molstar 2.3.5 → 2.3.9

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 (1658) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +176 -176
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +94 -94
  5. package/build/viewer/molstar.css +1 -2
  6. package/build/viewer/molstar.js +1 -1
  7. package/lib/apps/docking-viewer/index.html +36 -36
  8. package/lib/apps/docking-viewer/index.js +1 -1
  9. package/lib/apps/docking-viewer/index.js.map +1 -1
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.d.ts +290 -1
  12. package/lib/apps/viewer/index.html +94 -94
  13. package/lib/apps/viewer/index.js +91 -5
  14. package/lib/apps/viewer/index.js.map +1 -1
  15. package/lib/cli/chem-comp-dict/create-ions.js +1 -1
  16. package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
  17. package/lib/cli/chem-comp-dict/create-table.js +3 -3
  18. package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
  19. package/lib/cli/chem-comp-dict/util.js +2 -2
  20. package/lib/cli/chem-comp-dict/util.js.map +1 -1
  21. package/lib/cli/cif2bcif/converter.js +2 -2
  22. package/lib/cli/cif2bcif/converter.js.map +1 -1
  23. package/lib/cli/cifschema/index.js +12 -12
  24. package/lib/cli/cifschema/index.js.map +1 -1
  25. package/lib/cli/cifschema/util/cif-dic.js +19 -19
  26. package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
  27. package/lib/cli/cifschema/util/generate.js +21 -21
  28. package/lib/cli/cifschema/util/generate.js.map +1 -1
  29. package/lib/cli/cifschema/util/schema.js +1 -1
  30. package/lib/cli/cifschema/util/schema.js.map +1 -1
  31. package/lib/cli/lipid-params/index.js +3 -3
  32. package/lib/cli/lipid-params/index.js.map +1 -1
  33. package/lib/cli/state-docs/index.js +4 -4
  34. package/lib/cli/state-docs/index.js.map +1 -1
  35. package/lib/cli/state-docs/pd-to-md.js +10 -10
  36. package/lib/cli/state-docs/pd-to-md.js.map +1 -1
  37. package/lib/cli/structure-info/model.js +18 -18
  38. package/lib/cli/structure-info/model.js.map +1 -1
  39. package/lib/cli/structure-info/volume.js +1 -1
  40. package/lib/cli/structure-info/volume.js.map +1 -1
  41. package/lib/commonjs/apps/docking-viewer/index.js +1 -1
  42. package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
  43. package/lib/commonjs/apps/viewer/index.d.ts +289 -0
  44. package/lib/commonjs/apps/viewer/index.js +91 -5
  45. package/lib/commonjs/apps/viewer/index.js.map +1 -1
  46. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
  47. package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
  48. package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
  49. package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
  50. package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
  51. package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
  52. package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
  53. package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
  54. package/lib/commonjs/cli/cif2bcif/index.js +0 -0
  55. package/lib/commonjs/cli/cifschema/index.js +12 -12
  56. package/lib/commonjs/cli/cifschema/index.js.map +1 -1
  57. package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
  58. package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
  59. package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
  60. package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
  61. package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
  62. package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
  63. package/lib/commonjs/cli/lipid-params/index.js +3 -3
  64. package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
  65. package/lib/commonjs/cli/state-docs/index.js +4 -4
  66. package/lib/commonjs/cli/state-docs/index.js.map +1 -1
  67. package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
  68. package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
  69. package/lib/commonjs/cli/structure-info/model.js +18 -18
  70. package/lib/commonjs/cli/structure-info/model.js.map +1 -1
  71. package/lib/commonjs/cli/structure-info/volume.js +1 -1
  72. package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
  73. package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
  74. package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
  75. package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
  76. package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
  77. package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
  78. package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
  79. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
  80. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
  81. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
  82. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
  83. package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
  84. package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
  85. package/lib/commonjs/examples/task.js +6 -6
  86. package/lib/commonjs/examples/task.js.map +1 -1
  87. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
  88. package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
  89. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  90. package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
  91. package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
  92. package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
  93. package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
  94. package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
  95. package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
  96. package/lib/commonjs/extensions/cellpack/curve.js +2 -2
  97. package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
  98. package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
  99. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  100. package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
