molstar 3.4.0 → 3.6.1

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 (401) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -197
  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/build/viewer/molstar.js.LICENSE.txt +12 -14
  7. package/lib/apps/docking-viewer/index.html +36 -36
  8. package/lib/apps/docking-viewer/index.js +1 -1
  9. package/lib/apps/viewer/app.js +1 -1
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.html +106 -106
  12. package/lib/cli/chem-comp-dict/util.d.ts +20 -20
  13. package/lib/cli/cif2bcif/converter.js +1 -1
  14. package/lib/cli/cif2bcif/index.js +4 -4
  15. package/lib/cli/cifschema/util/cif-dic.d.ts +1 -1
  16. package/lib/cli/cifschema/util/cif-dic.js +7 -5
  17. package/lib/cli/cifschema/util/generate.d.ts +1 -1
  18. package/lib/cli/cifschema/util/generate.js +12 -3
  19. package/lib/cli/cifschema/util/schema.d.ts +3 -3
  20. package/lib/cli/cifschema/util/schema.js +1 -1
  21. package/lib/commonjs/apps/docking-viewer/index.js +2 -2
  22. package/lib/commonjs/apps/viewer/app.js +2 -2
  23. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +20 -20
  24. package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
  25. package/lib/commonjs/cli/cif2bcif/index.js +4 -4
  26. package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +1 -1
  27. package/lib/commonjs/cli/cifschema/util/cif-dic.js +7 -5
  28. package/lib/commonjs/cli/cifschema/util/generate.d.ts +1 -1
  29. package/lib/commonjs/cli/cifschema/util/generate.js +12 -3
  30. package/lib/commonjs/cli/cifschema/util/schema.d.ts +3 -3
  31. package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
  32. package/lib/commonjs/examples/alpha-orbitals/index.js +2 -2
  33. package/lib/commonjs/examples/basic-wrapper/index.js +2 -2
  34. package/lib/commonjs/examples/lighting/index.js +2 -2
  35. package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
  36. package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
  37. package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
  38. package/lib/commonjs/extensions/cellpack/representation.d.ts +1 -0
  39. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  40. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
  41. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +1 -3
  42. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  43. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +18 -19
  44. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
  45. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
  46. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  47. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +2 -0
  48. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
  49. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  50. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  51. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
  52. package/lib/commonjs/mol-data/db/column.d.ts +10 -3
  53. package/lib/commonjs/mol-data/db/column.js +39 -17
  54. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
  55. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
  56. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  57. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  58. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  59. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
  60. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
  61. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  62. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
  63. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
  64. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  65. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
  66. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
  67. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
  68. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
  69. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
  70. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  71. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  72. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
  73. package/lib/commonjs/mol-gl/shader/image.frag.js +2 -2
  74. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
  75. package/lib/commonjs/mol-gl/shader/lines.frag.js +2 -2
  76. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
  77. package/lib/commonjs/mol-gl/shader/points.frag.js +2 -2
  78. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +2 -2
  79. package/lib/commonjs/mol-gl/shader/text.frag.js +2 -2
  80. package/lib/commonjs/mol-gl/webgl/buffer.d.ts +2 -2
  81. package/lib/commonjs/mol-gl/webgl/buffer.js +12 -12
  82. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  83. package/lib/commonjs/mol-gl/webgl/context.js +2 -2
  84. package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
  85. package/lib/commonjs/mol-gl/webgl/program.js +10 -4
  86. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +8 -8
  87. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +12 -11
  88. package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
  89. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +12 -12
  90. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +13 -12
  91. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
  92. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  93. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
  94. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +44 -39
  95. package/lib/commonjs/mol-io/reader/cif/schema.d.ts +1 -1
  96. package/lib/commonjs/mol-io/reader/cif/schema.js +22 -2
  97. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  98. package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
  99. package/lib/commonjs/mol-math/geometry/common.js +1 -1
