molstar 3.3.0 → 3.5.0

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 (905) 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/lib/apps/docking-viewer/index.html +36 -36
  7. package/lib/apps/docking-viewer/viewport.js +1 -1
  8. package/lib/apps/viewer/app.d.ts +7 -6
  9. package/lib/apps/viewer/app.js +2 -0
  10. package/lib/apps/viewer/embedded.html +43 -43
  11. package/lib/apps/viewer/index.html +106 -106
  12. package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  13. package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
  14. package/lib/cli/cif2bcif/converter.js +1 -1
  15. package/lib/cli/cif2bcif/index.js +4 -4
  16. package/lib/commonjs/apps/docking-viewer/index.js +12 -12
  17. package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
  18. package/lib/commonjs/apps/viewer/app.d.ts +7 -6
  19. package/lib/commonjs/apps/viewer/app.js +24 -22
  20. package/lib/commonjs/apps/viewer/index.js +1 -1
  21. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
  22. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
  23. package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
  24. package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
  25. package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
  26. package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
  27. package/lib/commonjs/cli/cif2bcif/index.js +12 -12
  28. package/lib/commonjs/cli/cifschema/index.js +27 -27
  29. package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
  30. package/lib/commonjs/cli/lipid-params/index.js +9 -9
  31. package/lib/commonjs/cli/state-docs/index.js +2 -2
  32. package/lib/commonjs/cli/structure-info/helpers.js +11 -11
  33. package/lib/commonjs/cli/structure-info/model.js +15 -15
  34. package/lib/commonjs/cli/structure-info/volume.js +9 -9
  35. package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
  36. package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
  37. package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
  38. package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
  39. package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
  40. package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
  41. package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
  42. package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
  43. package/lib/commonjs/examples/lighting/index.js +6 -6
  44. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
  45. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
  46. package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
  47. package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
  48. package/lib/commonjs/examples/task.js +15 -15
  49. package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
  50. package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
  51. package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
  52. package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
  53. package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
  54. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
  55. package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
  56. package/lib/commonjs/extensions/anvil/behavior.js +14 -14
  57. package/lib/commonjs/extensions/anvil/prop.js +7 -7
  58. package/lib/commonjs/extensions/anvil/representation.js +5 -5
  59. package/lib/commonjs/extensions/cellpack/index.js +1 -1
  60. package/lib/commonjs/extensions/cellpack/model.js +26 -24
  61. package/lib/commonjs/extensions/cellpack/preset.js +6 -6
  62. package/lib/commonjs/extensions/cellpack/property.js +3 -3
  63. package/lib/commonjs/extensions/cellpack/representation.js +2 -2
  64. package/lib/commonjs/extensions/cellpack/state.js +13 -13
  65. package/lib/commonjs/extensions/cellpack/util.js +14 -14
  66. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
  67. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
  68. package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
  69. package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
  70. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
  71. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
  72. package/lib/commonjs/extensions/g3d/data.js +6 -6
  73. package/lib/commonjs/extensions/g3d/format.js +14 -14
  74. package/lib/commonjs/extensions/g3d/model.js +4 -4
  75. package/lib/commonjs/extensions/geo-export/controls.js +3 -3
  76. package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
  77. package/lib/commonjs/extensions/geo-export/index.js +1 -1
  78. package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
  79. package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
  80. package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
  81. package/lib/commonjs/extensions/geo-export/ui.js +7 -7
  82. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
  83. package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
  84. package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
  85. package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
  86. package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
  87. package/lib/commonjs/extensions/model-export/export.js +4 -4
  88. package/lib/commonjs/extensions/model-export/index.js +1 -1
  89. package/lib/commonjs/extensions/model-export/ui.js +5 -5
  90. package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
  91. package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
  92. package/lib/commonjs/extensions/mp4-export/index.js +1 -1
  93. package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
  94. package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
  95. package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
  96. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  97. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
  98. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
  99. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
  100. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
  101. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
  102. package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
  103. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
  104. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
  105. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -5
  106. package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
  107. package/lib/commonjs/extensions/zenodo/index.js +35 -0
  108. package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
  109. package/lib/commonjs/extensions/zenodo/ui.js +306 -0
  110. package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
  111. package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
  112. package/lib/commonjs/mol-canvas3d/camera.js +2 -1
  113. package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
  114. package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
  115. package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
  116. package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
  117. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
  118. package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
  119. package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
  120. package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
  121. package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
  122. package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
  123. package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
  124. package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
  125. package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
  126. package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
  127. package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
  128. package/lib/commonjs/mol-canvas3d/util.js +2 -2
  129. package/lib/commonjs/mol-data/db/column.js +2 -2
  130. package/lib/commonjs/mol-data/db/table.js +1 -1
