molstar 3.3.1 → 3.6.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (1114) hide show
  1. package/LICENSE +20 -20
  2. package/README.md +202 -194
  3. package/build/viewer/embedded.html +43 -43
  4. package/build/viewer/index.html +106 -106
  5. package/build/viewer/molstar.js +1 -1
  6. package/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/docking-viewer/viewport.js +1 -1
  10. package/lib/apps/viewer/app.d.ts +7 -6
  11. package/lib/apps/viewer/app.js +3 -1
  12. package/lib/apps/viewer/embedded.html +43 -43
  13. package/lib/apps/viewer/index.html +106 -106
  14. package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  15. package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
  16. package/lib/cli/chem-comp-dict/util.d.ts +20 -20
  17. package/lib/cli/cif2bcif/converter.js +1 -1
  18. package/lib/cli/cif2bcif/index.js +4 -4
  19. package/lib/cli/cifschema/util/cif-dic.d.ts +1 -1
  20. package/lib/cli/cifschema/util/cif-dic.js +7 -5
  21. package/lib/cli/cifschema/util/generate.d.ts +1 -1
  22. package/lib/cli/cifschema/util/generate.js +12 -3
  23. package/lib/cli/cifschema/util/schema.d.ts +3 -3
  24. package/lib/cli/cifschema/util/schema.js +1 -1
  25. package/lib/commonjs/apps/docking-viewer/index.js +14 -14
  26. package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
  27. package/lib/commonjs/apps/viewer/app.d.ts +7 -6
  28. package/lib/commonjs/apps/viewer/app.js +26 -24
  29. package/lib/commonjs/apps/viewer/index.js +1 -1
  30. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
  31. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  32. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
  33. package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
  34. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +20 -20
  35. package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
  36. package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
  37. package/lib/commonjs/cli/cif2bcif/index.js +12 -12
  38. package/lib/commonjs/cli/cifschema/index.js +27 -27
  39. package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +1 -1
  40. package/lib/commonjs/cli/cifschema/util/cif-dic.js +8 -6
  41. package/lib/commonjs/cli/cifschema/util/generate.d.ts +1 -1
  42. package/lib/commonjs/cli/cifschema/util/generate.js +12 -3
  43. package/lib/commonjs/cli/cifschema/util/schema.d.ts +3 -3
  44. package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
  45. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  46. package/lib/commonjs/cli/state-docs/index.js +2 -2
  47. package/lib/commonjs/cli/structure-info/helpers.js +11 -11
  48. package/lib/commonjs/cli/structure-info/model.js +15 -15
  49. package/lib/commonjs/cli/structure-info/volume.js +9 -9
  50. package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
  51. package/lib/commonjs/examples/alpha-orbitals/index.js +12 -12
  52. package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
  53. package/lib/commonjs/examples/basic-wrapper/index.js +23 -23
  54. package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
  55. package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
  56. package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
  57. package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
  58. package/lib/commonjs/examples/lighting/index.js +7 -7
  59. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
  60. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
  61. package/lib/commonjs/examples/proteopedia-wrapper/index.js +27 -27
  62. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
  63. package/lib/commonjs/examples/task.js +15 -15
  64. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
  65. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
  66. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
  67. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
  68. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
  69. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
  70. package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
  71. package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
  72. package/lib/commonjs/extensions/anvil/behavior.js +14 -14
  73. package/lib/commonjs/extensions/anvil/prop.js +7 -7
  74. package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
  75. package/lib/commonjs/extensions/anvil/representation.js +5 -5
  76. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  77. package/lib/commonjs/extensions/cellpack/model.js +26 -24
  78. package/lib/commonjs/extensions/cellpack/preset.js +6 -6
  79. package/lib/commonjs/extensions/cellpack/property.js +3 -3
  80. package/lib/commonjs/extensions/cellpack/representation.d.ts +1 -0
  81. package/lib/commonjs/extensions/cellpack/representation.js +2 -2
  82. package/lib/commonjs/extensions/cellpack/state.js +13 -13
  83. package/lib/commonjs/extensions/cellpack/util.js +14 -14
  84. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  85. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  86. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
  87. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
  88. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
  89. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
  90. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
  91. package/lib/commonjs/extensions/g3d/data.js +6 -6
  92. package/lib/commonjs/extensions/g3d/format.js +14 -14
  93. package/lib/commonjs/extensions/g3d/model.js +4 -4
  94. package/lib/commonjs/extensions/geo-export/controls.js +3 -3
  95. package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
  96. package/lib/commonjs/extensions/geo-export/index.js +1 -1
  97. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
  98. package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
  99. package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
  100. package/lib/commonjs/extensions/geo-export/ui.js +7 -7
  101. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
  102. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
  103. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
  104. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
  105. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
  106. package/lib/commonjs/extensions/model-export/export.js +4 -4