  101. package/lib/commonjs/extensions/cellpack/model.js +203 -65
  102. package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
  103. package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
  104. package/lib/commonjs/extensions/cellpack/preset.js +12 -15
  105. package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
  106. package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
  107. package/lib/commonjs/extensions/cellpack/property.js +1 -1
  108. package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
  109. package/lib/commonjs/extensions/cellpack/representation.js +47 -0
  110. package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
  111. package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
  112. package/lib/commonjs/extensions/cellpack/state.js +234 -27
  113. package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
  114. package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
  115. package/lib/commonjs/extensions/cellpack/util.js +34 -6
  116. package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
  117. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
  118. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
  119. package/lib/commonjs/extensions/g3d/data.js +2 -2
  120. package/lib/commonjs/extensions/g3d/data.js.map +1 -1
  121. package/lib/commonjs/extensions/g3d/model.js +2 -2
  122. package/lib/commonjs/extensions/g3d/model.js.map +1 -1
  123. package/lib/commonjs/extensions/geo-export/controls.js +2 -2
  124. package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
  125. package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
  126. package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
  127. package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
  128. package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
  129. package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
  130. package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
  131. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
  132. package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
  133. package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
  134. package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
  135. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  136. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
  137. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
  138. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
  139. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
  140. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
  141. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
  142. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
  143. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
  144. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
  145. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
  146. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
  147. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
  148. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
  149. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
  150. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
  151. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
  152. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
  153. package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
  154. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +15 -0
  155. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  156. package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
  157. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
  158. package/lib/commonjs/mol-canvas3d/canvas3d.js +3 -3
  159. package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
  160. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +2 -2
  161. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
  162. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
  163. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  164. package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
  165. package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
  166. package/lib/commonjs/mol-canvas3d/util.js +1 -1
  167. package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
  168. package/lib/commonjs/mol-data/db/table.js +1 -1
  169. package/lib/commonjs/mol-data/db/table.js.map +1 -1
  170. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
  171. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
  172. package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
  173. package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
  174. package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
  175. package/lib/commonjs/mol-data/int/tuple.js +1 -1
  176. package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
  177. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
  178. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
  179. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
  180. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
  181. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
  182. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
  183. package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
  184. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
  185. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
  186. package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
  187. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
  188. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
  189. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
  190. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  191. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
  192. package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
  193. package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