  100. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
  101. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +2 -2
  102. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
  103. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +7 -7
  104. package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
  105. package/lib/commonjs/mol-math/geometry/gaussian-density.js +1 -1
  106. package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
  107. package/lib/commonjs/mol-math/geometry/molecular-surface.js +2 -2
  108. package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
  109. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +12 -6
  110. package/lib/commonjs/mol-model/structure/model/model.js +14 -6
  111. package/lib/commonjs/mol-model/structure/model/properties/common.js +1 -1
  112. package/lib/commonjs/mol-model/structure/model/types.d.ts +19 -17
  113. package/lib/commonjs/mol-model/structure/model/types.js +30 -31
  114. package/lib/commonjs/mol-model/structure/query/queries/generators.js +1 -1
  115. package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -1
  116. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
  117. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
  118. package/lib/commonjs/mol-model/structure/structure/unit/rings.js +3 -0
  119. package/lib/commonjs/mol-model-formats/shape/ply.d.ts +2 -0
  120. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  121. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
  122. package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +3 -3
  123. package/lib/commonjs/mol-model-formats/structure/common/component.js +46 -46
  124. package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.d.ts +2 -2
  125. package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js +72 -7
  126. package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
  127. package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +7 -2
  128. package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
  129. package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
  130. package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
  131. package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
  132. package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -0
  133. package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
  134. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
  135. package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +4 -2
  136. package/lib/commonjs/mol-plugin/commands.d.ts +1 -0
  137. package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -0
  138. package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +6 -6
  139. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
  140. package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +1 -1
  141. package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +6 -0
  142. package/lib/commonjs/mol-plugin-ui/react18.d.ts +11 -0
  143. package/lib/commonjs/mol-plugin-ui/react18.js +38 -0
  144. package/lib/commonjs/mol-plugin-ui/state/common.js +6 -7
  145. package/lib/commonjs/mol-plugin-ui/structure/focus.d.ts +1 -1
  146. package/lib/commonjs/mol-plugin-ui/structure/focus.js +2 -2
  147. package/lib/commonjs/mol-plugin-ui/task.d.ts +2 -21
  148. package/lib/commonjs/mol-plugin-ui/task.js +39 -43
  149. package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +1 -0
  150. package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +1 -0
  151. package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -0
  152. package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -0
  153. package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -0
  154. package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +3 -0
  155. package/lib/commonjs/mol-repr/structure/params.d.ts +4 -0
  156. package/lib/commonjs/mol-repr/structure/registry.d.ts +10 -0
  157. package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -0
  158. package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
  159. package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
  160. package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -0
  161. package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
  162. package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
  163. package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
  164. package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -0
  165. package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -0
  166. package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -0
  167. package/lib/commonjs/mol-repr/structure/units-visual.d.ts +4 -0
  168. package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
  169. package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
  170. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
  171. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
  172. package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
  173. package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -0
  174. package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
  175. package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
  176. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -1
  177. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -9
  178. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  179. package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
  180. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
  181. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +3 -3
  182. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  183. package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +4 -4
  184. package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
  185. package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