  107. package/lib/commonjs/extensions/model-export/index.js +1 -1
  108. package/lib/commonjs/extensions/model-export/ui.js +5 -5
  109. package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
  110. package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
  111. package/lib/commonjs/extensions/mp4-export/index.js +1 -1
  112. package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
  113. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
  114. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
  115. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  116. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
  117. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
  118. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
  119. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
  120. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
  121. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
  122. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
  123. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
  124. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
  125. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
  126. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
  127. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +3 -3
  128. package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
  129. package/lib/commonjs/extensions/zenodo/index.js +35 -0
  130. package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
  131. package/lib/commonjs/extensions/zenodo/ui.js +306 -0
  132. package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
  133. package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
  134. package/lib/commonjs/mol-canvas3d/camera.js +2 -1
  135. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +2 -0
  136. package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
  137. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  138. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
  139. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
  140. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
  141. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
  142. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
  143. package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
  144. package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
  145. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
  146. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  147. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
  148. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
  149. package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
  150. package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
  151. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
  152. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
  153. package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
  154. package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
  155. package/lib/commonjs/mol-canvas3d/util.js +2 -2
  156. package/lib/commonjs/mol-data/db/column.d.ts +10 -3
  157. package/lib/commonjs/mol-data/db/column.js +40 -18
  158. package/lib/commonjs/mol-data/db/table.js +1 -1
  159. package/lib/commonjs/mol-data/db.js +1 -1
  160. package/lib/commonjs/mol-data/generic.js +3 -3
  161. package/lib/commonjs/mol-data/index.js +4 -4
  162. package/lib/commonjs/mol-data/int/interval.js +1 -1
  163. package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
  164. package/lib/commonjs/mol-data/int/segmentation.js +1 -1
  165. package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
  166. package/lib/commonjs/mol-data/util.js +7 -7
  167. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
  168. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +4 -4
  169. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
  170. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
  171. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
  172. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  173. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
  174. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  175. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  176. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
  177. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +4 -4
  178. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  179. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
  180. package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
  181. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
  182. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +4 -4
  183. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  184. package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
  185. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
  186. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  187. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
  188. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
  189. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +4 -4
  190. package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
  191. package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
  192. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  193. package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
  194. package/lib/commonjs/mol-geo/primitive/star.js +1 -1
  195. package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
  196. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
  197. package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
  198. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
  199. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
  200. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
  201. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
  202. package/lib/commonjs/mol-gl/compute/util.js +3 -3
  203. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  204. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  205. package/lib/commonjs/mol-gl/renderable/image.js +3 -3
  206. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  207. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  208. package/lib/commonjs/mol-gl/renderable/points.js +3 -3
