.d.ts +5 -5
  33. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +3 -3
  34. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -1
  35. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
  36. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -2
  37. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
  38. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +4 -4
  39. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
  40. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
  41. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
  42. package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
  43. package/lib/commonjs/mol-gl/renderer.js +3 -3
  44. package/lib/commonjs/mol-gl/scene.d.ts +1 -1
  45. package/lib/commonjs/mol-model/loci.d.ts +20 -20
  46. package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
  47. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
  48. package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
  49. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +2 -2
  50. package/lib/commonjs/mol-model/structure/structure/unit.d.ts +4 -4
  51. package/lib/commonjs/mol-model/volume/volume.d.ts +7 -0
  52. package/lib/commonjs/mol-model/volume/volume.js +18 -0
  53. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +6 -6
  54. package/lib/commonjs/mol-model-props/computed/interactions/common.d.ts +1 -1
  55. package/lib/commonjs/mol-model-props/computed/interactions/common.js +16 -24
  56. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +2 -2
  57. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
  58. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -1
  59. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
  60. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -3
  61. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -4
  62. package/lib/commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts +2 -2
  63. package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +1 -1
  64. package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +2 -2
  65. package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +1 -1
  66. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +4 -4
  67. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  68. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +4 -4
  69. package/lib/commonjs/mol-plugin/commands.d.ts +2 -2
  70. package/lib/commonjs/mol-plugin/config.d.ts +1 -1
  71. package/lib/commonjs/mol-plugin/layout.d.ts +4 -4
  72. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -3
  73. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -1
  74. package/lib/commonjs/mol-plugin-state/actions/volume.d.ts +1 -1
  75. package/lib/commonjs/mol-plugin-state/actions/volume.js +3 -3
  76. package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
  77. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +11 -11
  78. package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +6 -6
  79. package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +35 -13
  80. package/lib/commonjs/mol-plugin-state/builder/structure/representation.d.ts +1 -1
  81. package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +10 -10
  82. package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -11
  83. package/lib/commonjs/mol-plugin-state/helpers/root-structure.d.ts +5 -5
  84. package/lib/commonjs/mol-plugin-state/helpers/structure-component.d.ts +2 -2
  85. package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +1 -1
  86. package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +1 -1
  87. package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +1 -1
  88. package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +7 -7
  89. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +13 -13
  90. package/lib/commonjs/mol-plugin-ui/structure/measurements.d.ts +1 -1
  91. package/lib/commonjs/mol-plugin-ui/structure/selection.d.ts +1 -1
  92. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +2 -2
  93. package/lib/commonjs/mol-repr/shape/loci/common.d.ts +2 -2
  94. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +2 -2
  95. package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +2 -2
  96. package/lib/commonjs/mol-repr/shape/loci/label.d.ts +2 -2
  97. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +2 -2
  98. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -1
  99. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -1
  100. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +7 -7
  101. package/lib/commonjs/mol-repr/structure/params.d.ts +10 -10
  102. package/lib/commonjs/mol-repr/structure/registry.d.ts +25 -25
  103. package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -3
  104. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +6 -6
  105. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -3
  106. package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -3
  107. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +6 -6
  108. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +9 -9
  109. package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +3 -3
  110. package/lib/commonjs/mol-repr/structure/representation/label.d.ts +9 -9
  111. package/lib/commonjs/mol-repr/structure/representation/line.d.ts +9 -9
  112. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +9 -9
  113. package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -3