  194. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  195. package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
  196. package/lib/commonjs/mol-gl/_spec/cylinders.spec.d.ts +6 -0
  197. package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
  198. package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
  199. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
  200. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
  201. package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
  202. package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
  203. package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
  204. package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
  205. package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
  206. package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
  207. package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
  208. package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
  209. package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
  210. package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
  211. package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
  212. package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
  213. package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
  214. package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
  215. package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
  216. package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
  217. package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
  218. package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
  219. package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
  220. package/lib/commonjs/mol-gl/_spec/renderer.spec.js +7 -45
  221. package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
  222. package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
  223. package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
  224. package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
  225. package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
  226. package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
  227. package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
  228. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
  229. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
  230. package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
  231. package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
  232. package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
  233. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
  234. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
  235. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  236. package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
  237. package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
  238. package/lib/commonjs/mol-gl/scene.js +1 -1
  239. package/lib/commonjs/mol-gl/scene.js.map +1 -1
  240. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
  241. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
  242. package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
  243. package/lib/commonjs/mol-gl/shader-code.js +8 -8
  244. package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
  245. package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
  246. package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
  247. package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
  248. package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
  249. package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
  250. package/lib/commonjs/mol-gl/webgl/context.js +6 -4
  251. package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
  252. package/lib/commonjs/mol-gl/webgl/extensions.js +5 -1
  253. package/lib/commonjs/mol-gl/webgl/extensions.js.map +1 -1
  254. package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
  255. package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
  256. package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
  257. package/lib/commonjs/mol-gl/webgl/program.js +14 -12
  258. package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
  259. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
  260. package/lib/commonjs/mol-gl/webgl/render-item.js +2 -2
  261. package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
  262. package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
  263. package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
  264. package/lib/commonjs/mol-gl/webgl/shader.js +3 -3
  265. package/lib/commonjs/mol-gl/webgl/shader.js.map +1 -1
  266. package/lib/commonjs/mol-gl/webgl/state.d.ts +4 -1
  267. package/lib/commonjs/mol-gl/webgl/state.js +25 -1
  268. package/lib/commonjs/mol-gl/webgl/state.js.map +1 -1
  269. package/lib/commonjs/mol-gl/webgl/texture.js +2 -2
  270. package/lib/commonjs/mol-gl/webgl/texture.js.map +1 -1
  271. package/lib/commonjs/mol-gl/webgl/uniform.js +2 -2
  272. package/lib/commonjs/mol-gl/webgl/uniform.js.map +1 -1
  273. package/lib/commonjs/mol-io/common/file-handle.js +1 -1
  274. package/lib/commonjs/mol-io/common/file-handle.js.map +1 -1
  275. package/lib/commonjs/mol-io/common/typed-array.js +1 -1
  276. package/lib/commonjs/mol-io/common/typed-array.js.map +1 -1
  277. package/lib/commonjs/mol-io/reader/ccp4/parser.js +1 -1
  278. package/lib/commonjs/mol-io/reader/ccp4/parser.js.map +1 -1
  279. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -1
  280. package/lib/commonjs/mol-io/reader/cif/binary/parser.js.map +1 -1
  281. package/lib/commonjs/mol-io/reader/cif/data-model.js +7 -7
  282. package/lib/commonjs/mol-io/reader/cif/data-model.js.map +1 -1
  283. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
  284. package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +2 -2