  209. package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
  210. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  211. package/lib/commonjs/mol-gl/renderable/text.js +3 -3
  212. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  213. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  214. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
  215. package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
  216. package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
  217. package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
  218. package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
  219. package/lib/commonjs/mol-gl/shader/image.frag.js +2 -2
  220. package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
  221. package/lib/commonjs/mol-gl/shader/lines.frag.js +2 -2
  222. package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
  223. package/lib/commonjs/mol-gl/shader/points.frag.js +2 -2
  224. package/lib/commonjs/mol-gl/shader/text.frag.d.ts +2 -2
  225. package/lib/commonjs/mol-gl/shader/text.frag.js +2 -2
  226. package/lib/commonjs/mol-gl/shader-code.js +2 -1
  227. package/lib/commonjs/mol-gl/webgl/buffer.d.ts +2 -2
  228. package/lib/commonjs/mol-gl/webgl/buffer.js +16 -17
  229. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  230. package/lib/commonjs/mol-gl/webgl/context.js +5 -5
  231. package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
  232. package/lib/commonjs/mol-gl/webgl/program.js +10 -4
  233. package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
  234. package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
  235. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
  236. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
  237. package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
  238. package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
  239. package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
  240. package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
  241. package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
  242. package/lib/commonjs/mol-io/common/typed-array.js +2 -2
  243. package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
  244. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
  245. package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
  246. package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +8 -8
  247. package/lib/commonjs/mol-io/reader/cif/schema/bird.js +12 -11
  248. package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
  249. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +12 -12
  250. package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +13 -12
  251. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
  252. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +4 -4
  253. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +31 -27
  254. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +44 -39
  255. package/lib/commonjs/mol-io/reader/cif/schema.d.ts +1 -1
  256. package/lib/commonjs/mol-io/reader/cif/schema.js +24 -4
  257. package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
  258. package/lib/commonjs/mol-io/reader/cif.js +1 -1
  259. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
  260. package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
  261. package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
  262. package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
  263. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  264. package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
  265. package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
  266. package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
  267. package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
  268. package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
  269. package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
  270. package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
  271. package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
  272. package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
  273. package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
  274. package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
  275. package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
  276. package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
  277. package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
  278. package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
  279. package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
  280. package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
  281. package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
  282. package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
  283. package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
  284. package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
  285. package/lib/commonjs/mol-io/writer/cif.js +1 -1
  286. package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
  287. package/lib/commonjs/mol-io/writer/mol/encoder.js +2 -2
  288. package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
  289. package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
  290. package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
  291. package/lib/commonjs/mol-math/geometry/common.js +1 -1
  292. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
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@@ -13,7 +13,7 @@ var gpu_1 = require("../../../../mol-math/geometry/gaussian-density/gpu");
13
13
  var common_1 = require("./common");
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  var base_1 = require("../../../../mol-geo/geometry/base");
15
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  var cpu_1 = require("../../../../mol-math/geometry/gaussian-density/cpu");
16
- exports.GaussianDensityParams = (0, tslib_1.__assign)({ resolution: param_definition_1.ParamDefinition.Numeric(1, { min: 0.1, max: 20, step: 0.1 }, (0, tslib_1.__assign)({ description: 'Grid resolution/cell spacing.' }, base_1.BaseGeometry.CustomQualityParamInfo)), radiusOffset: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 10, step: 0.1 }, { description: 'Extra/offset radius added to the atoms/coarse elements for gaussian calculation. Useful to create coarse, low resolution surfaces.' }), smoothness: param_definition_1.ParamDefinition.Numeric(1.5, { min: 0.5, max: 2.5, step: 0.1 }, { description: 'Smoothness of the gausian surface, lower is smoother.' }) }, common_1.CommonSurfaceParams);