  114. package/lib/commonjs/mol-repr/structure/representation/point.d.ts +6 -6
  115. package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -3
  116. package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -3
  117. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +10 -10
  118. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +4 -4
  119. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +2 -2
  120. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +4 -4
  121. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +2 -2
  122. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -1
  123. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -1
  124. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -1
  125. package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +1 -1
  126. package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +2 -2
  127. package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -2
  128. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -1
  129. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -2
  130. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +12 -12
  131. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  132. package/lib/commonjs/mol-repr/structure/visual/label-text.d.ts +3 -3
  133. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +3 -3
  134. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  135. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -1
  136. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -1
  137. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -1
  138. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -2
  139. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -2
  140. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -1
  141. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -1
  142. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -1
  143. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -1
  144. package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +7 -7
  145. package/lib/commonjs/mol-repr/structure/visual/util/bond.js +5 -4
  146. package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -1
  147. package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +6 -6
  148. package/lib/commonjs/mol-repr/volume/isosurface.d.ts +12 -12
  149. package/lib/commonjs/mol-repr/volume/registry.d.ts +8 -8
  150. package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
  151. package/lib/commonjs/mol-repr/volume/slice.d.ts +12 -12
  152. package/lib/commonjs/mol-theme/color/atom-id.d.ts +2 -2
  153. package/lib/commonjs/mol-theme/color/chain-id.d.ts +2 -2
  154. package/lib/commonjs/mol-theme/color/element-index.d.ts +2 -2
  155. package/lib/commonjs/mol-theme/color/element-symbol.d.ts +44 -0
  156. package/lib/commonjs/mol-theme/color/element-symbol.js +15 -10
  157. package/lib/commonjs/mol-theme/color/entity-id.d.ts +2 -2
  158. package/lib/commonjs/mol-theme/color/entity-id.js +14 -11
  159. package/lib/commonjs/mol-theme/color/entity-source.d.ts +2 -2
  160. package/lib/commonjs/mol-theme/color/illustrative.d.ts +36 -36
  161. package/lib/commonjs/mol-theme/color/model-index.d.ts +2 -2
  162. package/lib/commonjs/mol-theme/color/operator-hkl.d.ts +2 -2
  163. package/lib/commonjs/mol-theme/color/operator-name.d.ts +2 -2
  164. package/lib/commonjs/mol-theme/color/polymer-id.d.ts +2 -2
  165. package/lib/commonjs/mol-theme/color/polymer-index.d.ts +2 -2
  166. package/lib/commonjs/mol-theme/color/unit-index.d.ts +2 -2
  167. package/lib/commonjs/mol-theme/color.d.ts +51 -29
  168. package/lib/commonjs/mol-util/clip.d.ts +1 -1
  169. package/lib/commonjs/mol-util/color/palette.d.ts +3 -3
  170. package/lib/examples/alpha-orbitals/index.html +61 -61
  171. package/lib/examples/basic-wrapper/index.html +137 -137
  172. package/lib/examples/lighting/index.html +88 -88
  173. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  174. package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +2 -2
  175. package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
  176. package/lib/mol-canvas3d/passes/draw.d.ts +1 -1
  177. package/lib/mol-canvas3d/passes/draw.js +3 -3
  178. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  179. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  180. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  181. package/lib/mol-gl/renderer.d.ts +2 -2
  182. package/lib/mol-gl/renderer.js +3 -3
  183. package/lib/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
  184. package/lib/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
  185. package/lib/mol-model/volume/volume.d.ts +7 -0
  186. package/lib/mol-model/volume/volume.js +18 -0
  187. package/lib/mol-model-props/computed/interactions/common.d.ts +1 -1
  188. package/lib/mol-model-props/computed/interactions/common.js +16 -24
  189. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -1
  190. package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
  191. package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
  192. package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  193. package/lib/mol-plugin/version.js +2 -2
  194. package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
  195. package/lib/mol-plugin-state/actions/volume.js +3 -3
  196. package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +27 -5