  131. package/lib/commonjs/mol-data/db.js +1 -1
  132. package/lib/commonjs/mol-data/generic.js +3 -3
  133. package/lib/commonjs/mol-data/index.js +4 -4
  134. package/lib/commonjs/mol-data/int/interval.js +1 -1
  135. package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
  136. package/lib/commonjs/mol-data/int/segmentation.js +1 -1
  137. package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
  138. package/lib/commonjs/mol-data/util.js +7 -7
  139. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
  140. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
  141. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
  142. package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
  143. package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
  144. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
  145. package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
  146. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
  147. package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
  148. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
  149. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
  150. package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
  151. package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
  152. package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
  153. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  154. package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
  155. package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
  156. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
  157. package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
  158. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
  159. package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
  160. package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
  161. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  162. package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
  163. package/lib/commonjs/mol-geo/primitive/star.js +1 -1
  164. package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
  165. package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
  166. package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
  167. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
  168. package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
  169. package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
  170. package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
  171. package/lib/commonjs/mol-gl/compute/util.js +3 -3
  172. package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
  173. package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
  174. package/lib/commonjs/mol-gl/renderable/image.js +3 -3
  175. package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
  176. package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
  177. package/lib/commonjs/mol-gl/renderable/points.js +3 -3
  178. package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
  179. package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
  180. package/lib/commonjs/mol-gl/renderable/text.js +3 -3
  181. package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
  182. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  183. package/lib/commonjs/mol-gl/shader-code.js +2 -1
  184. package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
  185. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  186. package/lib/commonjs/mol-gl/webgl/context.js +5 -5
  187. package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
  188. package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
  189. package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
  190. package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
  191. package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
  192. package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
  193. package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
  194. package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
  195. package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
  196. package/lib/commonjs/mol-io/common/typed-array.js +2 -2
  197. package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
  198. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
  199. package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
  200. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
  201. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
  202. package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
  203. package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
  204. package/lib/commonjs/mol-io/reader/cif.js +1 -1
  205. package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
  206. package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
  207. package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
  208. package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
  209. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  210. package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
  211. package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
  212. package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
  213. package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
  214. package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
  215. package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
  216. package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
  217. package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
  218. package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
  219. package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
  220. package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
  221. package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
  222. package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
  223. package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
  224. package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
  225. package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
  226. package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
  227. package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
  228. package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
  229. package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
  230. package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
  231. package/lib/commonjs/mol-io/writer/cif.js +1 -1
  232. package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
  233. package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
  234. package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
  235. package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
  236. package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
  237. package/lib/commonjs/mol-math/geometry/common.js +1 -1
  238. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
  239. package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +6 -6
  240. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
  241. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +8 -8
  242. package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
  243. package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
  244. package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
  245. package/lib/commonjs/mol-math/geometry/molecular-surface.js +10 -10
  246. package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
  247. package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +13 -7
  248. package/lib/commonjs/mol-math/geometry.js +8 -8
  249. package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
  250. package/lib/commonjs/mol-math/graph.js +1 -1
  251. package/lib/commonjs/mol-math/linear-algebra.js +2 -2
  252. package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
  253. package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