16
+ exports.GaussianDensityParams = tslib_1.__assign({ resolution: param_definition_1.ParamDefinition.Numeric(1, { min: 0.1, max: 20, step: 0.1 }, tslib_1.__assign({ description: 'Grid resolution/cell spacing.' }, base_1.BaseGeometry.CustomQualityParamInfo)), radiusOffset: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 10, step: 0.1 }, { description: 'Extra/offset radius added to the atoms/coarse elements for gaussian calculation. Useful to create coarse, low resolution surfaces.' }), smoothness: param_definition_1.ParamDefinition.Numeric(1.5, { min: 0.5, max: 2.5, step: 0.1 }, { description: 'Smoothness of the gausian surface, lower is smoother.' }) }, common_1.CommonSurfaceParams);
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  exports.DefaultGaussianDensityProps = param_definition_1.ParamDefinition.getDefaultValues(exports.GaussianDensityParams);
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  //
19
19
  function getTextureMaxCells(webgl, structure) {
@@ -27,8 +27,8 @@ function computeUnitGaussianDensity(structure, unit, sizeTheme, props) {
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  var box = unit.lookup3d.boundary.box;
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  var p = (0, common_1.ensureReasonableResolution)(box, props);
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  var _a = (0, common_1.getUnitConformationAndRadius)(structure, unit, sizeTheme, p), position = _a.position, radius = _a.radius;
30
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
31
- return (0, tslib_1.__generator)(this, function (_a) {
30
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
31
+ return tslib_1.__generator(this, function (_a) {
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  switch (_a.label) {
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  case 0: return [4 /*yield*/, (0, cpu_1.GaussianDensityCPU)(ctx, position, box, radius, p)];
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34
  case 1: return [2 /*return*/, _a.sent()];
@@ -42,8 +42,8 @@ function computeUnitGaussianDensityTexture(structure, unit, sizeTheme, props, we
42
42
  var box = unit.lookup3d.boundary.box;
43
43
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl, structure));
44
44
  var _a = (0, common_1.getUnitConformationAndRadius)(structure, unit, sizeTheme, p), position = _a.position, radius = _a.radius;
45
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
46
- return (0, tslib_1.__generator)(this, function (_a) {
45
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
46
+ return tslib_1.__generator(this, function (_a) {
47
47
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture)(webgl, position, box, radius, p, texture)];
48
48
  });
49
49
  }); });
@@ -54,8 +54,8 @@ function computeUnitGaussianDensityTexture2d(structure, unit, sizeTheme, powerOf
54
54
  var box = unit.lookup3d.boundary.box;
55
55
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl, structure));
56
56
  var _a = (0, common_1.getUnitConformationAndRadius)(structure, unit, sizeTheme, p), position = _a.position, radius = _a.radius;
57
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
58
- return (0, tslib_1.__generator)(this, function (_a) {
57
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
58
+ return tslib_1.__generator(this, function (_a) {
59
59
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture2d)(webgl, position, box, radius, powerOfTwo, p, texture)];
60
60
  });
61
61
  }); });
@@ -67,8 +67,8 @@ function computeStructureGaussianDensity(structure, sizeTheme, props) {
67
67
  var box = structure.lookup3d.boundary.box;
68
68
  var p = (0, common_1.ensureReasonableResolution)(box, props);
69
69
  var _a = (0, common_1.getStructureConformationAndRadius)(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly), position = _a.position, radius = _a.radius;
70
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
71
- return (0, tslib_1.__generator)(this, function (_a) {
70
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
71
+ return tslib_1.__generator(this, function (_a) {
72
72
  switch (_a.label) {
73
73
  case 0: return [4 /*yield*/, (0, cpu_1.GaussianDensityCPU)(ctx, position, box, radius, p)];
74
74
  case 1: return [2 /*return*/, _a.sent()];
@@ -82,8 +82,8 @@ function computeStructureGaussianDensityTexture(structure, sizeTheme, props, web
82
82
  var box = structure.lookup3d.boundary.box;
83
83
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl));
84
84
  var _a = (0, common_1.getStructureConformationAndRadius)(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly), position = _a.position, radius = _a.radius;
85
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
86
- return (0, tslib_1.__generator)(this, function (_a) {
85
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
86
+ return tslib_1.__generator(this, function (_a) {
87
87
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture)(webgl, position, box, radius, p, texture)];
88
88
  });
89
89
  }); });
@@ -94,8 +94,8 @@ function computeStructureGaussianDensityTexture2d(structure, sizeTheme, powerOfT
94
94
  var box = structure.lookup3d.boundary.box;
95
95
  var p = (0, common_1.ensureReasonableResolution)(box, props, getTextureMaxCells(webgl));
96
96
  var _a = (0, common_1.getStructureConformationAndRadius)(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly), position = _a.position, radius = _a.radius;
97
- return mol_task_1.Task.create('Gaussian Density', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
98
- return (0, tslib_1.__generator)(this, function (_a) {
97
+ return mol_task_1.Task.create('Gaussian Density', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
98
+ return tslib_1.__generator(this, function (_a) {
99
99
  return [2 /*return*/, (0, gpu_1.GaussianDensityTexture2d)(webgl, position, box, radius, powerOfTwo, p, texture)];
100
100
  });
101
101
  }); });
@@ -25,15 +25,15 @@ function getPositionDataAndMaxRadius(structure, unit, sizeTheme, props) {