  285. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +1 -1
  286. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +12 -12
  287. package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
  288. package/lib/commonjs/mol-io/reader/cif/schema.js.map +1 -1
  289. package/lib/commonjs/mol-io/reader/cif/text/parser.js +2 -2
  290. package/lib/commonjs/mol-io/reader/cif/text/parser.js.map +1 -1
  291. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
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@@ -14,14 +14,17 @@ export declare const IntraUnitBondCylinderParams: {
14
14
  tryUseImpostor: PD.BooleanParam;
15
15
  includeParent: PD.BooleanParam;
16
16
  adjustCylinderLength: PD.BooleanParam;
17
- includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
18
- excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
17
+ includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
18
+ excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
19
19
  ignoreHydrogens: PD.BooleanParam;
20
20
  aromaticBonds: PD.BooleanParam;
21
21
  multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
22
22
  linkScale: PD.Numeric;
23
23
  linkSpacing: PD.Numeric;
24
24
  linkCap: PD.BooleanParam;
25
+ aromaticScale: PD.Numeric;
26
+ aromaticSpacing: PD.Numeric;
27
+ aromaticDashCount: PD.Numeric;
25
28
  dashCount: PD.Numeric;
26
29
  dashScale: PD.Numeric;
27
30
  dashCap: PD.BooleanParam;
@@ -43,14 +46,17 @@ export declare function IntraUnitBondCylinderVisual(materialId: number, structur
43
46
  tryUseImpostor: PD.BooleanParam;
44
47
  includeParent: PD.BooleanParam;
45
48
  adjustCylinderLength: PD.BooleanParam;
46
- includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
47
- excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
49
+ includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
50
+ excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
48
51
  ignoreHydrogens: PD.BooleanParam;
49
52
  aromaticBonds: PD.BooleanParam;
50
53
  multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
51
54
  linkScale: PD.Numeric;
52
55
  linkSpacing: PD.Numeric;
53
56
  linkCap: PD.BooleanParam;
57
+ aromaticScale: PD.Numeric;
58
+ aromaticSpacing: PD.Numeric;
59
+ aromaticDashCount: PD.Numeric;
54
60
  dashCount: PD.Numeric;
55
61
  dashScale: PD.Numeric;
56
62
  dashCap: PD.BooleanParam;
@@ -198,6 +198,9 @@ function IntraUnitBondCylinderImpostorVisual(materialId) {
198
198
  newProps.linkSpacing !== currentProps.linkSpacing ||
199
199
  newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
200
200
  newProps.linkCap !== currentProps.linkCap ||
201
+ newProps.aromaticScale !== currentProps.aromaticScale ||
202
+ newProps.aromaticSpacing !== currentProps.aromaticSpacing ||
203
+ newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
201
204
  newProps.dashCount !== currentProps.dashCount ||
202
205
  newProps.dashScale !== currentProps.dashScale ||
203
206
  newProps.dashCap !== currentProps.dashCap ||
@@ -239,6 +242,9 @@ function IntraUnitBondCylinderMeshVisual(materialId) {
239
242
  newProps.linkSpacing !== currentProps.linkSpacing ||
240
243
  newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
241
244
  newProps.linkCap !== currentProps.linkCap ||
245
+ newProps.aromaticScale !== currentProps.aromaticScale ||
246
+ newProps.aromaticSpacing !== currentProps.aromaticSpacing ||
247
+ newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
242
248
  newProps.dashCount !== currentProps.dashCount ||
243
249
  newProps.dashScale !== currentProps.dashScale ||
244
250
  newProps.dashCap !== currentProps.dashCap ||
@@ -1 +1 @@
1
- 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@@ -7,13 +7,14 @@ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
7
7
  import { UnitsVisual } from '../units-visual';
8
8
  export declare const IntraUnitBondLineParams: {
9
9
  includeParent: PD.BooleanParam;
10
- includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
11
- excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
10
+ includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
11
+ excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
12
12
  ignoreHydrogens: PD.BooleanParam;
13
13
  aromaticBonds: PD.BooleanParam;
14
14
  multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
15
15
  linkScale: PD.Numeric;
16
16
  linkSpacing: PD.Numeric;
17
+ aromaticDashCount: PD.Numeric;
17
18
  dashCount: PD.Numeric;
18
19
  unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
19
20
  sizeFactor: PD.Numeric;
@@ -135,6 +135,7 @@ function IntraUnitBondLineVisual(materialId) {
135
135
  state.createGeometry = (newProps.sizeFactor !== currentProps.sizeFactor ||
136
136
  newProps.linkScale !== currentProps.linkScale ||
137
137
  newProps.linkSpacing !== currentProps.linkSpacing ||
138
+ newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
138
139
  newProps.dashCount !== currentProps.dashCount ||
139
140
  newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
140
141
  !(0, mol_util_1.arrayEqual)(newProps.includeTypes, currentProps.includeTypes) ||
@@ -1 +1 @@
1
- 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@@ -10,6 +10,9 @@ export declare const CarbohydrateLinkParams: {
10
10
  linkScale: PD.Numeric;
11
11
  linkSpacing: PD.Numeric;
12
12
  linkCap: PD.BooleanParam;
13
+ aromaticScale: PD.Numeric;
14
+ aromaticSpacing: PD.Numeric;
15
+ aromaticDashCount: PD.Numeric;
13
16
  dashCount: PD.Numeric;
14
17
  dashScale: PD.Numeric;
15
18
  dashCap: PD.BooleanParam;
@@ -10,6 +10,9 @@ export declare const CarbohydrateTerminalLinkParams: {
10
10
  linkScale: PD.Numeric;
11
11
  linkSpacing: PD.Numeric;
12
12
  linkCap: PD.BooleanParam;
13
+ aromaticScale: PD.Numeric;
14
+ aromaticSpacing: PD.Numeric;
15
+ aromaticDashCount: PD.Numeric;
13
16
  dashCount: PD.Numeric;
14
17
  dashScale: PD.Numeric;
15
18
  dashCap: PD.BooleanParam;
@@ -22,7 +22,7 @@ export declare const GaussianDensityVolumeParams: {
22
22
  renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
23
23
  controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
24
24
  list: {
25
- kind: "set" | "interpolate";
25
+ kind: "interpolate" | "set";
26
26
  colors: import("../../../mol-util/color/color").ColorListEntry[];
27
27
  };
28
28
  }>, "volume"> | PD.NamedParams<PD.Normalize<{
@@ -58,7 +58,7 @@ export declare const UnitsGaussianDensityVolumeParams: {
58
58
  renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
59
59
  controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
60
60
  list: {
61
- kind: "set" | "interpolate";
61
+ kind: "interpolate" | "set";
62
62
  colors: import("../../../mol-util/color/color").ColorListEntry[];
63
63
  };
64
64
  }>, "volume"> | PD.NamedParams<PD.Normalize<{
@@ -12,10 +12,10 @@ export declare const GaussianSurfaceMeshParams: {
12
12
  ignoreHydrogens: PD.BooleanParam;
13
13
  tryUseGpu: PD.BooleanParam;
14
14
  includeParent: PD.BooleanParam;
15
- smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
15
+ smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "off"> | PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
16
16
  resolutionFactor: number;
17
17
  sampleStride: number;
18
- }>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
18
+ }>, "on">>;
19
19
  traceOnly: PD.BooleanParam;
20
20
  resolution: PD.Numeric;
21
21
  radiusOffset: PD.Numeric;
@@ -34,10 +34,10 @@ export declare const StructureGaussianSurfaceMeshParams: {
34
34
  ignoreHydrogens: PD.BooleanParam;
35
35
  tryUseGpu: PD.BooleanParam;
36
36
  includeParent: PD.BooleanParam;
37
- smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
37
+ smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "off"> | PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
38
38
  resolutionFactor: number;
39
39
  sampleStride: number;
40
- }>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
40
+ }>, "on">>;
41
41
  traceOnly: PD.BooleanParam;
42
42
  resolution: PD.Numeric;
43
43
  radiusOffset: PD.Numeric;
@@ -56,10 +56,10 @@ export declare function GaussianSurfaceVisual(materialId: number, structure: Str
56
56
  ignoreHydrogens: PD.BooleanParam;
57
57
  tryUseGpu: PD.BooleanParam;
58
58
  includeParent: PD.BooleanParam;
59
- smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
59
+ smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "off"> | PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
60
60
  resolutionFactor: number;
61
61
  sampleStride: number;
62
- }>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
62
+ }>, "on">>;
63
63
  traceOnly: PD.BooleanParam;
64
64
  resolution: PD.Numeric;
65
65
  radiusOffset: PD.Numeric;
@@ -77,10 +77,10 @@ export declare function StructureGaussianSurfaceVisual(materialId: number, struc
77
77
  ignoreHydrogens: PD.BooleanParam;
78
78
  tryUseGpu: PD.BooleanParam;
79
79
  includeParent: PD.BooleanParam;
80
- smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
80
+ smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "off"> | PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
81
81
  resolutionFactor: number;
82
82
  sampleStride: number;
83
- }>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
83
+ }>, "on">>;
84
84
  traceOnly: PD.BooleanParam;
85
85
  resolution: PD.Numeric;
86
86
  radiusOffset: PD.Numeric;
@@ -60,7 +60,7 @@ function createChainText(ctx, structure, theme, props, text) {
60
60
  linear_algebra_1.Vec3.transformMat4(tmpVec, center, unit.conformation.operator.matrix);
61
61
  var authId = auth_asym_id(l);
62
62
  var labelId = label_asym_id(l);
63
- var text_1 = authId === labelId ? labelId : labelId + " [" + authId + "]";
63
+ var text_1 = authId === labelId ? labelId : "".concat(labelId, " [").concat(authId, "]");
64
64
  builder.add(text_1, tmpVec[0], tmpVec[1], tmpVec[2], radius, chainScale, cumulativeUnitElementCount[i]);
65
65
  }
66
66
  return builder.getText();
@@ -103,7 +103,7 @@ function createResidueText(ctx, structure, theme, props, text) {
103
103
  var _a = boundaryHelper.getSphere(), center = _a.center, radius = _a.radius;
104
104
  var authSeqId = auth_seq_id(l);
105
105
  var compId = label_comp_id(l);
106
- var text_2 = compId + " " + authSeqId;
106
+ var text_2 = "".concat(compId, " ").concat(authSeqId);
107
107
  builder.add(text_2, center[0], center[1], center[2], radius, residueScale, groupOffset + start);
108
108
  }
109
109
  }
@@ -129,7 +129,7 @@ function createElementText(ctx, structure, theme, props, text) {
129
129
  pos(l.element, tmpVec);
130
130
  var atomId = label_atom_id(l);
131
131
  var altId = label_alt_id(l);
132
- var text_3 = altId ? atomId + "%" + altId : atomId;
132
+ var text_3 = altId ? "".concat(atomId, "%").concat(altId) : atomId;
133
133
  builder.add(text_3, tmpVec[0], tmpVec[1], tmpVec[2], sizeTheme.size(l), elementScale, groupOffset + j);
134
134
  }
135
135
  }
@@ -1 +1 @@
1
- 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{"version":3,"file":"label-text.js","sourceRoot":"","sources":["../../../../../src/mol-repr/structure/visual/label-text.