  197. package/lib/mol-plugin-state/formats/volume.js +1 -11
  198. package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
  199. package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
  200. package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
  201. package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
  202. package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
  203. package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
  204. package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
  205. package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
  206. package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
  207. package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
  208. package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
  209. package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
  210. package/lib/mol-plugin-ui/skin/base/components/viewport.scss +127 -127
  211. package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
  212. package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
  213. package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
  214. package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
  215. package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
  216. package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
  217. package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
  218. package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
  219. package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
  220. package/lib/mol-plugin-ui/skin/blue.scss +1 -1
  221. package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
  222. package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
  223. package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
  224. package/lib/mol-plugin-ui/skin/dark.scss +1 -1
  225. package/lib/mol-plugin-ui/skin/light.scss +1 -1
  226. package/lib/mol-repr/structure/visual/util/bond.d.ts +1 -1
  227. package/lib/mol-repr/structure/visual/util/bond.js +5 -4
  228. package/lib/mol-script/language/builder.d.ts +1 -0
  229. package/lib/mol-theme/color/element-symbol.d.ts +46 -2
  230. package/lib/mol-theme/color/element-symbol.js +15 -10
  231. package/lib/mol-theme/color/entity-id.js +14 -11
  232. package/lib/mol-theme/color/illustrative.d.ts +32 -32
  233. package/lib/mol-theme/color.d.ts +39 -17
  234. package/lib/servers/volume/config.js +3 -3
  235. package/lib/servers/volume/query.js +1 -1
  236. package/package.json +160 -163
  237. package/lib/commonjs/apps/docking-viewer/index.js +0 -253
  238. package/lib/commonjs/apps/docking-viewer/viewport.js +0 -326
  239. package/lib/commonjs/cli/chem-comp-dict/create-ions.d.ts +0 -7
  240. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +0 -68
  241. package/lib/commonjs/cli/chem-comp-dict/create-table.d.ts +0 -7
  242. package/lib/commonjs/cli/chem-comp-dict/create-table.js +0 -282
  243. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +0 -146
  244. package/lib/commonjs/cli/chem-comp-dict/util.js +0 -144
  245. package/lib/commonjs/cli/cif2bcif/converter.d.ts +0 -8
  246. package/lib/commonjs/cli/cif2bcif/converter.js +0 -187
  247. package/lib/commonjs/cli/cif2bcif/index.d.ts +0 -8
  248. package/lib/commonjs/cli/cif2bcif/index.js +0 -81
  249. package/lib/commonjs/cli/cifschema/index.d.ts +0 -7
  250. package/lib/commonjs/cli/cifschema/index.js +0 -397
  251. package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +0 -11
  252. package/lib/commonjs/cli/cifschema/util/cif-dic.js +0 -456
  253. package/lib/commonjs/cli/cifschema/util/generate.d.ts +0 -7
  254. package/lib/commonjs/cli/cifschema/util/generate.js +0 -158
  255. package/lib/commonjs/cli/cifschema/util/helper.d.ts +0 -10
  256. package/lib/commonjs/cli/cifschema/util/helper.js +0 -22
  257. package/lib/commonjs/cli/cifschema/util/schema.d.ts +0 -70
  258. package/lib/commonjs/cli/cifschema/util/schema.js +0 -64
  259. package/lib/commonjs/cli/lipid-params/index.d.ts +0 -7
  260. package/lib/commonjs/cli/lipid-params/index.js +0 -104
  261. package/lib/commonjs/cli/state-docs/index.js +0 -64
  262. package/lib/commonjs/cli/state-docs/pd-to-md.js +0 -80
  263. package/lib/commonjs/cli/structure-info/helpers.d.ts +0 -7
  264. package/lib/commonjs/cli/structure-info/helpers.js +0 -92
  265. package/lib/commonjs/cli/structure-info/model.js +0 -336
  266. package/lib/commonjs/cli/structure-info/volume.js +0 -115
  267. package/lib/commonjs/examples/alpha-orbitals/controls.js +0 -25
  268. package/lib/commonjs/examples/alpha-orbitals/example-data.js +0 -60260
  269. package/lib/commonjs/examples/alpha-orbitals/index.js +0 -230
  270. package/lib/commonjs/examples/basic-wrapper/coloring.js +0 -31
  271. package/lib/commonjs/examples/basic-wrapper/controls.js +0 -23
  272. package/lib/commonjs/examples/basic-wrapper/custom-theme.js +0 -49
  273. package/lib/commonjs/examples/basic-wrapper/index.js +0 -265
  274. package/lib/commonjs/examples/basic-wrapper/superposition.js +0 -191
  275. package/lib/commonjs/examples/domain-annotation-server/mapping.d.ts +0 -6
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@@ -1,281 +0,0 @@
1
- "use strict";
2
- /**
3
- * Copyright (c) 2018-2019 Mol* contributors, licensed under MIT, See LICENSE file for more info.