25
25
  maxRadius = r;
26
26
  radii[j] = r + probeRadius;
27
27
  }
28
- return { position: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, position), { radius: radii }), boundary: boundary, maxRadius: maxRadius };
28
+ return { position: tslib_1.__assign(tslib_1.__assign({}, position), { radius: radii }), boundary: boundary, maxRadius: maxRadius };
29
29
  }
30
30
  function computeUnitMolecularSurface(structure, unit, sizeTheme, props) {
31
31
  var _this = this;
32
32
  var box = unit.lookup3d.boundary.box;
33
33
  var p = (0, common_1.ensureReasonableResolution)(box, props);
34
34
  var _a = getPositionDataAndMaxRadius(structure, unit, sizeTheme, p), position = _a.position, boundary = _a.boundary, maxRadius = _a.maxRadius;
35
- return mol_task_1.Task.create('Molecular Surface', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
36
- return (0, tslib_1.__generator)(this, function (_a) {
35
+ return mol_task_1.Task.create('Molecular Surface', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
36
+ return tslib_1.__generator(this, function (_a) {
37
37
  switch (_a.label) {
38
38
  case 0: return [4 /*yield*/, MolecularSurface(ctx, position, boundary, maxRadius, box, p)];
39
39
  case 1: return [2 /*return*/, _a.sent()];
@@ -44,8 +44,8 @@ function computeUnitMolecularSurface(structure, unit, sizeTheme, props) {
44
44
  exports.computeUnitMolecularSurface = computeUnitMolecularSurface;
45
45
  //
46
46
  function MolecularSurface(ctx, position, boundary, maxRadius, box, props) {
47
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
48
- return (0, tslib_1.__generator)(this, function (_a) {
47
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
48
+ return tslib_1.__generator(this, function (_a) {
49
49
  return [2 /*return*/, (0, molecular_surface_1.calcMolecularSurface)(ctx, position, boundary, maxRadius, box, props)];
50
50
  });
51
51
  });
@@ -13,10 +13,10 @@ var int_1 = require("../../../../mol-data/int");
13
13
  var loci_1 = require("../../../../mol-model/loci");
14
14
  var location_iterator_1 = require("../../../../mol-geo/util/location-iterator");
15
15
  var common_1 = require("./common");
16
- (0, tslib_1.__exportStar)(require("./polymer/backbone"), exports);
17
- (0, tslib_1.__exportStar)(require("./polymer/gap-iterator"), exports);
18
- (0, tslib_1.__exportStar)(require("./polymer/trace-iterator"), exports);
19
- (0, tslib_1.__exportStar)(require("./polymer/curve-segment"), exports);
16
+ tslib_1.__exportStar(require("./polymer/backbone"), exports);
17
+ tslib_1.__exportStar(require("./polymer/gap-iterator"), exports);
18
+ tslib_1.__exportStar(require("./polymer/trace-iterator"), exports);
19
+ tslib_1.__exportStar(require("./polymer/curve-segment"), exports);
20
20
  exports.StandardTension = 0.5;
21
21
  exports.HelixTension = 0.9;
22
22
  exports.StandardShift = 0.5;
@@ -1,5 +1,5 @@
1
1
  /**
2
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
2
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
3
  *
4
4
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
5
5
  */
@@ -31,6 +31,7 @@ export interface QualityProps {
31
31
  doubleSided: boolean;
32
32
  xrayShaded: boolean;
33
33
  alpha: number;
34
+ allowTransparentBackfaces: boolean;
34
35
  }
35
36
  export declare const DefaultQualityThresholds: {
36
37
  lowestElementCount: number;
@@ -1,6 +1,6 @@
1
1
  "use strict";
2
2
  /**
3
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
3
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
4
4
  *
5
5
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
6
6
  */
@@ -47,7 +47,7 @@ exports.DefaultQualityThresholds = {
47
47
  };
48
48
  function getStructureQuality(structure, tresholds) {
49
49
  if (tresholds === void 0) { tresholds = {}; }
50
- var t = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.DefaultQualityThresholds), tresholds);
50
+ var t = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultQualityThresholds), tresholds);
51
51
  var score = structure.elementCount * t.elementCountFactor;
52
52
  if (structure.isCoarseGrained)
53
53
  score *= t.coarseGrainedFactor;
@@ -169,7 +169,7 @@ function getQualityProps(props, data) {
169
169
  // max resolution based on volume (for 'auto' quality)
170
170
  resolution = Math.max(resolution, volume / 500000000);
171
171
  resolution = Math.min(resolution, 20);
172
- if ((props.alpha !== undefined && props.alpha < 1) || !!props.xrayShaded) {
172
+ if (!props.allowTransparentBackfaces && ((props.alpha !== undefined && props.alpha < 1) || !!props.xrayShaded)) {
173
173
  doubleSided = false;
174
174
  }
175
175
  return {
@@ -74,9 +74,9 @@ function createDirectVolume3d(ctx, webgl, volume, directVolume) {
74
74
  exports.createDirectVolume3d = createDirectVolume3d;
75
75
  //
76
76
  function createDirectVolume(ctx, volume, theme, props, directVolume) {
77
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
77
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
78
78
  var runtime, webgl;
79
- return (0, tslib_1.__generator)(this, function (_a) {
79
+ return tslib_1.__generator(this, function (_a) {
80
80
  runtime = ctx.runtime, webgl = ctx.webgl;
81
81
  if (webgl === undefined)
82
82
  throw new Error('DirectVolumeVisual requires `webgl` in props');
@@ -103,7 +103,7 @@ function eachDirectVolume(loci, volume, props, apply) {
103
103
  }
104
104
  exports.eachDirectVolume = eachDirectVolume;
105
105
  //
106
- exports.DirectVolumeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, direct_volume_1.DirectVolume.Params), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, direct_volume_1.DirectVolume.Params.quality), { isEssential: false }) });
106
+ exports.DirectVolumeParams = tslib_1.__assign(tslib_1.__assign({}, direct_volume_1.DirectVolume.Params), { quality: tslib_1.__assign(tslib_1.__assign({}, direct_volume_1.DirectVolume.Params.quality), { isEssential: false }) });
107
107
  function getDirectVolumeParams(ctx, volume) {
108
108
  return param_definition_1.ParamDefinition.clone(exports.DirectVolumeParams);
109
109
  }
@@ -93,6 +93,7 @@ export declare function IsosurfaceVisual(materialId: number, volume: Volume, pro
93
93
  flatShaded: PD.BooleanParam;
94
94
  ignoreLight: PD.BooleanParam;
95
95
  xrayShaded: PD.BooleanParam;