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,uEAA2E;AAG3E,0DAAgG;AAGhG,4EAA0E;AAC1E,oDAAwF;AACxF,0CAA0F;AAC1F,uDAA2D;AAC3D,mEAAwD;AACxD,6DAAqE;AACrE,8EAA4E;AAE/D,QAAA,eAAe,mDACrB,kCAAiB,KACpB,UAAU,EAAE,kCAAE,CAAC,OAAO,CAAC,IAAI,CAAC,EAC5B,gBAAgB,EAAE,kCAAE,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC,EAC/D,eAAe,EAAE,kCAAE,CAAC,KAAK,CAAC,kBAAU,CAAC,KAAK,CAAC,EAC3C,iBAAiB,EAAE,kCAAE,CAAC,OAAO,CAAC,GAAG,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC,EAClE,KAAK,EAAE,kCAAE,CAAC,MAAM,CAAC,SAAS,EAAE,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,EAAE,CAAC,SAAS,EAAE,SAAS,CAAC,EAAE,CAAC,SAAS,EAAE,SAAS,CAAC,CAAU,CAAC,EAC1G,UAAU,EAAE,kCAAE,CAAC,OAAO,CAAC,EAAE,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,GAAG,EAAE,CAAC,EAC1D,YAAY,EAAE,kCAAE,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,GAAG,EAAE,CAAC,EAC3D,YAAY,EAAE,kCAAE,CAAC,OAAO,CAAC,GAAG,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,GAAG,EAAE,CAAC,IAC/D;AAKF,SAAgB,eAAe,CAAC,UAAkB;IAC9C,OAAO,IAAA,kCAAiB,EAAkB;QACtC,YAAY,EAAE,kCAAE,CAAC,gBAAgB,CAAC,uBAAe,CAAC;QAClD,cAAc,EAAE,eAAe;QAC/B,sBAAsB,EAAE,yBAAe,CAAC,aAAa;QACrD,OAAO,EAAE,8BAAoB;QAC7B,YAAY,EAAE,2BAAiB;QAC/B,cAAc,EAAE,UAAC,KAAwB,EAAE,QAAoC,EAAE,YAAwC;YACrH,KAAK,CAAC,cAAc,GAAG,CACnB,QAAQ,CAAC,KAAK,KAAK,YAAY,CAAC,KAAK;gBACrC,CAAC,QAAQ,CAAC,KAAK,KAAK,OAAO,IAAI,QAAQ,CAAC,UAAU,KAAK,YAAY,CAAC,UAAU,CAAC;gBAC/E,CAAC,QAAQ,CAAC,KAAK,KAAK,SAAS,IAAI,QAAQ,CAAC,YAAY,KAAK,YAAY,CAAC,YAAY,CAAC;gBACrF,CAAC,QAAQ,CAAC,KAAK,KAAK,SAAS,IAAI,QAAQ,CAAC,YAAY,KAAK,YAAY,CAAC,YAAY,CAAC,CACxF,CAAC;QACN,CAAC;KACJ,EAAE,UAAU,CAAC,CAAC;AACnB,CAAC;AAhBD,0CAgBC;AAED,SAAS,eAAe,CAAC,GAAkB,EAAE,SAAoB,EAAE,KAAY,EAAE,KAAqB,EAAE,IAAW;IAE/G,QAAQ,KAAK,CAAC,KAAK,EAAE;QACjB,KAAK,OAAO,CAAC,CAAC,OAAO,eAAe,CAAC,GAAG,EAAE,SAAS,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,CAAC,CAAC;QACzE,KAAK,SAAS,CAAC,CAAC,OAAO,iBAAiB,CAAC,GAAG,EAAE,SAAS,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,CAAC,CAAC;QAC7E,KAAK,SAAS,CAAC,CAAC,OAAO,iBAAiB,CAAC,GAAG,EAAE,SAAS,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,CAAC,CAAC;KAChF;AACL,CAAC;AAED,EAAE;AAEF,IAAM,MAAM,GAAG,IAAA,qBAAI,GAAE,CAAC;AACtB,IAAM,cAAc,GAAG,IAAI,gCAAc,CAAC,IAAI,CAAC,CAAC;AAEhD,SAAS,eAAe,CAAC,GAAkB,EAAE,SAAoB,EAAE,KAAY,EAAE,KAAqB,EAAE,IAAW;IAC/G,IAAM,CAAC,GAAG,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;IAC9C,IAAA,KAAK,GAAoB,SAAS,MAA7B,EAAE,aAAa,GAAK,SAAS,cAAd,CAAe;IACrC,IAAA,KAAkC,+BAAmB,CAAC,KAAK,EAAzD,YAAY,kBAAA,EAAE,aAAa,mBAA8B,CAAC;IAC1D,IAAA,0BAA0B,GAAK,aAAa,2BAAlB,CAAmB;IAErD,IAAM,KAAK,GAAG,KAAK,CAAC,MAAM,CAAC;IACnB,IAAA,UAAU,GAAK,KAAK,WAAV,CAAW;IAC7B,IAAM,OAAO,GAAG,0BAAW,CAAC,MAAM,CAAC,KAAK,EAAE,KAAK,EAAE,KAAK,GAAG,CAAC,EAAE,IAAI,CAAC,CAAC;IAElE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAC5C,IAAM,IAAI,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;QACtB,CAAC,CAAC,IAAI,GAAG,IAAI,CAAC;QACd,CAAC,CAAC,OAAO,GAAG,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;QACvB,IAAA,KAAqB,IAAI,CAAC,QAAQ,CAAC,QAAQ,CAAC,MAAM,EAAhD,MAAM,YAAA,EAAE,MAAM,YAAkC,CAAC;QACzD,qBAAI,CAAC,aAAa,CAAC,MAAM,EAAE,MAAM,EAAE,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC;QACtE,IAAM,MAAM,GAAG,YAAY,CAAC,CAAC,CAAC,CAAC;QAC/B,IAAM,OAAO,GAAG,aAAa,CAAC,CAAC,CAAC,CAAC;QACjC,IAAM,MAAI,GAAG,MAAM,KAAK,OAAO,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,UAAG,OAAO,eAAK,MAAM,MAAG,CAAC;QACrE,OAAO,CAAC,GAAG,CAAC,MAAI,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,MAAM,EAAE,UAAU,EAAE,0BAA0B,CAAC,CAAC,CAAC,CAAC,CAAC;KACzG;IAED,OAAO,OAAO,CAAC,OAAO,EAAE,CAAC;AAC7B,CAAC;AAED,SAAS,iBAAiB,CAAC,GAAkB,EAAE,SAAoB,EAAE,KAAY,EAAE,KAAqB,EAAE,IAAW;IACjH,IAAM,CAAC,GAAG,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;IAC9C,IAAA,KAAK,GAAoB,SAAS,MAA7B,EAAE,aAAa,GAAK,SAAS,cAAd,CAAe;IACnC,IAAA,aAAa,GAAK,+BAAmB,CAAC,IAAI,cAA7B,CAA8B;IAC3C,IAAA,WAAW,GAAK,+BAAmB,CAAC,OAAO,YAAhC,CAAiC;IAC5C,IAAA,0BAA0B,GAAK,aAAa,2BAAlB,CAAmB;IAErD,IAAM,KAAK,GAAG,SAAS,CAAC,mBAAmB,GAAG,CAAC,CAAC;IACxC,IAAA,YAAY,GAAK,KAAK,aAAV,CAAW;IAC/B,IAAM,OAAO,GAAG,0BAAW,CAAC,MAAM,CAAC,KAAK,EAAE,KAAK,EAAE,KAAK,GAAG,CAAC,EAAE,IAAI,CAAC,CAAC;IAElE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAC5C,IAAM,IAAI,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;QACtB,IAAM,GAAG,GAAG,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC;QAC/B,IAAA,QAAQ,GAAK,IAAI,SAAT,CAAU;QAC1B,CAAC,CAAC,IAAI,GAAG,IAAI,CAAC;QACd,CAAC,CAAC,OAAO,GAAG,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;QAE7B,IAAM,YAAY,GAAG,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,mBAAmB,CAAC,KAAK,CAAC;QAC1E,IAAM,WAAW,GAAG,0BAA0B,CAAC,CAAC,CAAC,CAAC;QAElD,IAAI,CAAC,GAAG,CAAC,CAAC;QACV,IAAM,EAAE,GAAG,QAAQ,CAAC,MAAM,CAAC;QAC3B,OAAO,CAAC,GAAG,EAAE,EAAE;YACX,IAAM,KAAK,GAAG,CAAC,EAAE,EAAE,GAAG,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC;YAChD,CAAC,EAAE,CAAC;YACJ,OAAO,CAAC,GAAG,EAAE,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE;gBAAE,CAAC,EAAE,CAAC;YAEvD,cAAc,CAAC,KAAK,EAAE,CAAC;YACvB,KAAK,IAAI,EAAE,GAAG,KAAK,EAAE,EAAE,GAAG,CAAC,EAAE,EAAE,EA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@@ -6,10 +6,10 @@
6
6
  import { ParamDefinition as PD } from '../../../mol-util/param-definition';
7
7
  import { UnitsVisual } from '../units-visual';
8
8
  export declare const MolecularSurfaceMeshParams: {
9
- smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
9
+ smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "off"> | PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
10
10
  resolutionFactor: number;
11
11
  sampleStride: number;
12
- }>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
12
+ }>, "on">>;
13
13
  ignoreHydrogens: PD.BooleanParam;
14
14
  traceOnly: PD.BooleanParam;
15
15
  includeParent: PD.BooleanParam;
@@ -10,6 +10,7 @@ export declare const PolymerTraceMeshParams: {
10
10
  aspectRatio: PD.Numeric;
11
11
  arrowFactor: PD.Numeric;
12
12
  tubularHelices: PD.BooleanParam;
13
+ helixProfile: PD.Select<"square" | "elliptical" | "rounded">;
13
14
  detail: PD.Numeric;
14
15
  linearSegments: PD.Numeric;
15
16
  radialSegments: PD.Numeric;
@@ -19,6 +20,7 @@ export declare const DefaultPolymerTraceMeshProps: PD.Values<{
19
20
  aspectRatio: PD.Numeric;
20
21
  arrowFactor: PD.Numeric;
21
22
  tubularHelices: PD.BooleanParam;
23
+ helixProfile: PD.Select<"square" | "elliptical" | "rounded">;
22
24
  detail: PD.Numeric;
23
25
  linearSegments: PD.Numeric;
24
26
  radialSegments: PD.Numeric;
@@ -29,6 +31,7 @@ export declare const PolymerTraceParams: {
29
31
  aspectRatio: PD.Numeric;
30
32
  arrowFactor: PD.Numeric;
31
33
  tubularHelices: PD.BooleanParam;
34
+ helixProfile: PD.Select<"square" | "elliptical" | "rounded">;
32
35
  detail: PD.Numeric;
33
36
  linearSegments: PD.Numeric;
34
37
  radialSegments: PD.Numeric;
@@ -25,8 +25,9 @@ var geometry_1 = require("../../../mol-math/geometry");
25
25