4
- *
5
- * @author David Sehnal <david.sehnal@gmail.com>
6
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
7
- */
8
- Object.defineProperty(exports, "__esModule", { value: true });
9
- exports.structureQuery = exports.Types = void 0;
10
- var tslib_1 = require("tslib");
11
- var type_1 = require("../type");
12
- var Core = (0, tslib_1.__importStar)(require("./core"));
13
- var symbol_1 = require("../symbol");
14
- var helpers_1 = require("../helpers");
15
- var Types;
16
- (function (Types) {
17
- Types.ElementSymbol = type_1.Type.Value('Structure', 'ElementSymbol');
18
- Types.AtomName = type_1.Type.Value('Structure', 'AtomName');
19
- Types.BondFlag = type_1.Type.OneOf('Structure', 'BondFlag', type_1.Type.Str, ['covalent', 'metallic', 'ion', 'hydrogen', 'sulfide', 'computed', 'aromatic']);
20
- Types.BondFlags = Core.Types.Flags(Types.BondFlag, 'BondFlags');
21
- Types.SecondaryStructureFlag = type_1.Type.OneOf('Structure', 'SecondaryStructureFlag', type_1.Type.Str, ['alpha', 'beta', '3-10', 'pi', 'sheet', 'strand', 'helix', 'turn', 'none']);
22
- Types.SecondaryStructureFlags = Core.Types.Flags(Types.SecondaryStructureFlag, 'SecondaryStructureFlag');
23
- Types.RingFingerprint = type_1.Type.Value('Structure', 'RingFingerprint');
24
- Types.EntityType = type_1.Type.OneOf('Structure', 'EntityType', type_1.Type.Str, ['polymer', 'non-polymer', 'water', 'branched']);
25
- Types.EntitySubtype = type_1.Type.OneOf('Structure', 'EntitySubtype', type_1.Type.Str, ['other', 'polypeptide(D)', 'polypeptide(L)', 'polydeoxyribonucleotide', 'polyribonucleotide', 'polydeoxyribonucleotide/polyribonucleotide hybrid', 'cyclic-pseudo-peptide', 'peptide nucleic acid', 'oligosaccharide']);
26
- Types.ObjectPrimitive = type_1.Type.OneOf('Structure', 'ObjectPrimitive', type_1.Type.Str, ['atomistic', 'sphere', 'gaussian', 'other']);
27
- Types.ResidueId = type_1.Type.Value('Structure', 'ResidueId');
28
- Types.ElementSet = type_1.Type.Value('Structure', 'ElementSet');
29
- Types.ElementSelection = type_1.Type.Value('Structure', 'ElementSelection');
30
- Types.ElementReference = type_1.Type.Value('Structure', 'ElementReference');
31
- Types.ElementSelectionQuery = Core.Types.Fn(Types.ElementSelection, 'ElementSelectionQuery');
32
- })(Types = exports.Types || (exports.Types = {}));
33
- var type = {
34
- '@header': 'Types',
35
- elementSymbol: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({ 0: (0, symbol_1.Argument)(type_1.Type.Str) }), Types.ElementSymbol, 'Create element symbol representation from a string value.'),
36
- atomName: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({ 0: (0, symbol_1.Argument)(type_1.Type.AnyValue) }), Types.AtomName, 'Convert a value to an atom name.'),
37
- entityType: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({ 0: (0, symbol_1.Argument)(Types.EntityType) }), Types.EntityType, "Create normalized representation of entity type: ".concat(type_1.Type.oneOfValues(Types.EntityType).join(', '), ".")),
38
- bondFlags: (0, helpers_1.symbol)(symbol_1.Arguments.List(Types.BondFlag), Types.BondFlags, "Create bond flags representation from a list of strings. Allowed flags: ".concat(type_1.Type.oneOfValues(Types.BondFlag).join(', '), ".")),
39
- ringFingerprint: (0, helpers_1.symbol)(symbol_1.Arguments.List(Types.ElementSymbol, { nonEmpty: true }), Types.RingFingerprint, 'Create ring fingerprint from the supplied atom element list.'),
40
- secondaryStructureFlags: (0, helpers_1.symbol)(symbol_1.Arguments.List(Types.SecondaryStructureFlag), Types.SecondaryStructureFlags, "Create secondary structure flags representation from a list of strings. Allowed flags: ".concat(type_1.Type.oneOfValues(Types.SecondaryStructureFlag).join(', '), ".")),
41
- authResidueId: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
42
- 0: (0, symbol_1.Argument)(type_1.Type.Str, { description: 'auth_asym_id' }),
43
- 1: (0, symbol_1.Argument)(type_1.Type.Num, { description: 'auth_seq_id' }),
44
- 2: (0, symbol_1.Argument)(type_1.Type.Str, { description: 'pdbx_PDB_ins_code', isOptional: true })
45
- }), Types.ResidueId, "Residue identifier based on \"auth_\" annotation."),
46
- labelResidueId: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
47
- 0: (0, symbol_1.Argument)(type_1.Type.Str, { description: 'label_entity_id' }),
48
- 1: (0, symbol_1.Argument)(type_1.Type.Str, { description: 'label_asym_id' }),
49
- 2: (0, symbol_1.Argument)(type_1.Type.Num, { description: 'label_seq_id' }),
50
- 3: (0, symbol_1.Argument)(type_1.Type.Str, { description: 'pdbx_PDB_ins_code', isOptional: true })
51
- }), Types.ResidueId, "Residue identifier based on mmCIF's \"label_\" annotation.")