  186. package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
  187. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
  188. package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
  189. package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
  190. package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
  191. package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
  192. package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
  193. package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -3
  194. package/lib/commonjs/mol-repr/structure/visual/util/common.js +2 -27
  195. package/lib/commonjs/mol-repr/util.d.ts +2 -1
  196. package/lib/commonjs/mol-repr/util.js +2 -2
  197. package/lib/commonjs/mol-repr/volume/isosurface.d.ts +5 -0
  198. package/lib/commonjs/mol-repr/volume/registry.d.ts +1 -0
  199. package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
  200. package/lib/examples/alpha-orbitals/index.html +61 -61
  201. package/lib/examples/alpha-orbitals/index.js +1 -1
  202. package/lib/examples/basic-wrapper/index.html +137 -137
  203. package/lib/examples/basic-wrapper/index.js +1 -1
  204. package/lib/examples/lighting/index.html +88 -88
  205. package/lib/examples/lighting/index.js +1 -1
  206. package/lib/examples/proteopedia-wrapper/index.html +236 -236
  207. package/lib/examples/proteopedia-wrapper/index.js +1 -1
  208. package/lib/extensions/anvil/behavior.d.ts +1 -0
  209. package/lib/extensions/anvil/representation.d.ts +4 -0
  210. package/lib/extensions/cellpack/representation.d.ts +1 -0
  211. package/lib/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  212. package/lib/extensions/dnatco/confal-pyramids/color.js +224 -132
  213. package/lib/extensions/dnatco/confal-pyramids/property.js +1 -3
  214. package/lib/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  215. package/lib/extensions/dnatco/confal-pyramids/util.js +19 -20
  216. package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
  217. package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
  218. package/lib/extensions/rcsb/validation-report/representation.d.ts +5 -0
  219. package/lib/mol-canvas3d/canvas3d.d.ts +2 -0
  220. package/lib/mol-canvas3d/helper/camera-helper.d.ts +1 -0
  221. package/lib/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  222. package/lib/mol-canvas3d/helper/helper.d.ts +2 -0
  223. package/lib/mol-canvas3d/passes/image.d.ts +1 -0
  224. package/lib/mol-data/db/column.d.ts +10 -3
  225. package/lib/mol-data/db/column.js +39 -18
  226. package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
  227. package/lib/mol-geo/geometry/cylinders/cylinders.js +2 -2
  228. package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
  229. package/lib/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  230. package/lib/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  231. package/lib/mol-geo/geometry/mesh/mesh.d.ts +2 -1
  232. package/lib/mol-geo/geometry/mesh/mesh.js +2 -2
  233. package/lib/mol-geo/geometry/points/points.d.ts +1 -1
  234. package/lib/mol-geo/geometry/spheres/spheres.d.ts +2 -1
  235. package/lib/mol-geo/geometry/spheres/spheres.js +2 -2
  236. package/lib/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  237. package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
  238. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
  239. package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
  240. package/lib/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
  241. package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
  242. package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  243. package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
  244. package/lib/mol-gl/shader/image.frag.d.ts +2 -2
  245. package/lib/mol-gl/shader/image.frag.js +2 -2
  246. package/lib/mol-gl/shader/lines.frag.d.ts +2 -2
  247. package/lib/mol-gl/shader/lines.frag.js +2 -2
  248. package/lib/mol-gl/shader/points.frag.d.ts +2 -2
  249. package/lib/mol-gl/shader/points.frag.js +2 -2
  250. package/lib/mol-gl/shader/text.frag.d.ts +2 -2
  251. package/lib/mol-gl/shader/text.frag.js +2 -2
  252. package/lib/mol-gl/webgl/buffer.d.ts +2 -2
  253. package/lib/mol-gl/webgl/buffer.js +12 -12
  254. package/lib/mol-gl/webgl/context.d.ts +1 -1
  255. package/lib/mol-gl/webgl/context.js +2 -2
  256. package/lib/mol-gl/webgl/program.d.ts +1 -1
  257. package/lib/mol-gl/webgl/program.js +10 -4
  258. package/lib/mol-io/reader/cif/schema/bird.d.ts +8 -8
  259. package/lib/mol-io/reader/cif/schema/bird.js +12 -11
  260. package/lib/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
  261. package/lib/mol-io/reader/cif/schema/ccd.d.ts +12 -12
  262. package/lib/mol-io/reader/cif/schema/ccd.js +13 -12
  263. package/lib/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
  264. package/lib/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  265. package/lib/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
  266. package/lib/mol-io/reader/cif/schema/mmcif.js +44 -39
  267. package/lib/mol-io/reader/cif/schema.d.ts +1 -1
  268. package/lib/mol-io/reader/cif/schema.js +22 -2
  269. package/lib/mol-io/writer/mol/encoder.js +1 -1
  270. package/lib/mol-math/geometry/common.d.ts +2 -1
  271. package/lib/mol-math/geometry/common.js +1 -1
  272. package/lib/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
  273. package/lib/mol-math/geometry/gaussian-density/cpu.js +2 -2
  274. package/lib/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
  275. package/lib/mol-math/geometry/gaussian-density/gpu.js +7 -7
  276. package/lib/mol-math/geometry/gaussian-density.d.ts +2 -2
  277. package/lib/mol-math/geometry/gaussian-density.js +1 -1