  exports.PolymerTraceMeshParams = {
26
26
  sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 10, step: 0.01 }),
27
27
  aspectRatio: param_definition_1.ParamDefinition.Numeric(5, { min: 0.1, max: 10, step: 0.1 }),
28
- arrowFactor: param_definition_1.ParamDefinition.Numeric(1.5, { min: 0, max: 3, step: 0.1 }),
29
- tubularHelices: param_definition_1.ParamDefinition.Boolean(false),
28
+ arrowFactor: param_definition_1.ParamDefinition.Numeric(1.5, { min: 0, max: 3, step: 0.1 }, { description: 'Size factor for sheet arrows' }),
29
+ tubularHelices: param_definition_1.ParamDefinition.Boolean(false, { description: 'Draw alpha helices as tubes' }),
30
+ helixProfile: param_definition_1.ParamDefinition.Select('elliptical', param_definition_1.ParamDefinition.arrayToOptions(['elliptical', 'rounded', 'square']), { description: 'Protein and nucleic helix trace profile' }),
30
31
  detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo),
31
32
  linearSegments: param_definition_1.ParamDefinition.Numeric(8, { min: 1, max: 48, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo),
32
33
  radialSegments: param_definition_1.ParamDefinition.Numeric(16, { min: 2, max: 56, step: 2 }, base_1.BaseGeometry.CustomQualityParamInfo)
@@ -34,11 +35,10 @@ exports.PolymerTraceMeshParams = {
34
35
  exports.DefaultPolymerTraceMeshProps = param_definition_1.ParamDefinition.getDefaultValues(exports.PolymerTraceMeshParams);
35
36
  var tmpV1 = (0, linear_algebra_1.Vec3)();
36
37
  function createPolymerTraceMesh(ctx, unit, structure, theme, props, mesh) {
37
- var _a, _b, _c;
38
38
  var polymerElementCount = unit.polymerElements.length;
39
39
  if (!polymerElementCount)
40
40
  return mesh_1.Mesh.createEmpty(mesh);
41
- var sizeFactor = props.sizeFactor, detail = props.detail, linearSegments = props.linearSegments, radialSegments = props.radialSegments, aspectRatio = props.aspectRatio, arrowFactor = props.arrowFactor, tubularHelices = props.tubularHelices;
41
+ var sizeFactor = props.sizeFactor, detail = props.detail, linearSegments = props.linearSegments, radialSegments = props.radialSegments, aspectRatio = props.aspectRatio, arrowFactor = props.arrowFactor, tubularHelices = props.tubularHelices, helixProfile = props.helixProfile;
42
42
  var vertexCount = linearSegments * radialSegments * polymerElementCount + (radialSegments + 1) * polymerElementCount * 2;
43
43
  var builderState = mesh_builder_1.MeshBuilder.createState(vertexCount, vertexCount / 10, mesh);
44
44
  var isCoarse = structure_1.Unit.isCoarse(unit);
@@ -121,9 +121,6 @@ function createPolymerTraceMesh(ctx, unit, structure, theme, props, mesh) {
121
121
  h0 = w0 * aspectRatio;
122
122
  h1 = w1 * aspectRatio;
123
123
  h2 = w2 * aspectRatio;
124
- _a = [h0, w0], w0 = _a[0], h0 = _a[1];
125
- _b = [h1, w1], w1 = _b[0], h1 = _b[1];
126
- _c = [h2, w2], w2 = _c[0], h2 = _c[1];
127
124
  }
128
125
  else {
129
126
  h0 = w0;
@@ -131,22 +128,31 @@ function createPolymerTraceMesh(ctx, unit, structure, theme, props, mesh) {
131
128
  h2 = w2;
132
129
  }
133
130
  (0, polymer_1.interpolateSizes)(state, w0, w1, w2, h0, h1, h2, shift);
131
+ var _a = isNucleicType && !v.isCoarseBackbone ? [binormalVectors, normalVectors] : [normalVectors, binormalVectors], normals = _a[0], binormals = _a[1];
132
+ if (isNucleicType && !v.isCoarseBackbone) {
133
+ // TODO: find a cleaner way to swap normal and binormal for nucleic types
134
+ for (var i_1 = 0, il = normals.length; i_1 < il; i_1++)
135
+ normals[i_1] *= -1;
136
+ }
134
137
  if (radialSegments === 2) {
135
138
  if (isNucleicType && !v.isCoarseBackbone) {
136
- // TODO find a cleaner way to swap normal and binormal for nucleic types
137
- for (var i_1 = 0, il = binormalVectors.length; i_1 < il; i_1++)
138
- binormalVectors[i_1] *= -1;
139
- (0, ribbon_1.addRibbon)(builderState, curvePoints, binormalVectors, normalVectors, segmentCount, heightValues, widthValues, 0);
139
+ (0, ribbon_1.addRibbon)(builderState, curvePoints, normals, binormals, segmentCount, heightValues, widthValues, 0);
140
140
  }
141
141
  else {
142
- (0, ribbon_1.addRibbon)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, widthValues, heightValues, 0);
142
+ (0, ribbon_1.addRibbon)(builderState, curvePoints, normals, binormals, segmentCount, widthValues, heightValues, 0);
143
143
  }
144
144
  }
145
145
  else if (radialSegments === 4) {
146
- (0, sheet_1.addSheet)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, widthValues, heightValues, 0, startCap, endCap);
146
+ (0, sheet_1.addSheet)(builderState, curvePoints, normals, binormals, segmentCount, widthValues, heightValues, 0, startCap, endCap);
147
+ }
148
+ else if (h1 === w1) {
149
+ (0, tube_1.addTube)(builderState, curvePoints, normals, binormals, segmentCount, radialSegments, widthValues, heightValues, startCap, endCap, 'elliptical');
150
+ }
151
+ else if (helixProfile === 'square') {
152
+ (0, sheet_1.addSheet)(builderState, curvePoints, normals, binormals, segmentCount, widthValues, heightValues, 0, startCap, endCap);
147
153
  }
148
154
  else {
149
- (0, tube_1.addTube)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, radialSegments, widthValues, heightValues, startCap, endCap);
155
+ (0, tube_1.addTube)(builderState, curvePoints, normals, binormals, segmentCount, radialSegments, widthValues, heightValues, startCap, endCap, helixProfile);
150
156
  }
151
157
  }
152
158
  ++i;
@@ -171,7 +177,8 @@ function PolymerTraceVisual(materialId) {
171
177
  newProps.linearSegments !== currentProps.linearSegments ||
172
178
  newProps.radialSegments !== currentProps.radialSegments ||
173
179
  newProps.aspectRatio !== currentProps.aspectRatio ||
174
- newProps.arrowFactor !== currentProps.arrowFactor);
180
+ newProps.arrowFactor !== currentProps.arrowFactor ||
181
+ newProps.helixProfile !== currentProps.helixProfile);
175
182
  var secondaryStructureHash = secondary_structure_1.SecondaryStructureProvider.get(newStructureGroup.structure).version;