52
- };
53
- var slot = {
54
- '@header': 'Iteration Slots',
55
- element: (0, helpers_1.symbol)(symbol_1.Arguments.None, Types.ElementReference, 'A reference to the current element.'),
56
- elementSetReduce: (0, helpers_1.symbol)(symbol_1.Arguments.None, type_1.Type.Variable('a', type_1.Type.AnyValue, true), 'Current value of the element set reducer.')
57
- };
58
- var generator = {
59
- '@header': 'Generators',
60
- all: (0, helpers_1.symbol)(symbol_1.Arguments.None, Types.ElementSelectionQuery, 'The entire structure.'),
61
- atomGroups: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
62
- 'entity-test': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: true, description: 'Test for the 1st atom of every entity' }),
63
- 'chain-test': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: true, description: 'Test for the 1st atom of every chain' }),
64
- 'residue-test': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: true, description: 'Test for the 1st atom every residue' }),
65
- 'atom-test': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: true }),
66
- 'group-by': (0, symbol_1.Argument)(type_1.Type.Any, { isOptional: true, defaultValue: "atom-key", description: 'Group atoms to sets based on this property. Default: each atom has its own set' }),
67
- }), Types.ElementSelectionQuery, 'Return all atoms for which the tests are satisfied, grouped into sets.'),
68
- bondedAtomicPairs: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
69
- 0: (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: 'true for covalent bonds', description: 'Test each bond with this predicate. Each bond is visited twice with swapped atom order.' }),
70
- // TODO: shoud we support this or just use queryEach to get similar behavior
71
- // 'group-by': Argument(Type.Any, { isOptional: true, defaultValue: ``, description: 'Group the bonds using the privided value' }),
72
- }), Types.ElementSelectionQuery, 'Return all pairs of atoms for which the test is satisfied.'),
73
- rings: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
74
- 'fingerprint': (0, symbol_1.Argument)(Types.RingFingerprint, { isOptional: true }),
75
- 'only-aromatic': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: false }),
76
- }), Types.ElementSelectionQuery, 'Return all rings or those with the specified fingerprint and/or only aromatic rings.'),
77
- queryInSelection: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
78
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
79
- query: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
80
- 'in-complement': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: false })
81
- }), Types.ElementSelectionQuery, 'Executes query only on atoms that are in the source selection.'),
82
- empty: (0, helpers_1.symbol)(symbol_1.Arguments.None, Types.ElementSelectionQuery, 'Nada.'),
83
- };
84
- var modifier = {
85
- '@header': 'Selection Modifications',
86
- queryEach: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
87
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
88
- query: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
89
- }), Types.ElementSelectionQuery, 'Query every atom set in the input selection separately.'),
90
- intersectBy: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
91
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
92
- by: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
93
- }), Types.ElementSelectionQuery, 'Intersect each atom set from the first sequence from atoms in the second one.'),
94
- exceptBy: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
95
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
96
- by: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
97
- }), Types.ElementSelectionQuery, "Remove all atoms from 'selection' that occur in 'by'."),
98
- unionBy: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
99
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
100
- by: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
101
- }), Types.ElementSelectionQuery, 'For each atom set A in the orginal sequence, combine all atoms sets in the target selection that intersect with A.'),
102
- union: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
103
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
104
- }), Types.ElementSelectionQuery, 'Collects all atom sets in the sequence into a single atom set.'),
105
- cluster: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
106
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
107
- 'min-distance': (0, symbol_1.Argument)(type_1.Type.Num, { isOptional: true, defaultValue: 0 }),
108
- 'max-distance': (0, symbol_1.Argument)(type_1.Type.Num),
109
- 'min-size': (0, symbol_1.Argument)(type_1.Type.Num, { description: 'Minimal number of sets to merge, must be at least 2', isOptional: true, defaultValue: 2 }),
110
- 'max-size': (0, symbol_1.Argument)(type_1.Type.Num, { description: 'Maximal number of sets to merge, if not set, no limit', isOptional: true }),
111
- }), Types.ElementSelectionQuery, 'Combines atom sets that have mutual distance in the interval [min-radius, max-radius]. Minimum/maximum size determines how many atom sets can be combined.'),
112
- includeSurroundings: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
113
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
114
- radius: (0, symbol_1.Argument)(type_1.Type.Num),
115
- 'atom-radius': (0, symbol_1.Argument)(type_1.Type.Num, { isOptional: true, defaultValue: 0, description: 'Value added to each atom before the distance check, for example VDW radius. Using this argument is computationally demanding.' }),
116
- 'as-whole-residues': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true })
117