  278. package/lib/mol-math/geometry/molecular-surface.d.ts +2 -1
  279. package/lib/mol-math/geometry/molecular-surface.js +2 -2
  280. package/lib/mol-math/geometry/primitives/box3d.js +2 -1
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  401. package/package.json +162 -160
@@ -6,141 +6,239 @@
6
6
  */
7
7
  import { ConfalPyramids, ConfalPyramidsProvider } from './property';
8
8
  import { ConfalPyramidsTypes as CPT } from './types';
9
- import { Color } from '../../../mol-util/color';
9
+ import { Color, ColorMap } from '../../../mol-util/color';
10
+ import { getColorMapParams } from '../../../mol-util/color/params';
10
11
  import { ParamDefinition as PD } from '../../../mol-util/param-definition';
11
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  import { TableLegend } from '../../../mol-util/legend';
12
- import { iterableToArray } from '../../../mol-data/util';
13
- var DefaultColor = Color(0xCCCCCC);
13
+ import { ObjectKeys } from '../../../mol-util/type-helpers';
14
14
  var Description = 'Assigns colors to confal pyramids';
15
+ var DefaultClassColors = {
16
+ A: 0xFFC1C1,
17
+ B: 0xC8CFFF,
18
+ BII: 0x0059DA,
19
+ miB: 0x3BE8FB,
20
+ Z: 0x01F60E,
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+ IC: 0xFA5CFB,
22
+ OPN: 0xE90000,
23
+ SYN: 0xFFFF01,
24
+ N: 0xF2F2F2,
25
+ };
15
26
  var ErrorColor = Color(0xFFA10A);
16
- var ColorMapping = new Map([
17
- ['A', Color(0xFFC1C1)],
18
- ['B', Color(0xC8CFFF)],
19
- ['BII', Color(0x0059DA)],
20
- ['miB', Color(0x3BE8FB)],
21
- ['Z', Color(0x01F60E)],
22
- ['IC', Color(0xFA5CFB)],
23
- ['OPN', Color(0xE90000)],
24
- ['SYN', Color(0xFFFF01)],
25
- ['N', Color(0xF2F2F2)],
26
- ]);
27
- var NtCToClasses = new Map([
28
- ['NANT', ['N', 'N']],
29
- ['AA00', ['A', 'A']],
30
- ['AA02', ['A', 'A']],
31
- ['AA03', ['A', 'A']],
32
- ['AA04', ['A', 'A']],
33
- ['AA08', ['A', 'A']],
34
- ['AA09', ['A', 'A']],
35
- ['AA01', ['A', 'A']],
36
- ['AA05', ['A', 'A']],
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- ['AA06', ['A', 'A']],
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- ['AA10', ['A', 'A']],
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- ['AA11', ['A', 'A']],
40
- ['AA07', ['A', 'A']],
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- ['AA12', ['A', 'A']],
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- ['AA13', ['A', 'A']],
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- ['AB01', ['A', 'B']],
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- ['AB02', ['A', 'B']],
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- ['AB03', ['A', 'B']],
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- ['AB04', ['A', 'B']],
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- ['AB05', ['A', 'B']],
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- ['BA01', ['B', 'A']],
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- ['BA05', ['B', 'A']],
50
- ['BA09', ['B', 'A']],
51
- ['BA08', ['BII', 'A']],
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- ['BA10', ['B', 'A']],
53
- ['BA13', ['BII', 'A']],
54
- ['BA16', ['BII', 'A']],
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- ['BA17', ['BII', 'A']],
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- ['BB00', ['B', 'B']],
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- ['BB01', ['B', 'B']],
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- ['BB17', ['B', 'B']],
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- ['BB02', ['B', 'B']],
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- ['BB03', ['B', 'B']],
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- ['BB11', ['B', 'B']],
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- ['BB16', ['B', 'B']],
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- ['BB04', ['B', 'BII']],
64
- ['BB05', ['B', 'BII']],
65
- ['BB07', ['BII', 'BII']],
66
- ['BB08', ['BII', 'BII']],
67
- ['BB10', ['miB', 'miB']],
68
- ['BB12', ['miB', 'miB']],
69
- ['BB13', ['miB', 'miB']],
70
- ['BB14', ['miB', 'miB']],
71
- ['BB15', ['miB', 'miB']],
72
- ['BB20', ['miB', 'miB']],
73
- ['IC01', ['IC', 'IC']],
74
- ['IC02', ['IC', 'IC']],
75
- ['IC03', ['IC', 'IC']],
76
- ['IC04', ['IC', 'IC']],
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- ['IC05', ['IC', 'IC']],
78
- ['IC06', ['IC', 'IC']],
79
- ['IC07', ['IC', 'IC']],
80
- ['OP01', ['OPN', 'OPN']],
81
- ['OP02', ['OPN', 'OPN']],
82
- ['OP03', ['OPN', 'OPN']],
83
- ['OP04', ['OPN', 'OPN']],
84
- ['OP05', ['OPN', 'OPN']],
85
- ['OP06', ['OPN', 'OPN']],
86
- ['OP07', ['OPN', 'OPN']],
87
- ['OP08', ['OPN', 'OPN']],
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- ['OP09', ['OPN', 'OPN']],
89
- ['OP10', ['OPN', 'OPN']],
90
- ['OP11', ['OPN', 'OPN']],
91
- ['OP12', ['OPN', 'OPN']],
92
- ['OP13', ['OPN', 'OPN']],
93
- ['OP14', ['OPN', 'OPN']],
94
- ['OP15', ['OPN', 'OPN']],
95
- ['OP16', ['OPN', 'OPN']],
96
- ['OP17', ['OPN', 'OPN']],
97
- ['OP18', ['OPN', 'OPN']],
98
- ['OP19', ['OPN', 'OPN']],
99
- ['OP20', ['OPN', 'OPN']],
100
- ['OP21', ['OPN', 'OPN']],
101
- ['OP22', ['OPN', 'OPN']],
102
- ['OP23', ['OPN', 'OPN']],
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- ['OP24', ['OPN', 'OPN']],
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- ['OP25', ['OPN', 'OPN']],
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- ['OP26', ['OPN', 'OPN']],
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- ['OP27', ['OPN', 'OPN']],
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- ['OP28', ['OPN', 'OPN']],
108
- ['OP29', ['OPN', 'OPN']],
109
- ['OP30', ['OPN', 'OPN']],
110
- ['OP31', ['OPN', 'OPN']],
111
- ['OPS1', ['OPN', 'OPN']],
112
- ['OP1S', ['OPN', 'SYN']],
113
- ['AAS1', ['SYN', 'A']],
114
- ['AB1S', ['A', 'SYN']],
115
- ['AB2S', ['A', 'SYN']],
116
- ['BB1S', ['B', 'SYN']],