96
+ allowTransparentBackfaces: PD.BooleanParam;
96
97
  bumpFrequency: PD.Numeric;
97
98
  bumpAmplitude: PD.Numeric;
98
99
  alpha: PD.Numeric;
@@ -166,6 +167,7 @@ export declare const IsosurfaceMeshParams: {
166
167
  flatShaded: PD.BooleanParam;
167
168
  ignoreLight: PD.BooleanParam;
168
169
  xrayShaded: PD.BooleanParam;
170
+ allowTransparentBackfaces: PD.BooleanParam;
169
171
  bumpFrequency: PD.Numeric;
170
172
  bumpAmplitude: PD.Numeric;
171
173
  alpha: PD.Numeric;
@@ -328,6 +330,7 @@ export declare const IsosurfaceParams: {
328
330
  flatShaded: PD.BooleanParam;
329
331
  ignoreLight: PD.BooleanParam;
330
332
  xrayShaded: PD.BooleanParam;
333
+ allowTransparentBackfaces: PD.BooleanParam;
331
334
  bumpAmplitude: PD.Numeric;
332
335
  };
333
336
  export declare type IsosurfaceParams = typeof IsosurfaceParams;
@@ -403,6 +406,7 @@ export declare function getIsosurfaceParams(ctx: ThemeRegistryContext, volume: V
403
406
  flatShaded: PD.BooleanParam;
404
407
  ignoreLight: PD.BooleanParam;
405
408
  xrayShaded: PD.BooleanParam;
409
+ allowTransparentBackfaces: PD.BooleanParam;
406
410
  bumpAmplitude: PD.Numeric;
407
411
  };
408
412
  export declare type IsosurfaceRepresentation = VolumeRepresentation<IsosurfaceParams>;
@@ -479,5 +483,6 @@ export declare const IsosurfaceRepresentationProvider: VolumeRepresentationProvi
479
483
  flatShaded: PD.BooleanParam;
480
484
  ignoreLight: PD.BooleanParam;
481
485
  xrayShaded: PD.BooleanParam;
486
+ allowTransparentBackfaces: PD.BooleanParam;
482
487
  bumpAmplitude: PD.Numeric;
483
488
  }, "isosurface">;
@@ -66,9 +66,9 @@ function eachIsosurface(loci, volume, props, apply) {
66
66
  exports.eachIsosurface = eachIsosurface;
67
67
  //
68
68
  function createVolumeIsosurfaceMesh(ctx, volume, theme, props, mesh) {
69
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
69
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
70
70
  var ids, surface, transform;
71
- return (0, tslib_1.__generator)(this, function (_a) {
71
+ return tslib_1.__generator(this, function (_a) {
72
72
  switch (_a.label) {
73
73
  case 0:
74
74
  ctx.runtime.update({ message: 'Marching cubes...' });
@@ -94,7 +94,7 @@ function createVolumeIsosurfaceMesh(ctx, volume, theme, props, mesh) {
94
94
  });
95
95
  }
96
96
  exports.createVolumeIsosurfaceMesh = createVolumeIsosurfaceMesh;
97
- exports.IsosurfaceMeshParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, mesh_1.Mesh.Params), texture_mesh_1.TextureMesh.Params), exports.VolumeIsosurfaceParams), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, mesh_1.Mesh.Params.quality), { isEssential: false }), tryUseGpu: param_definition_1.ParamDefinition.Boolean(true) });
97
+ exports.IsosurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params), texture_mesh_1.TextureMesh.Params), exports.VolumeIsosurfaceParams), { quality: tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params.quality), { isEssential: false }), tryUseGpu: param_definition_1.ParamDefinition.Boolean(true) });
98
98
  function IsosurfaceMeshVisual(materialId) {
99
99
  return (0, representation_1.VolumeVisual)({
100
100
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IsosurfaceMeshParams),
@@ -151,9 +151,9 @@ var VolumeIsosurfaceTexture;
151
151
  VolumeIsosurfaceTexture.get = get;
152
152
  })(VolumeIsosurfaceTexture || (VolumeIsosurfaceTexture = {}));
153
153
  function createVolumeIsosurfaceTextureMesh(ctx, volume, theme, props, textureMesh) {
154
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
154
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
155
155
  var _a, max, min, diff, value, isoLevel, _b, texture, gridDimension, gridTexDim, gridTexScale, transform, axisOrder, buffer, gv, surface;
156
- return (0, tslib_1.__generator)(this, function (_c) {
156
+ return tslib_1.__generator(this, function (_c) {
157
157
  if (!ctx.webgl)
158
158
  throw new Error('webgl context required to create volume isosurface texture-mesh');
159
159
  if (volume.grid.cells.data.length <= 1) {
@@ -198,9 +198,9 @@ function IsosurfaceTextureMeshVisual(materialId) {
198
198
  exports.IsosurfaceTextureMeshVisual = IsosurfaceTextureMeshVisual;
199
199
  //
200
200
  function createVolumeIsosurfaceWireframe(ctx, volume, theme, props, lines) {
201
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
201
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
202
202
  var ids, wireframe, transform;
203
- return (0, tslib_1.__generator)(this, function (_a) {
203
+ return tslib_1.__generator(this, function (_a) {
204
204
  switch (_a.label) {
205
205
  case 0:
206
206
  ctx.runtime.update({ message: 'Marching cubes...' });
@@ -221,7 +221,7 @@ function createVolumeIsosurfaceWireframe(ctx, volume, theme, props, lines) {
221
221
  });
222
222
  }
223
223
  exports.createVolumeIsosurfaceWireframe = createVolumeIsosurfaceWireframe;
224
- exports.IsosurfaceWireframeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, lines_1.Lines.Params), exports.VolumeIsosurfaceParams), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, lines_1.Lines.Params.quality), { isEssential: false }), sizeFactor: param_definition_1.ParamDefinition.Numeric(3, { min: 0, max: 10, step: 0.1 }) });
224
+ exports.IsosurfaceWireframeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, lines_1.Lines.Params), exports.VolumeIsosurfaceParams), { quality: tslib_1.__assign(tslib_1.__assign({}, lines_1.Lines.Params.quality), { isEssential: false }), sizeFactor: param_definition_1.ParamDefinition.Numeric(3, { min: 0, max: 10, step: 0.1 }) });
225
225
  function IsosurfaceWireframeVisual(materialId) {
226
226
  return (0, representation_1.VolumeVisual)({
227
227
  defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IsosurfaceWireframeParams),
@@ -242,7 +242,7 @@ var IsosurfaceVisuals = {
242
242
  'solid': function (ctx, getParams) { return (0, representation_1.VolumeRepresentation)('Isosurface mesh', ctx, getParams, IsosurfaceVisual, getLoci); },
243
243
  'wireframe': function (ctx, getParams) { return (0, representation_1.VolumeRepresentation)('Isosurface wireframe', ctx, getParams, IsosurfaceWireframeVisual, getLoci); },
244
244
  };
245