- }), Types.ElementSelectionQuery, 'For each atom set in the selection, include all surrouding atoms/residues that are within the specified radius.'),
118
- surroundingLigands: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
119
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
120
- radius: (0, symbol_1.Argument)(type_1.Type.Num),
121
- 'include-water': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: true })
122
- }), Types.ElementSelectionQuery, 'Find all ligands components around the source query.'),
123
- includeConnected: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
124
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
125
- 'bond-test': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: 'true for covalent bonds' }),
126
- 'layer-count': (0, symbol_1.Argument)(type_1.Type.Num, { isOptional: true, defaultValue: 1, description: 'Number of bonded layers to include.' }),
127
- 'fixed-point': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: false, description: 'Continue adding layers as long as new connections exist.' }),
128
- 'as-whole-residues': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true })
129
- }), Types.ElementSelectionQuery, 'Pick all atom sets that are connected to the target.'),
130
- wholeResidues: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
131
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
132
- }), Types.ElementSelectionQuery, 'Expand the selection to whole residues.'),
133
- expandProperty: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
134
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
135
- property: (0, symbol_1.Argument)(type_1.Type.AnyValue)
136
- }), Types.ElementSelectionQuery, 'To each atom set in the selection, add all atoms that have the same property value that was already present in the set.')
137
- };
138
- var filter = {
139
- '@header': 'Selection Filters',
140
- pick: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
141
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
142
- test: (0, symbol_1.Argument)(type_1.Type.Bool)
143
- }), Types.ElementSelectionQuery, 'Pick all atom sets that satisfy the test.'),
144
- first: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
145
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
146
- }), Types.ElementSelectionQuery, 'Take the 1st atom set in the sequence.'),
147
- withSameAtomProperties: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
148
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
149
- source: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
150
- property: (0, symbol_1.Argument)(type_1.Type.Any)
151
- }), Types.ElementSelectionQuery, 'Pick all atom sets for which the set of given atom properties is a subset of the source properties.'),
152
- intersectedBy: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
153
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
154
- by: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
155
- }), Types.ElementSelectionQuery, 'Pick all atom sets that have non-zero intersection with the target.'),
156
- within: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
157
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
158
- target: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
159
- 'min-radius': (0, symbol_1.Argument)(type_1.Type.Num, { isOptional: true, defaultValue: 0 }),
160
- 'max-radius': (0, symbol_1.Argument)(type_1.Type.Num),
161
- 'atom-radius': (0, symbol_1.Argument)(type_1.Type.Num, { isOptional: true, defaultValue: 0, description: 'Value added to each atom before the distance check, for example VDW radius. Using this argument is computationally demanding.' }),
162
- invert: (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: false, description: 'If true, pick only atom sets that are further than the specified radius.' }),
163
- }), Types.ElementSelectionQuery, 'Pick all atom sets from selection that have any atom within the radius of any atom from target.'),
164
- isConnectedTo: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
165
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
166
- target: (0, symbol_1.Argument)(Types.ElementSelectionQuery),
167
- 'bond-test': (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: 'true for covalent bonds' }),
168
- disjunct: (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: true, description: 'If true, there must exist a bond to an atom that lies outside the given atom set to pass test.' }),
169
- invert: (0, symbol_1.Argument)(type_1.Type.Bool, { isOptional: true, defaultValue: false, description: 'If true, return atom sets that are not connected.' })
170
- }), Types.ElementSelectionQuery, 'Pick all atom sets that are connected to the target.'),
171
- };
172
- var combinator = {
173
- '@header': 'Selection Combinators',
174
- intersect: (0, helpers_1.symbol)(symbol_1.Arguments.List(Types.ElementSelectionQuery), Types.ElementSelectionQuery, 'Return all unique atom sets that appear in all of the source selections.'),
175
- merge: (0, helpers_1.symbol)(symbol_1.Arguments.List(Types.ElementSelectionQuery), Types.ElementSelectionQuery, 'Merges multiple selections into a single one. Only unique atom sets are kept.'),
176
- distanceCluster: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
177
- matrix: (0, symbol_1.Argument)(Core.Types.List(Core.Types.List(type_1.Type.Num)), { description: 'Distance matrix, represented as list of rows (num[][])). Lower triangle is min distance, upper triangle is max distance.' }),
178
- selections: (0, symbol_1.Argument)(Core.Types.List(Types.ElementSelectionQuery), { description: 'A list of held selections.' })
179
- }), Types.ElementSelectionQuery, 'Pick combinations of atom sets from the source sequences that are mutually within distances specified by a matrix.')