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- ['BB2S', ['B', 'SYN']],
118
- ['BBS1', ['SYN', 'B']],
119
- ['ZZ01', ['Z', 'Z']],
120
- ['ZZ02', ['Z', 'Z']],
121
- ['ZZ1S', ['Z', 'SYN']],
122
- ['ZZ2S', ['Z', 'SYN']],
123
- ['ZZS1', ['SYN', 'Z']],
124
- ['ZZS2', ['SYN', 'Z']],
125
- ]);
126
- function getConformerColor(ntc, useLower) {
127
- var _a;
128
- var item = NtCToClasses.get(ntc);
129
- if (!item)
130
- return ErrorColor;
131
- return (_a = ColorMapping.get(useLower ? item[1] : item[0])) !== null && _a !== void 0 ? _a : ErrorColor;
132
- }
133
- export var ConfalPyramidsColorThemeParams = {};
27
+ var PyramidsColors = ColorMap({
28
+ NANT_Upr: DefaultClassColors.N,
29
+ NANT_Lwr: DefaultClassColors.N,
30
+ AA00_Upr: DefaultClassColors.A,
31
+ AA00_Lwr: DefaultClassColors.A,
32
+ AA02_Upr: DefaultClassColors.A,
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+ AA02_Lwr: DefaultClassColors.A,
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+ AA03_Upr: DefaultClassColors.A,
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+ AA03_Lwr: DefaultClassColors.A,
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+ AA04_Upr: DefaultClassColors.A,
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+ AA04_Lwr: DefaultClassColors.A,
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+ AA08_Upr: DefaultClassColors.A,
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+ AA08_Lwr: DefaultClassColors.A,
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+ AA09_Upr: DefaultClassColors.A,
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+ AA09_Lwr: DefaultClassColors.A,
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+ AA01_Upr: DefaultClassColors.A,
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+ AA01_Lwr: DefaultClassColors.A,
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+ AA05_Upr: DefaultClassColors.A,
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+ AA05_Lwr: DefaultClassColors.A,
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+ AA06_Upr: DefaultClassColors.A,
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+ AA06_Lwr: DefaultClassColors.A,
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+ AA10_Upr: DefaultClassColors.A,
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+ AA10_Lwr: DefaultClassColors.A,
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+ AA11_Upr: DefaultClassColors.A,
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+ AA11_Lwr: DefaultClassColors.A,
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+ AA07_Upr: DefaultClassColors.A,
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+ AA07_Lwr: DefaultClassColors.A,
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+ AA12_Upr: DefaultClassColors.A,
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+ AA12_Lwr: DefaultClassColors.A,
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+ AA13_Upr: DefaultClassColors.A,
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+ AA13_Lwr: DefaultClassColors.A,
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+ AB01_Upr: DefaultClassColors.A,
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+ AB01_Lwr: DefaultClassColors.B,
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+ AB02_Upr: DefaultClassColors.A,
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+ AB02_Lwr: DefaultClassColors.B,
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+ AB03_Upr: DefaultClassColors.A,
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+ AB03_Lwr: DefaultClassColors.B,
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+ AB04_Upr: DefaultClassColors.A,
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+ AB04_Lwr: DefaultClassColors.B,
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+ AB05_Upr: DefaultClassColors.A,
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+ AB05_Lwr: DefaultClassColors.B,
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+ BA01_Upr: DefaultClassColors.B,
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+ BA01_Lwr: DefaultClassColors.A,
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+ BA05_Upr: DefaultClassColors.B,
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+ BA05_Lwr: DefaultClassColors.A,
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+ BA09_Upr: DefaultClassColors.B,
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+ BA09_Lwr: DefaultClassColors.A,
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+ BA08_Upr: DefaultClassColors.BII,
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+ BA08_Lwr: DefaultClassColors.A,
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+ BA10_Upr: DefaultClassColors.B,
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+ BA10_Lwr: DefaultClassColors.A,
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+ BA13_Upr: DefaultClassColors.BII,
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+ BA13_Lwr: DefaultClassColors.A,
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+ BA16_Upr: DefaultClassColors.BII,
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+ BA16_Lwr: DefaultClassColors.A,
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+ BA17_Upr: DefaultClassColors.BII,
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+ BA17_Lwr: DefaultClassColors.A,
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+ BB00_Upr: DefaultClassColors.B,
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+ BB00_Lwr: DefaultClassColors.B,
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+ BB01_Upr: DefaultClassColors.B,
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+ BB01_Lwr: DefaultClassColors.B,
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+ BB17_Upr: DefaultClassColors.B,
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+ BB17_Lwr: DefaultClassColors.B,