- exports.IsosurfaceParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.IsosurfaceMeshParams), exports.IsosurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['solid'], param_definition_1.ParamDefinition.objectToOptions(IsosurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
245
+ exports.IsosurfaceParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, exports.IsosurfaceMeshParams), exports.IsosurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['solid'], param_definition_1.ParamDefinition.objectToOptions(IsosurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
246
246
  function getIsosurfaceParams(ctx, volume) {
247
247
  var p = param_definition_1.ParamDefinition.clone(exports.IsosurfaceParams);
248
248
  p.isoValue = volume_1.Volume.createIsoValueParam(volume_1.Volume.IsoValue.relative(2), volume.grid.stats);
@@ -82,6 +82,7 @@ export declare namespace VolumeRepresentationRegistry {
82
82
  flatShaded: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
83
83
  ignoreLight: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
84
84
  xrayShaded: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
85
+ allowTransparentBackfaces: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
85
86
  bumpAmplitude: import("../../mol-util/param-definition").ParamDefinition.Numeric;
86
87
  }, "isosurface">;
87
88
  slice: import("./representation").VolumeRepresentationProvider<{
@@ -13,7 +13,7 @@ var object_1 = require("../../mol-util/object");
13
13
  var slice_1 = require("./slice");
14
14
  var direct_volume_1 = require("./direct-volume");
15
15
  var VolumeRepresentationRegistry = /** @class */ (function (_super) {
16
- (0, tslib_1.__extends)(VolumeRepresentationRegistry, _super);
16
+ tslib_1.__extends(VolumeRepresentationRegistry, _super);
17
17
  function VolumeRepresentationRegistry() {
18
18
  var _this = _super.call(this) || this;
19
19
  (0, object_1.objectForEach)(VolumeRepresentationRegistry.BuiltIn, function (p, k) {
@@ -136,9 +136,9 @@ function VolumeVisual(builder, materialId) {
136
136
  get geometryVersion() { return geometryVersion; },
137
137
  createOrUpdate: function (ctx, theme, props, volume) {
138
138
  if (props === void 0) { props = {}; }
139
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
139
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
140
140
  var newGeometry;
141
- return (0, tslib_1.__generator)(this, function (_a) {
141
+ return tslib_1.__generator(this, function (_a) {
142
142
  prepareUpdate(theme, props, volume || currentVolume);
143
143
  if (updateState.createGeometry) {
144
144
  newGeometry = createGeometry(ctx, newVolume, newTheme, newProps, geometry);
@@ -198,7 +198,7 @@ exports.VolumeVisual = VolumeVisual;
198
198
  function VolumeRepresentationProvider(p) { return p; }
199
199
  exports.VolumeRepresentationProvider = VolumeRepresentationProvider;
200
200
  //
201
- exports.VolumeParams = (0, tslib_1.__assign)({}, base_1.BaseGeometry.Params);
201
+ exports.VolumeParams = tslib_1.__assign({}, base_1.BaseGeometry.Params);
202
202
  function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci) {
203
203
  var version = 0;
204
204
  var webgl = ctx.webgl;
@@ -223,10 +223,10 @@ function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci) {
223
223
  }
224
224
  var qualityProps = (0, util_1.getQualityProps)(Object.assign({}, _props, props), _volume);
225
225
  Object.assign(_props, props, qualityProps);
226
- return mol_task_1.Task.create('Creating or updating VolumeRepresentation', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
226
+ return mol_task_1.Task.create('Creating or updating VolumeRepresentation', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
227
227
  var promise;
228
228
  var _a;
229
- return (0, tslib_1.__generator)(this, function (_b) {
229
+ return tslib_1.__generator(this, function (_b) {
230
230
  switch (_b.label) {
231
231
  case 0:
232
232
  if (!visual) {
@@ -21,9 +21,9 @@ var color_2 = require("../../mol-theme/color");
21
21
  var number_packing_1 = require("../../mol-util/number-packing");
22
22
  var util_2 = require("./util");
23
23
  function createImage(ctx, volume, theme, props, image) {
24
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
24
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
25
25
  var dim, isoValue, _a, space, data, _b, min, max, isoVal, color, _c, r, g, b, _d, width, height, x, y, z, x0, y0, z0, nx, ny, nz, corners, imageArray, groupArray, i, iy, ix, iz, val, normVal, imageTexture, groupTexture, transform;
26
- return (0, tslib_1.__generator)(this, function (_e) {
26
+ return tslib_1.__generator(this, function (_e) {
27
27
  dim = props.dimension.name, isoValue = props.isoValue;
28
28
  _a = volume.grid.cells, space = _a.space, data = _a.data;
29
29
  _b = volume.grid.stats, min = _b.min, max = _b.max;
@@ -141,7 +141,7 @@ function eachSlice(loci, volume, props, apply) {
141
141
  return (0, util_2.eachVolumeLoci)(loci, volume, undefined, apply);
142
142
  }
143
143
  //
144
- exports.SliceParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, image_1.Image.Params), { quality: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, image_1.Image.Params.quality), { isEssential: false }), dimension: param_definition_1.ParamDefinition.MappedStatic('x', {
144
+ exports.SliceParams = tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Params), { quality: tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Params.quality), { isEssential: false }), dimension: param_definition_1.ParamDefinition.MappedStatic('x', {
145
145
  x: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
146
146
  y: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
147
147
  z: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
@@ -171,7 +171,7 @@ function SliceVisual(materialId) {
171
171
  !volume_1.Volume.IsoValue.areSame(newProps.isoValue, currentProps.isoValue, volume.grid.stats) ||
172
172
  !color_2.ColorTheme.areEqual(newTheme.color, currentTheme.color));
173
173
  },
174
- geometryUtils: (0, tslib_1.__assign)((0, tslib_1.__assign)({}, image_1.Image.Utils), { createRenderableState: function (props) {
174
+ geometryUtils: tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Utils), { createRenderableState: function (props) {
175
175
  var state = image_1.Image.Utils.createRenderableState(props);
176
176
  updateRenderableState(state, props);
177
177
  return state;