180
- };
181
- var atomSet = {
182
- '@header': 'Atom Sets',
183
- atomCount: (0, helpers_1.symbol)(symbol_1.Arguments.None, type_1.Type.Num),
184
- countQuery: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
185
- 0: (0, symbol_1.Argument)(Types.ElementSelectionQuery)
186
- }), type_1.Type.Num, 'Counts the number of occurences of a specific query inside the current atom set.'),
187
- reduce: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
188
- initial: (0, symbol_1.Argument)(type_1.Type.Variable('a', type_1.Type.AnyValue, true), { description: 'Initial value assigned to slot.atom-set-reduce. Current atom is set to the 1st atom of the current set for this.' }),
189
- value: (0, symbol_1.Argument)(type_1.Type.Variable('a', type_1.Type.AnyValue, true), { description: 'Expression executed for each atom in the set' })
190
- }), type_1.Type.Variable('a', type_1.Type.AnyValue, true), 'Execute the value expression for each atom in the current atom set and return the result. Works the same way as Array.reduce in JavaScript (``result = value(value(...value(initial)))``)'),
191
- propertySet: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
192
- 0: (0, symbol_1.Argument)(Core.Types.ConstrainedVar),
193
- }), Core.Types.Set(Core.Types.ConstrainedVar), 'Returns a set with all values of the given property in the current atom set.'),
194
- };
195
- var atomProperty = {
196
- '@header': 'Atom Properties',
197
- core: {
198
- '@header': 'Core Properties',
199
- elementSymbol: atomProp(Types.ElementSymbol),
200
- vdw: atomProp(type_1.Type.Num, 'Van der Waals radius'),
201
- mass: atomProp(type_1.Type.Num, 'Atomic weight'),
202
- atomicNumber: atomProp(type_1.Type.Num, 'Atomic number'),
203
- x: atomProp(type_1.Type.Num, 'Cartesian X coordinate'),
204
- y: atomProp(type_1.Type.Num, 'Cartesian Y coordinate'),
205
- z: atomProp(type_1.Type.Num, 'Cartesian Z coordinate'),
206
- atomKey: atomProp(type_1.Type.AnyValue, 'Unique value for each atom. Main use case is grouping of atoms.'),
207
- bondCount: (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({
208
- 0: (0, symbol_1.Argument)(Types.ElementReference, { isOptional: true, defaultValue: 'slot.current-atom' }),
209
- flags: (0, symbol_1.Argument)(Types.BondFlags, { isOptional: true, defaultValue: 'covalent' }),
210
- }), type_1.Type.Num, 'Number of bonds (by default only covalent bonds are counted).'),
211
- sourceIndex: atomProp(type_1.Type.Num, 'Index of the atom/element in the input file.'),
212
- operatorName: atomProp(type_1.Type.Str, 'Name of the symmetry operator applied to this element.'),
213
- modelIndex: atomProp(type_1.Type.Num, 'Index of the model in the input file.'),
214
- modelLabel: atomProp(type_1.Type.Str, 'Label/header of the model in the input file.')
215
- },
216
- topology: {
217
- connectedComponentKey: atomProp(type_1.Type.AnyValue, 'Unique value for each connected component.')