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+ BB02_Upr: DefaultClassColors.B,
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+ BB02_Lwr: DefaultClassColors.B,
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+ BB03_Upr: DefaultClassColors.B,
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+ BB03_Lwr: DefaultClassColors.B,
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+ BB11_Upr: DefaultClassColors.B,
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+ BB11_Lwr: DefaultClassColors.B,
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+ BB16_Upr: DefaultClassColors.B,
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+ BB16_Lwr: DefaultClassColors.B,
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+ BB04_Upr: DefaultClassColors.B,
99
+ BB04_Lwr: DefaultClassColors.BII,
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+ BB05_Upr: DefaultClassColors.B,
101
+ BB05_Lwr: DefaultClassColors.BII,
102
+ BB07_Upr: DefaultClassColors.BII,
103
+ BB07_Lwr: DefaultClassColors.BII,
104
+ BB08_Upr: DefaultClassColors.BII,
105
+ BB08_Lwr: DefaultClassColors.BII,
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+ BB10_Upr: DefaultClassColors.miB,
107
+ BB10_Lwr: DefaultClassColors.miB,
108
+ BB12_Upr: DefaultClassColors.miB,
109
+ BB12_Lwr: DefaultClassColors.miB,
110
+ BB13_Upr: DefaultClassColors.miB,
111
+ BB13_Lwr: DefaultClassColors.miB,
112
+ BB14_Upr: DefaultClassColors.miB,
113
+ BB14_Lwr: DefaultClassColors.miB,
114
+ BB15_Upr: DefaultClassColors.miB,
115
+ BB15_Lwr: DefaultClassColors.miB,
116
+ BB20_Upr: DefaultClassColors.miB,
117
+ BB20_Lwr: DefaultClassColors.miB,
118
+ IC01_Upr: DefaultClassColors.IC,
119
+ IC01_Lwr: DefaultClassColors.IC,
120
+ IC02_Upr: DefaultClassColors.IC,
121
+ IC02_Lwr: DefaultClassColors.IC,
122
+ IC03_Upr: DefaultClassColors.IC,
123
+ IC03_Lwr: DefaultClassColors.IC,
124
+ IC04_Upr: DefaultClassColors.IC,
125
+ IC04_Lwr: DefaultClassColors.IC,
126
+ IC05_Upr: DefaultClassColors.IC,
127
+ IC05_Lwr: DefaultClassColors.IC,
128
+ IC06_Upr: DefaultClassColors.IC,
129
+ IC06_Lwr: DefaultClassColors.IC,
130
+ IC07_Upr: DefaultClassColors.IC,
131
+ IC07_Lwr: DefaultClassColors.IC,
132
+ OP01_Upr: DefaultClassColors.OPN,
133
+ OP01_Lwr: DefaultClassColors.OPN,
134
+ OP02_Upr: DefaultClassColors.OPN,
135
+ OP02_Lwr: DefaultClassColors.OPN,
136
+ OP03_Upr: DefaultClassColors.OPN,
137
+ OP03_Lwr: DefaultClassColors.OPN,
138
+ OP04_Upr: DefaultClassColors.OPN,
139
+ OP04_Lwr: DefaultClassColors.OPN,
140
+ OP05_Upr: DefaultClassColors.OPN,
141
+ OP05_Lwr: DefaultClassColors.OPN,
142
+ OP06_Upr: DefaultClassColors.OPN,
143
+ OP06_Lwr: DefaultClassColors.OPN,
144
+ OP07_Upr: DefaultClassColors.OPN,
145
+ OP07_Lwr: DefaultClassColors.OPN,
146
+ OP08_Upr: DefaultClassColors.OPN,
147
+ OP08_Lwr: DefaultClassColors.OPN,
148
+ OP09_Upr: DefaultClassColors.OPN,
149
+ OP09_Lwr: DefaultClassColors.OPN,
150
+ OP10_Upr: DefaultClassColors.OPN,
151
+ OP10_Lwr: DefaultClassColors.OPN,
152
+ OP11_Upr: DefaultClassColors.OPN,
153
+ OP11_Lwr: DefaultClassColors.OPN,
154
+ OP12_Upr: DefaultClassColors.OPN,
155
+ OP12_Lwr: DefaultClassColors.OPN,
156
+ OP13_Upr: DefaultClassColors.OPN,
157
+ OP13_Lwr: DefaultClassColors.OPN,
158
+ OP14_Upr: DefaultClassColors.OPN,
159
+ OP14_Lwr: DefaultClassColors.OPN,
160
+ OP15_Upr: DefaultClassColors.OPN,
161
+ OP15_Lwr: DefaultClassColors.OPN,
162
+ OP16_Upr: DefaultClassColors.OPN,
163
+ OP16_Lwr: DefaultClassColors.OPN,
164
+ OP17_Upr: DefaultClassColors.OPN,
165
+ OP17_Lwr: DefaultClassColors.OPN,
166
+ OP18_Upr: DefaultClassColors.OPN,
167
+ OP18_Lwr: DefaultClassColors.OPN,
168
+ OP19_Upr: DefaultClassColors.OPN,
169
+ OP19_Lwr: DefaultClassColors.OPN,
170
+ OP20_Upr: DefaultClassColors.OPN,
171
+ OP20_Lwr: DefaultClassColors.OPN,
172
+ OP21_Upr: DefaultClassColors.OPN,
173
+ OP21_Lwr: DefaultClassColors.OPN,
174
+ OP22_Upr: DefaultClassColors.OPN,
175
+ OP22_Lwr: DefaultClassColors.OPN,
176
+ OP23_Upr: DefaultClassColors.OPN,
177
+ OP23_Lwr: DefaultClassColors.OPN,
178
+ OP24_Upr: DefaultClassColors.OPN,
179
+ OP24_Lwr: DefaultClassColors.OPN,
180
+ OP25_Upr: DefaultClassColors.OPN,
181
+ OP25_Lwr: DefaultClassColors.OPN,
182
+ OP26_Upr: DefaultClassColors.OPN,
183
+ OP26_Lwr: DefaultClassColors.OPN,
184
+ OP27_Upr: DefaultClassColors.OPN,
185
+ OP27_Lwr: DefaultClassColors.OPN,
186
+ OP28_Upr: DefaultClassColors.OPN,
187
+ OP28_Lwr: DefaultClassColors.OPN,
188
+ OP29_Upr: DefaultClassColors.OPN,
189
+ OP29_Lwr: DefaultClassColors.OPN,
190
+ OP30_Upr: DefaultClassColors.OPN,
191
+ OP30_Lwr: DefaultClassColors.OPN,
192
+ OP31_Upr: DefaultClassColors.OPN,
193
+ OP31_Lwr: DefaultClassColors.OPN,
194
+ OPS1_Upr: DefaultClassColors.OPN,
195
+ OPS1_Lwr: DefaultClassColors.OPN,
196
+ OP1S_Upr: DefaultClassColors.OPN,
197
+ OP1S_Lwr: DefaultClassColors.SYN,
198
+ AAS1_Upr: DefaultClassColors.SYN,
199
+ AAS1_Lwr: DefaultClassColors.A,
200
+ AB1S_Upr: DefaultClassColors.A,
201
+ AB1S_Lwr: DefaultClassColors.SYN,
202
+ AB2S_Upr: DefaultClassColors.A,
203
+ AB2S_Lwr: DefaultClassColors.SYN,
204
+ BB1S_Upr: DefaultClassColors.B,
205
+ BB1S_Lwr: DefaultClassColors.SYN,
206
+ BB2S_Upr: DefaultClassColors.B,
207
+ BB2S_Lwr: DefaultClassColors.SYN,
208
+ BBS1_Upr: DefaultClassColors.SYN,
209
+ BBS1_Lwr: DefaultClassColors.B,
210
+ ZZ01_Upr: DefaultClassColors.Z,
211
+ ZZ01_Lwr: DefaultClassColors.Z,
212
+ ZZ02_Upr: DefaultClassColors.Z,
213
+ ZZ02_Lwr: DefaultClassColors.Z,
214
+ ZZ1S_Upr: DefaultClassColors.Z,
215
+ ZZ1S_Lwr: DefaultClassColors.SYN,
216
+ ZZ2S_Upr: DefaultClassColors.Z,
217
+ ZZ2S_Lwr: DefaultClassColors.SYN,
218
+ ZZS1_Upr: DefaultClassColors.SYN,
219
+ ZZS1_Lwr: DefaultClassColors.Z,
220
+ ZZS2_Upr: DefaultClassColors.SYN,
221
+ ZZS2_Lwr: DefaultClassColors.Z,
222
+ });
223
+ export var ConfalPyramidsColorThemeParams = {