176
183
  if (state.info.secondaryStructureHash !== secondaryStructureHash) {
177
184
  state.createGeometry = true;
@@ -1 +1 @@
1
- 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1
+ {"version":3,"file":"polymer-trace-mesh.js","sourceRoot":"","sources":["../../../../../src/mol-repr/structure/visual/polymer-trace-mesh.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,uEAA2E;AAE3E,0DAA+D;AAE/D,4DAA2D;AAC3D,4EAA0E;AAC1E,0CAA0Q;AAC1Q,kEAA6F;AAC7F,sEAAwE;AACxE,oEAAsE;AACtE,gDAAgF;AAEhF,6FAAmG;AACnG,wEAA0E;AAC1E,wEAA0E;AAC1E,mEAAwD;AACxD,uDAA8D;AAC9D,uDAAsD;AAGzC,QAAA,sBAAsB,GAAG;IAClC,UAAU,EAAE,kCAAE,CAAC,OAAO,CAAC,GAAG,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC;IAC5D,WAAW,EAAE,kCAAE,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,GAAG,EAAE,CAAC;IAC5D,WAAW,EAAE,kCAAE,CAAC,OAAO,CAAC,GAAG,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,GAAG,EAAE,EAAE,EAAE,WAAW,EAAE,8BAA8B,EAAE,CAAC;IAC5G,cAAc,EAAE,kCAAE,CAAC,OAAO,CAAC,KAAK,EAAE,EAAE,WAAW,EAAE,6BAA6B,EAAE,CAAC;IACjF,YAAY,EAAE,kCAAE,CAAC,MAAM,CAAC,YAAY,EAAE,kCAAE,CAAC,cAAc,CAAC,CAAC,YAAY,EAAE,SAAS,EAAE,QAAQ,CAAU,CAAC,EAAE,EAAE,WAAW,EAAE,yCAAyC,EAAE,CAAC;IAClK,MAAM,EAAE,kCAAE,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,mBAAY,CAAC,sBAAsB,CAAC;IACvF,cAAc,EAAE,kCAAE,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,mBAAY,CAAC,sBAAsB,CAAC;IAChG,cAAc,EAAE,kCAAE,CAAC,OAAO,CAAC,EAAE,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,mBAAY,CAAC,sBAAsB,CAAC;CACpG,CAAC;AACW,QAAA,4BAA4B,GAAG,kCAAE,CAAC,gBAAgB,CAAC,8BAAsB,CAAC,CAAC;AAGxF,IAAM,KAAK,GAAG,IAAA,qBAAI,GAAE,CAAC;AAErB,SAAS,sBAAsB,CAAC,GAAkB,EAAE,IAAU,EAAE,SAAoB,EAAE,KAAY,EAAE,KAA4B,EAAE,IAAW;IACzI,IAAM,mBAAmB,GAAG,IAAI,CAAC,eAAe,CAAC,MAAM,CAAC;IAExD,IAAI,CAAC,mBAAmB;QAAE,OAAO,WAAI,CAAC,WAAW,CAAC,IAAI,CAAC,CAAC;IAChD,IAAA,UAAU,GAAqG,KAAK,WAA1G,EAAE,MAAM,GAA6F,KAAK,OAAlG,EAAE,cAAc,GAA6E,KAAK,eAAlF,EAAE,cAAc,GAA6D,KAAK,eAAlE,EAAE,WAAW,GAAgD,KAAK,YAArD,EAAE,WAAW,GAAmC,KAAK,YAAxC,EAAE,cAAc,GAAmB,KAAK,eAAxB,EAAE,YAAY,GAAK,KAAK,aAAV,CAAW;IAE7H,IAAM,WAAW,GAAG,cAAc,GAAG,cAAc,GAAG,mBAAmB,GAAG,CAAC,cAAc,GAAG,CAAC,CAAC,GAAG,mBAAmB,GAAG,CAAC,CAAC;IAC3H,IAAM,YAAY,GAAG,0BAAW,CAAC,WAAW,CAAC,WAAW,EAAE,WAAW,GAAG,EAAE,EAAE,IAAI,CAAC,CAAC;IAElF,IAAM,QAAQ,GAAG,gBAAI,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC;IACrC,IAAM,KAAK,GAAG,IAAA,iCAAuB,EAAC,cAAc,CAAC,CAAC;IAC9C,IAAA,WAAW,GAAgE,KAAK,YAArE,EAAE,aAAa,GAAiD,KAAK,cAAtD,EAAE,eAAe,GAAgC,KAAK,gBAArC,EAAE,WAAW,GAAmB,KAAK,YAAxB,EAAE,YAAY,GAAK,KAAK,aAAV,CAAW;IAEzF,IAAI,CAAC,GAAG,CAAC,CAAC;IACV,IAAM,cAAc,GAAG,IAAA,8BAAoB,EAAC,IAAI,EAAE,SAAS,EAAE,EAAE,wBAAwB,EAAE,KAAK,EAAE,mBAAmB,EAAE,cAAc,EAAE,CAAC,CAAC;IACvI,OAAO,cAAc,CAAC,OAAO,EAAE;QAC3B,IAAM,CAAC,GAAG,cAAc,CAAC,IAAI,EAAE,CAAC;QAChC,YAAY,CAAC,YAAY,GAAG,CAAC,CAAC;QAE9B,IAAM,aAAa,GAAG,IAAA,iBAAS,EAAC,CAAC,CAAC,YAAY,CAAC,CAAC;QAChD,IAAM,OAAO,GAAG,8BAAsB,CAAC,EAAE,CAAC,CAAC,CAAC,YAAY,eAAmC,CAAC;QAC5F,IAAM,OAAO,GAAG,8BAAsB,CAAC,EAAE,CAAC,CAAC,CAAC,YAAY,gBAAoC,CAAC;QAC7F,IAAM,OAAO,GAAG,OAAO,IAAI,CAAC,cAAc,CAAC,CAAC,CAAC,sBAAY,CAAC,CAAC,CAAC,yBAAe,CAAC;QAC5E,IAAM,KAAK,GAAG,aAAa,CAAC,CAAC,CAAC,sBAAY,CAAC,CAAC,CAAC,uBAAa,CAAC;QAE3D,IAAA,iCAAuB,EAAC,KAAK,EAAE,CAAC,EAAE,OAAO,EAAE,KAAK,CAAC,CAAC;QAElD,IAAI,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,UAAU,CAAC,GAAG,UAAU,CAAC;QACpD,IAAI,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC,GAAG,UAAU,CAAC;QAChD,IAAI,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,UAAU,CAAC,GAAG,UAAU,CAAC;QACpD,IAAI,QAAQ,EAAE;YACV,EAAE,IAAI,WAAW,GAAG,CAAC,CAAC;YACtB,EAAE,IAAI,WAAW,GAAG,CAAC,CAAC;YACtB,EAAE,IAAI,WAAW,GAAG,CAAC,CAAC;SACzB;QAED,IAAM,QAAQ,GAAG,CAAC,CAAC,aAAa,IAAI,CAAC,CAAC,mBAAmB,IAAI,CAAC,CAAC,KAAK,CAAC;QACrE,IAAM,MAAM,GAAG,CAAC,CAAC,YAAY,IAAI,CAAC,CAAC,kBAAkB,IAAI,CAAC,CAAC,IAAI,CAAC;QAEhE,IAAI,YAAY,GAAG,cAAc,CAAC;QAClC,IAAI,CAAC,CAAC,OAAO,EAAE;YACX,YAAY,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,cAAc,GAAG,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC;YAC/D,IAAM,MAAM,GAAG,cAAc,GAAG,YAAY,CAAC;YAC7C,WAAW,CAAC,UAAU,CAAC,CAAC,EAAE,MAAM,GAAG,CAAC,CAAC,CAAC;YACtC,eAAe,CAAC,UAAU,CAAC,CAAC,EAAE,MAAM,GAAG,CAAC,CAAC,CAAC;YAC1C,aAAa,CAAC,UAAU,CAAC,CAAC,EAAE,MAAM,GAAG,CAAC,CAAC,CAAC;YACxC,qBAAI,CAAC,SAAS,CAAC,KAAK,EAAE,WAAW,EAAE,CAAC,CAAC,CAAC;YACtC,qBAAI,CAAC,SAAS,CAAC,KAAK,EAAE,qBAAI,CAAC,GAAG,CAAC,KAAK,EAAE,CAAC,CAAC,EAAE,EAAE,KAAK,CAAC,CAAC,CAAC;YACpD,qBAAI,CAAC,WAAW,CAAC,KAAK,EAAE,CAAC,CAAC,EAAE,EAAE,KAAK,EAAE,EAAE,GAAG,wBAAc,CAAC,CAAC;YAC1D,qBAAI,CAAC,OAAO,CAAC,KAAK,EAAE,WAAW,EAAE,CAAC,CAAC,CAAC;SACvC;aAAM,IAAI,CAAC,CAAC,KAAK,EAAE;YAChB,YAAY,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,cAAc,GAAG,CAAC,CAAC,GAAG,KAAK,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;YACrE,qBAAI,CAAC,SAAS,CAAC,KAAK,EAAE,WAAW,EAAE,YAAY,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;YACzD,qBAAI,CAAC,SAAS,CAAC,KAAK,EAAE,qBAAI,CAAC,GAAG,CAAC,KAAK,EAAE,CAAC,CAAC,EAAE,EAAE,KAAK,CAAC,CAAC,CAAC;YACpD,qBAAI,CAAC,WAAW,CAAC,KAAK,EAAE,CAAC,CAAC,EAAE,EAAE,KAAK,EAAE,EAAE,GAAG,wBAAc,CAAC,CAAC;YAC1D,qBAAI,CAAC,OAAO,CAAC,KAAK,EAAE,WAAW,EAAE,YAAY,GAAG,CAAC,CAAC,CAAC;SACtD;QAED,IAAI,CAAC,CAAC,OAAO,KAAK,IAAI,IAAI,CAAC,CAAC,KAAK,KAAK,IAAI,EAAE;YACxC,IAAA,kBAAS,EAAC,YAAY,EAAE,CAAC,CAAC,EAAE,EAA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@@ -82,7 +82,7 @@ function createPolymerTubeMesh(ctx, unit, structure, theme, props, mesh) {
82
82
  (0, sheet_1.addSheet)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, widthValues, heightValues, 0, startCap, endCap);
83
83
  }
84
84
  else {
85
- (0, tube_1.addTube)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, radialSegments, widthValues, heightValues, startCap, endCap);
85
+ (0, tube_1.addTube)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, radialSegments, widthValues, heightValues, startCap, endCap, 'elliptical');
86
86
  }
87
87
  ++i;
88
88
  }
@@ -1 +1 @@
1
- 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