@@ -10,6 +10,7 @@ export declare namespace MolScriptBuilder {
10
10
  '@header': string;
11
11
  type: {
12
12
  '@header': string;
13
+ /** atom macromolecular property set */
13
14
  bool: MSymbol<import("./symbol").Arguments<import("./symbol").Arguments.PropTypes<{
14
15
  0: import("./symbol").Argument<import("./type").Type.AnyValue>;
15
16
  }>>, import("./type").Type.OneOf<boolean>>;
@@ -9,6 +9,7 @@ exports.parseMolScript = void 0;
9
9
  var monadic_parser_1 = require("../../mol-util/monadic-parser");
10
10
  var expression_1 = require("./expression");
11
11
  var builder_1 = require("./builder");
12
+ var type_helpers_1 = require("../../mol-util/type-helpers");
12
13
  function parseMolScript(input) {
13
14
  return Language.parse(input);
14
15
  }
@@ -63,15 +64,15 @@ var Language;
63
64
  case '[': return builder_1.MolScriptBuilder.core.type.list(withoutComments(expr.nodes).map(visitExpr));
64
65
  case '{': return builder_1.MolScriptBuilder.core.type.set(withoutComments(expr.nodes).map(visitExpr));
65
66
  case '(': {
67
+ if (expr.nodes[0].kind === 'comment')
68
+ throw new Error('Invalid expression');
66
69
  var head = visitExpr(expr.nodes[0]);
67
70
  return expression_1.Expression.Apply(head, getArgs(expr.nodes));
68
71
  }
72
+ default: (0, type_helpers_1.assertUnreachable)(expr.bracket);
69
73
  }
70
- return 0;
71
- }
72
- default: {
73
- throw new Error('should not happen');
74
74
  }
75
+ default: (0, type_helpers_1.assertUnreachable)(expr);
75
76
  }
76
77
  }
77
78
  function getArgs(nodes) {
@@ -102,6 +103,8 @@ var Language;
102
103
  }
103
104
  if (i >= _i)
104
105
  throw new Error("There must be a value foolowed a named arg ':".concat(name_1, "'."));
106
+ if (nodes[i].kind === 'comment')
107
+ throw new Error('Invalid expression');
105
108
  args[name_1] = visitExpr(nodes[i]);
106
109
  if (isNaN(+name_1))
107
110
  allNumeric = false;
@@ -8,7 +8,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.internal = void 0;
9
9
  var tslib_1 = require("tslib");
10
10
  var type_1 = require("../type");
11
- var Struct = (0, tslib_1.__importStar)(require("./structure-query"));
11
+ var Struct = tslib_1.__importStar(require("./structure-query"));
12
12
  var symbol_1 = require("../symbol");
13
13
  var helpers_1 = require("../helpers");
14
14
  var generator = {
@@ -9,7 +9,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
9
9
  exports.structureQuery = exports.Types = void 0;
10
10
  var tslib_1 = require("tslib");
11
11
  var type_1 = require("../type");
12
- var Core = (0, tslib_1.__importStar)(require("./core"));
12
+ var Core = tslib_1.__importStar(require("./core"));
13
13
  var symbol_1 = require("../symbol");
14
14
  var helpers_1 = require("../helpers");
15
15
  var Types;
@@ -6,5 +6,5 @@
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  var tslib_1 = require("tslib");
9
- (0, tslib_1.__exportStar)(require("./base"), exports);
9
+ tslib_1.__exportStar(require("./base"), exports);
10
10
  require("./table");
@@ -29,7 +29,7 @@ function Macro(symbol, translate) {
29
29
  }
30
30
  symbol.info.namespace = 'molscript-macro';
31
31
  symbol.id = "molscript-macro.".concat(symbol.info.name);
32
- return { kind: 'macro', symbol: symbol, translate: translate, aliases: (0, tslib_1.__spreadArray)([symbol.info.name], aliases, true) };
32
+ return { kind: 'macro', symbol: symbol, translate: translate, aliases: tslib_1.__spreadArray([symbol.info.name], aliases, true) };
33
33
  }
34
34
  function isMolScriptSymbol(x) {
35
35
  return x.kind === 'alias' || x.kind === 'macro';
@@ -41,7 +41,7 @@ var StateAction;
41
41
  var Builder;
42
42
  (function (Builder) {
43
43
  function root(info) {
44
- return function (def) { return create((0, tslib_1.__assign)({ from: info.from instanceof Array
44
+ return function (def) { return create(tslib_1.__assign({ from: info.from instanceof Array
45
45
  ? info.from
46
46
  : !!info.from ? [info.from] : [], display: typeof info.display === 'string'
47
47
  ? { name: info.display }
@@ -6,11 +6,11 @@
6
6
  */
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  var tslib_1 = require("tslib");
9
- (0, tslib_1.__exportStar)(require("./object"), exports);
10
- (0, tslib_1.__exportStar)(require("./tree"), exports);
11
- (0, tslib_1.__exportStar)(require("./state"), exports);
12
- (0, tslib_1.__exportStar)(require("./state/builder"), exports);
13
- (0, tslib_1.__exportStar)(require("./state/selection"), exports);
14
- (0, tslib_1.__exportStar)(require("./transformer"), exports);
15
- (0, tslib_1.__exportStar)(require("./transform"), exports);
16
- (0, tslib_1.__exportStar)(require("./action"), exports);
9
+ tslib_1.__exportStar(require("./object"), exports);
10
+ tslib_1.__exportStar(require("./tree"), exports);
11
+ tslib_1.__exportStar(require("./state"), exports);
12
+ tslib_1.__exportStar(require("./state/builder"), exports);
13
+ tslib_1.__exportStar(require("./state/selection"), exports);
14
+ tslib_1.__exportStar(require("./transformer"), exports);
15
+ tslib_1.__exportStar(require("./transform"), exports);
16
+ tslib_1.__exportStar(require("./action"), exports);
@@ -145,7 +145,7 @@ var StateBuilder;
145
145
  return to;
146
146
  }
147
147
  else {
148
- return this.apply(tr, params, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, options), { ref: ref }));
148
+ return this.apply(tr, params, tslib_1.__assign(tslib_1.__assign({}, options), { ref: ref }));
149
149
  }
150
150
  };
151
151
  /**
@@ -170,7 +170,7 @@ var StateBuilder;
170
170
  return to;
171
171
  }
172
172
  }
173
- var t = tr.apply(applyRoot, params, (0, tslib_1.__assign)((0, tslib_1.__assign)({}, options), { tags: tagsUnion(tags, options && options.tags) }));
173
+ var t = tr.apply(applyRoot, params, tslib_1.__assign(tslib_1.__assign({}, options), { tags: tagsUnion(tags, options && options.tags) }));
174
174
  this.state.tree.add(t);
175
175
  this.editInfo.count++;
176
176
  this.editInfo.lastUpdate = t.ref;
@@ -49,7 +49,7 @@ var StateSelection;
49
49
  for (var _i = 0; _i < arguments.length; _i++) {
50
50
  args[_i] = arguments[_i];
51
51
  }
52
- return f.call.apply(f, (0, tslib_1.__spreadArray)([void 0, this], args, false));
52
+ return f.call.apply(f, tslib_1.__spreadArray([void 0, this], args, false));
53
53
  };
54
54
  }
55
55
  function build(compile) {