224
+ colors: PD.MappedStatic('default', {
225
+ 'default': PD.EmptyGroup(),
226
+ 'custom': PD.Group(getColorMapParams(PyramidsColors))
227
+ }),
228
+ };
134
229
  export function getConfalPyramidsColorThemeParams(ctx) {
135
- return ConfalPyramidsColorThemeParams; // TODO return copy
230
+ return PD.clone(ConfalPyramidsColorThemeParams);
136
231
  }
137
232
  export function ConfalPyramidsColorTheme(ctx, props) {
233
+ var colorMap = props.colors.name === 'default' ? PyramidsColors : props.colors.params;
138
234
  function color(location, isSecondary) {
235
+ var _a;
139
236
  if (CPT.isLocation(location)) {
140
- var _a = location.data, pyramid = _a.pyramid, isLower = _a.isLower;
141
- return getConformerColor(pyramid.NtC, isLower);
237
+ var _b = location.data, pyramid = _b.pyramid, isLower = _b.isLower;
238
+ var key = pyramid.NtC + "_".concat(isLower ? 'Lwr' : 'Upr');
239
+ return (_a = colorMap[key]) !== null && _a !== void 0 ? _a : ErrorColor;
142
240
  }
143
- return DefaultColor;
241
+ return ErrorColor;
144
242
  }
145
243
  return {
146
244
  factory: ConfalPyramidsColorTheme,
@@ -148,13 +246,7 @@ export function ConfalPyramidsColorTheme(ctx, props) {
148
246
  color: color,
149
247
  props: props,
150
248
  description: Description,
151
- legend: TableLegend(iterableToArray(ColorMapping.entries()).map(function (_a) {
152
- var conformer = _a[0], color = _a[1];
153
- return [conformer, color];
154
- }).concat([
155
- ['Error', ErrorColor],
156
- ['Unknown', DefaultColor]
157
- ]))
249
+ legend: TableLegend(ObjectKeys(colorMap).map(function (k) { return [k.replace('_', ' '), colorMap[k]]; }).concat([['Error', ErrorColor]])),
158
250
  };
159
251
  }
160
252
  export var ConfalPyramidsColorThemeProvider = {
@@ -112,10 +112,8 @@ function createPyramidsFromCif(model, steps, stepsSummary) {
112
112
  throw new Error('Inconsistent mmCIF data');
113
113
  for (var i = 0; i < _rowCount; i++) {
114
114
  var model_num = PDB_model_number.value(i);
115
- if (model_num !== model.modelNum) {
115
+ if (model_num !== model.modelNum)
116
116
  hasMultipleModels = true;
117
- continue; // We are only interested in data for the current model
118
- }
119
117
  var _a = getNtCAndConfalScore(id.value(i), i, stepsSummary), _NtC = _a._NtC, _confal_score = _a._confal_score;
120
118
  var pyramid = {
121
119
  PDB_model_number: model_num,
@@ -17,6 +17,7 @@ export declare const ConfalPyramidsParams: {
17
17
  flatShaded: PD.BooleanParam;
18
18
  ignoreLight: PD.BooleanParam;
19
19
  xrayShaded: PD.BooleanParam;
20
+ allowTransparentBackfaces: PD.BooleanParam;
20
21
  bumpFrequency: PD.Numeric;
21
22
  bumpAmplitude: PD.Numeric;
22
23
  alpha: PD.Numeric;
@@ -46,6 +47,7 @@ export declare function getConfalPyramidsParams(ctx: ThemeRegistryContext, struc
46
47
  flatShaded: PD.BooleanParam;
47
48
  ignoreLight: PD.BooleanParam;
48
49
  xrayShaded: PD.BooleanParam;
50
+ allowTransparentBackfaces: PD.BooleanParam;
49
51
  bumpFrequency: PD.Numeric;
50
52
  bumpAmplitude: PD.Numeric;
51
53
  alpha: PD.Numeric;
@@ -76,6 +78,7 @@ export declare const ConfalPyramidsRepresentationProvider: StructureRepresentati
76
78
  flatShaded: PD.BooleanParam;
77
79
  ignoreLight: PD.BooleanParam;
78
80
  xrayShaded: PD.BooleanParam;
81
+ allowTransparentBackfaces: PD.BooleanParam;
79
82
  bumpFrequency: PD.Numeric;
80
83
  bumpAmplitude: PD.Numeric;
81
84
  alpha: PD.Numeric;
@@ -6,7 +6,7 @@
6
6
  */
7
7
  import { __extends } from "tslib";
8
8
  import { ConfalPyramidsProvider } from './property';
9
- import { OrderedSet, Segmentation } from '../../../mol-data/int';
9
+ import { Segmentation } from '../../../mol-data/int';
10
10
  import { Vec3 } from '../../../mol-math/linear-algebra';
11
11
  import { StructureElement, StructureProperties } from '../../../mol-model/structure';
12
12
  export var ConfalPyramidsUtil;
@@ -30,22 +30,17 @@ export var ConfalPyramidsUtil;
30
30
  return prop.data.hasMultipleModels;
31
31
  }
32
32
  ConfalPyramidsUtil.hasMultipleModels = hasMultipleModels;
33
- function getPossibleAltIdsIndices(eIFirst, eILast, structure, unit) {
34
- var loc = StructureElement.Location.create(structure, unit, -1);
35
- var uIFirst = OrderedSet.indexOf(unit.elements, eIFirst);
36
- var uILast = OrderedSet.indexOf(unit.elements, eILast);
33
+ function getPossibleAltIds(residue, structure, unit) {
37
34
  var possibleAltIds = [];
38
- for (var uI = uIFirst; uI <= uILast; uI++) {
39
- loc.element = unit.elements[uI];
35
+ var loc = StructureElement.Location.create(structure, unit, -1);
36
+ for (var rI = residue.start; rI <= residue.end - 1; rI++) {
37
+ loc.element = unit.elements[rI];
40
38
  var altId = StructureProperties.atom.label_alt_id(loc);
41
39
  if (altId !== '' && !possibleAltIds.includes(altId))
42
40
  possibleAltIds.push(altId);
43
41
  }
44
42
  return possibleAltIds;
45
43
  }
46
- function getPossibleAltIdsResidue(residue, structure, unit) {
47
- return getPossibleAltIdsIndices(unit.elements[residue.start], unit.elements[residue.end - 1], structure, unit);
48
- }
49
44
  var Utility = /** @class */ (function () {
50
45
  function Utility(unit) {
51
46
  var prop = ConfalPyramidsProvider.get(unit.model).value;
@@ -86,18 +81,22 @@ export var ConfalPyramidsUtil;
86
81
  return _this;
87
82
  }
88
83
  UnitWalker.prototype.getAtomIndices = function (names, residue) {
89
- var rI = residue.start;
90
- var rILast = residue.end - 1;
91
84
  var indices = [];
92
- for (; rI !== rILast; rI++) {
93
- var eI = this.unit.elements[rI];
94
- var loc = StructureElement.Location.create(this.structure, this.unit, eI);
85
+ var loc = StructureElement.Location.create(this.structure, this.unit, -1);
86
+ for (var rI = residue.start; rI <= residue.end - 1; rI++) {
87
+ loc.element = this.unit.elements[rI];