218
- },
219
- macromolecular: {
220
- '@header': 'Macromolecular Properties (derived from the mmCIF format)',
221
- authResidueId: atomProp(Types.ResidueId, "type.auth-residue-id symbol executed on current atom's residue"),
222
- labelResidueId: atomProp(Types.ResidueId, "type.label-residue-id symbol executed on current atom's residue"),
223
- residueKey: atomProp(type_1.Type.AnyValue, 'Unique value for each tuple ``(label_entity_id,auth_asym_id, auth_seq_id, pdbx_PDB_ins_code)``, main use case is grouping of atoms'),
224
- chainKey: atomProp(type_1.Type.AnyValue, 'Unique value for each tuple ``(label_entity_id, auth_asym_id)``, main use case is grouping of atoms'),
225
- entityKey: atomProp(type_1.Type.AnyValue, 'Unique value for each tuple ``label_entity_id``, main use case is grouping of atoms'),
226
- isHet: atomProp(type_1.Type.Bool, 'Equivalent to atom_site.group_PDB !== ATOM'),
227
- id: atomProp(type_1.Type.Num, '_atom_site.id'),
228
- label_atom_id: atomProp(Types.AtomName),
229
- label_alt_id: atomProp(type_1.Type.Str),
230
- label_comp_id: atomProp(type_1.Type.Str),
231
- label_asym_id: atomProp(type_1.Type.Str),
232
- label_entity_id: atomProp(type_1.Type.Str),
233
- label_seq_id: atomProp(type_1.Type.Num),
234
- auth_atom_id: atomProp(Types.AtomName),
235
- auth_comp_id: atomProp(type_1.Type.Str),
236
- auth_asym_id: atomProp(type_1.Type.Str),
237
- auth_seq_id: atomProp(type_1.Type.Num),
238
- pdbx_PDB_ins_code: atomProp(type_1.Type.Str),
239
- pdbx_formal_charge: atomProp(type_1.Type.Num),
240
- occupancy: atomProp(type_1.Type.Num),
241
- B_iso_or_equiv: atomProp(type_1.Type.Num),
242
- entityType: atomProp(Types.EntityType, 'Type of the entity as defined in mmCIF (polymer, non-polymer, branched, water)'),
243
- entitySubtype: atomProp(Types.EntitySubtype, 'Subtype of the entity as defined in mmCIF _entity_poly.type and _pdbx_entity_branch.type (other, polypeptide(D), polypeptide(L), polydeoxyribonucleotide, polyribonucleotide, polydeoxyribonucleotide/polyribonucleotide hybrid, cyclic-pseudo-peptide, peptide nucleic acid, oligosaccharide)'),
244
- entityPrdId: atomProp(type_1.Type.Str, "The PRD ID of the entity."),
245
- entityDescription: atomProp(Core.Types.List(type_1.Type.Str)),
246
- objectPrimitive: atomProp(Types.ObjectPrimitive, 'Type of the primitive object used to model this segment as defined in mmCIF/IHM (atomistic, sphere, gaussian, other)'),
247
- secondaryStructureKey: atomProp(type_1.Type.AnyValue, 'Unique value for each secondary structure element.'),
248
- secondaryStructureFlags: atomProp(Types.SecondaryStructureFlags),
249
- isModified: atomProp(type_1.Type.Bool, 'True if the atom belongs to modification of a standard residue.'),
250
- modifiedParentName: atomProp(type_1.Type.Str, "'3-letter' code of the modifed parent residue."),
251
- isNonStandard: atomProp(type_1.Type.Bool, 'True if this is a non-standard residue.'),
252
- chemCompType: atomProp(type_1.Type.Str, "Type of the chemical component as defined in mmCIF."),
253
- }
254
- };
255
- var bondProperty = {
256
- '@header': 'Bond Properties',
257
- flags: bondProp(Types.BondFlags),
258
- order: bondProp(type_1.Type.Num),
259
- length: bondProp(type_1.Type.Num),
260
- atomA: bondProp(Types.ElementReference),
261
- atomB: bondProp(Types.ElementReference)
262
- };
263
- function atomProp(type, description) {
264
- return (0, helpers_1.symbol)(symbol_1.Arguments.Dictionary({ 0: (0, symbol_1.Argument)(Types.ElementReference, { isOptional: true, defaultValue: 'slot.current-atom' }) }), type, description);
265
- }
266
- function bondProp(type, description) {
267
- return (0, helpers_1.symbol)(symbol_1.Arguments.None, type, description);
268
- }
269
- exports.structureQuery = {
270
- '@header': 'Structure Queries',
271
- type: type,
272
- slot: slot,
273
- generator: generator,
274
- modifier: modifier,
275
- filter: filter,
276
- combinator: combinator,
277
- atomSet: atomSet,
278
- atomProperty: atomProperty,
279
- bondProperty: bondProperty
280
- };
281
- //# sourceMappingURL=structure-query.js.map