95
88
  var thisName = StructureProperties.atom.label_atom_id(loc);
96
89
  if (names.includes(thisName))
97
- indices.push(eI);
90
+ indices.push(loc.element);
91
+ }
92
+ if (indices.length === 0) {
93
+ var namesStr = '';
94
+ for (var _i = 0, names_1 = names; _i < names_1.length; _i++) {
95
+ var n = names_1[_i];
96
+ namesStr += "".concat(n, " ");
97
+ }
98
+ throw new Error("Element [".concat(namesStr, "] not found on residue ").concat(residue.index));
98
99
  }
99
- if (indices.length === 0)
100
- throw new Error("Element ".concat(name, " not found on residue ").concat(residue.index));
101
100
  return indices;
102
101
  };
103
102
  UnitWalker.prototype.getAtomPositions = function (indices) {
@@ -201,10 +200,10 @@ export var ConfalPyramidsUtil;
201
200
  return altPos;
202
201
  };
203
202
  UnitWalker.prototype.step = function (residue) {
204
- var firstPossibleAltIds = getPossibleAltIdsResidue(residue, this.structure, this.unit);
203
+ var firstPossibleAltIds = getPossibleAltIds(residue, this.structure, this.unit);
205
204
  var firstAtoms = this.processFirstResidue(residue, firstPossibleAltIds);
206
205
  residue = this.residueIt.move();
207
- var secondPossibleAltIds = getPossibleAltIdsResidue(residue, this.structure, this.unit);
206
+ var secondPossibleAltIds = getPossibleAltIds(residue, this.structure, this.unit);
208
207
  var secondAtoms = this.processSecondResidue(residue, secondPossibleAltIds);
209
208
  return { firstAtoms: firstAtoms, secondAtoms: secondAtoms };
210
209
  };
@@ -24,6 +24,7 @@ declare const AssemblySymmetry3D: StateTransformer<PluginStateObject.Molecule.St
24
24
  flatShaded: boolean;
25
25
  ignoreLight: boolean;
26
26
  xrayShaded: boolean;
27
+ allowTransparentBackfaces: boolean;
27
28
  bumpFrequency: number;
28
29
  bumpAmplitude: number;
29
30
  alpha: number;
@@ -16,6 +16,7 @@ export declare const AssemblySymmetryParams: {
16
16
  flatShaded: PD.BooleanParam;
17
17
  ignoreLight: PD.BooleanParam;
18
18
  xrayShaded: PD.BooleanParam;
19
+ allowTransparentBackfaces: PD.BooleanParam;
19
20
  bumpFrequency: PD.Numeric;
20
21
  bumpAmplitude: PD.Numeric;
21
22
  alpha: PD.Numeric;
@@ -31,6 +31,7 @@ export declare const IntraUnitClashParams: {
31
31
  flatShaded: PD.BooleanParam;
32
32
  ignoreLight: PD.BooleanParam;
33
33
  xrayShaded: PD.BooleanParam;
34
+ allowTransparentBackfaces: PD.BooleanParam;
34
35
  bumpFrequency: PD.Numeric;
35
36
  bumpAmplitude: PD.Numeric;
36
37
  alpha: PD.Numeric;
@@ -73,6 +74,7 @@ export declare const InterUnitClashParams: {
73
74
  flatShaded: PD.BooleanParam;
74
75
  ignoreLight: PD.BooleanParam;
75
76
  xrayShaded: PD.BooleanParam;
77
+ allowTransparentBackfaces: PD.BooleanParam;
76
78
  bumpFrequency: PD.Numeric;
77
79
  bumpAmplitude: PD.Numeric;
78
80
  alpha: PD.Numeric;
@@ -116,6 +118,7 @@ export declare const ClashesParams: {
116
118
  flatShaded: PD.BooleanParam;
117
119
  ignoreLight: PD.BooleanParam;
118
120
  xrayShaded: PD.BooleanParam;
121
+ allowTransparentBackfaces: PD.BooleanParam;
119
122
  bumpFrequency: PD.Numeric;
120
123
  bumpAmplitude: PD.Numeric;
121
124
  alpha: PD.Numeric;
@@ -158,6 +161,7 @@ export declare function getClashesParams(ctx: ThemeRegistryContext, structure: S
158
161
  flatShaded: PD.BooleanParam;
159
162
  ignoreLight: PD.BooleanParam;
160
163
  xrayShaded: PD.BooleanParam;
164
+ allowTransparentBackfaces: PD.BooleanParam;
161
165
  bumpFrequency: PD.Numeric;
162
166
  bumpAmplitude: PD.Numeric;
163
167
  alpha: PD.Numeric;
@@ -201,6 +205,7 @@ export declare const ClashesRepresentationProvider: StructureRepresentationProvi
201
205
  flatShaded: PD.BooleanParam;
202
206
  ignoreLight: PD.BooleanParam;
203
207
  xrayShaded: PD.BooleanParam;
208
+ allowTransparentBackfaces: PD.BooleanParam;
204
209
  bumpFrequency: PD.Numeric;
205
210
  bumpAmplitude: PD.Numeric;
206
211
  alpha: PD.Numeric;
@@ -166,6 +166,7 @@ export declare const Canvas3DParams: {
166
166
  flipSided: any;
167
167
  flatShaded: any;
168
168
  xrayShaded: any;
169
+ allowTransparentBackfaces: any;
169
170
  bumpFrequency: any;
170
171
  bumpAmplitude: any;
171
172
  quality: any;
@@ -319,6 +320,7 @@ export declare const DefaultCanvas3DParams: PD.Values<{
319
320
  flipSided: any;
320
321
  flatShaded: any;
321
322
  xrayShaded: any;
323
+ allowTransparentBackfaces: any;
322
324
  bumpFrequency: any;
323
325
  bumpAmplitude: any;
324
326
  quality: any;
@@ -22,6 +22,7 @@ export declare const CameraHelperParams: {
22
22
  flipSided: boolean;
23
23
  flatShaded: boolean;
24
24
  xrayShaded: boolean;
25
+ allowTransparentBackfaces: boolean;
25
26
  bumpFrequency: number;
26
27
  bumpAmplitude: number;
27
28
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
@@ -24,6 +24,7 @@ export declare const HandleHelperParams: {
24
24
  flipSided: boolean;
25
25
  flatShaded: boolean;
26
26
  xrayShaded: boolean;
27
+ allowTransparentBackfaces: boolean;
27
28
  bumpFrequency: number;
28
29
  bumpAmplitude: number;
29
30
  quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
@@ -33,6 +33,7 @@ export declare const HelperParams: {
33
33
  flipSided: any;
34
34
  flatShaded: any;
35
35
  xrayShaded: any;
36
+ allowTransparentBackfaces: any;
36
37
  bumpFrequency: any;
37
38
  bumpAmplitude: any;
38
39
  quality: any;
@@ -65,6 +66,7 @@ export declare const DefaultHelperProps: PD.Values<{
65
66
  flipSided: any;
66
67
  flatShaded: any;
67
68
  xrayShaded: any;
69
+ allowTransparentBackfaces: any;
68
70
  bumpFrequency: any;
69
71
  bumpAmplitude: any;
70
72
  quality: any;
@@ -60,6 +60,7 @@ export declare const ImageParams: {
60
60
  flipSided: any;
61
61
  flatShaded: any;
62
62
  xrayShaded: any;
63
+ allowTransparentBackfaces: any;
63
64
  bumpFrequency: any;
64
65
  bumpAmplitude: any;
65
66
  quality: any;