  254. package/lib/commonjs/mol-model/sequence.js +1 -1
  255. package/lib/commonjs/mol-model/shape.js +1 -1
  256. package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
  257. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
  258. package/lib/commonjs/mol-model/structure/model/model.js +3 -3
  259. package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
  260. package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
  261. package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
  262. package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
  263. package/lib/commonjs/mol-model/structure/model.js +3 -3
  264. package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
  265. package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
  266. package/lib/commonjs/mol-model/structure/query.js +6 -6
  267. package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
  268. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
  269. package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
  270. package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
  271. package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
  272. package/lib/commonjs/mol-model/structure/structure/structure.js +9 -6
  273. package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
  274. package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
  275. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
  276. package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +6 -4
  277. package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
  278. package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
  279. package/lib/commonjs/mol-model/structure/structure/unit.js +5 -22
  280. package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
  281. package/lib/commonjs/mol-model/structure/structure.js +2 -2
  282. package/lib/commonjs/mol-model/structure/topology.js +1 -1
  283. package/lib/commonjs/mol-model/structure.js +6 -6
  284. package/lib/commonjs/mol-model/volume.js +2 -2
  285. package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
  286. package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
  287. package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
  288. package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
  289. package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
  290. package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
  291. package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
  292. package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
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  872. package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +10 -1
  873. package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +10 -1
  874. package/lib/mol-repr/structure/visual/element-point.d.ts +1 -1
  875. package/lib/mol-repr/structure/visual/element-point.js +22 -3
  876. package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
  877. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
  878. package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
  879. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
  880. package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
  881. package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
  882. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
  883. package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
  884. package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
  885. package/lib/mol-repr/structure/visual/util/common.js +1 -24
  886. package/lib/mol-repr/structure/visual/util/element.js +36 -2
  887. package/lib/mol-repr/structure/visual/util/link.d.ts +13 -3
  888. package/lib/mol-repr/structure/visual/util/link.js +55 -6
  889. package/lib/mol-script/language/builder.d.ts +1 -0
  890. package/lib/mol-script/language/parser.js +7 -4
  891. package/lib/mol-task/util/scheduler.d.ts +2 -2
  892. package/lib/mol-task/util/scheduler.js +7 -7
  893. package/lib/mol-theme/color/hydrophobicity.js +2 -2
  894. package/lib/mol-util/data-source.js +2 -1
  895. package/lib/mol-util/file-info.d.ts +1 -3
  896. package/lib/mol-util/file-info.js +2 -10
  897. package/lib/mol-util/index.d.ts +1 -0
  898. package/lib/mol-util/index.js +5 -0
  899. package/lib/mol-util/zip/deflate.js +2 -1
  900. package/lib/mol-util/zip/zip.d.ts +7 -1
  901. package/lib/mol-util/zip/zip.js +5 -1
  902. package/lib/servers/model/config.d.ts +2 -2
  903. package/package.json +160 -160
  904. package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
  905. package/lib/mol-plugin-state/formats/structure.js +0 -61
@@ -7,10 +7,10 @@
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
9
  var tslib_1 = require("tslib");
10
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
11
- var util = (0, tslib_1.__importStar)(require("util"));
12
- var path = (0, tslib_1.__importStar)(require("path"));
13
- var fs = (0, tslib_1.__importStar)(require("fs"));
10
+ var argparse = tslib_1.__importStar(require("argparse"));
11
+ var util = tslib_1.__importStar(require("util"));
12
+ var path = tslib_1.__importStar(require("path"));
13
+ var fs = tslib_1.__importStar(require("fs"));
14
14
  require('util.promisify').shim();
15
15
  var writeFile = util.promisify(fs.writeFile);
16
16
  var db_1 = require("../../mol-data/db");
@@ -103,7 +103,7 @@ function checkAddingAtomsFromPVCD(pvcd) {
103
103
  }
104
104
  }
105
105
  function createBonds(ccd, pvcd, atomsRequested) {
106
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
106
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
107
107
  function addBonds(compId, ccb, protonationVariant) {
108
108
  for (var i = 0, il = ccb._rowCount; i < il; ++i) {
109
109
  var atomId1 = ccb.atom_id_1.value(i);
@@ -122,7 +122,7 @@ function createBonds(ccd, pvcd, atomsRequested) {
122
122
  }
123
123
  }
124
124
  var ccbSet, comp_id, atom_id_1, atom_id_2, value_order, pdbx_aromatic_flag, pdbx_stereo_config, molstar_protonation_variant, k, _a, chem_comp, chem_comp_bond, parentIds, i, il, k, _b, chem_comp, chem_comp_bond, bondTable, bondDatabase;
125
- return (0, tslib_1.__generator)(this, function (_c) {
125
+ return tslib_1.__generator(this, function (_c) {
126
126
  ccbSet = new Set();
127
127
  comp_id = [];
128
128
  atom_id_1 = [];
@@ -223,9 +223,9 @@ function createAtoms(ccd, pvcd) {
223
223
  function run(out, binary, forceDownload, ccaOut) {
224
224
  if (binary === void 0) { binary = false; }
225
225
  if (forceDownload === void 0) { forceDownload = false; }
226
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
226
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
227
227
  var ccd, pvcd, _a, bonds, atoms, ccbCif, ccaCif;
228
- return (0, tslib_1.__generator)(this, function (_b) {
228
+ return tslib_1.__generator(this, function (_b) {
229
229
  switch (_b.label) {
230
230
  case 0: return [4 /*yield*/, (0, util_1.ensureDataAvailable)(forceDownload)];
231
231
  case 1:
@@ -7,11 +7,11 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.getEncodedCif = exports.readPVCD = exports.readCCD = exports.readFileAsCollection = exports.ensureDataAvailable = exports.ensureAvailable = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var util = (0, tslib_1.__importStar)(require("util"));
11
- var path = (0, tslib_1.__importStar)(require("path"));
12
- var fs = (0, tslib_1.__importStar)(require("fs"));
13
- var zlib = (0, tslib_1.__importStar)(require("zlib"));
14
- var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
10
+ var util = tslib_1.__importStar(require("util"));
11
+ var path = tslib_1.__importStar(require("path"));
12
+ var fs = tslib_1.__importStar(require("fs"));
13
+ var zlib = tslib_1.__importStar(require("zlib"));
14
+ var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
15
15
  require('util.promisify').shim();
16
16
  var readFile = util.promisify(fs.readFile);
17
17
  var writeFile = util.promisify(fs.writeFile);
@@ -21,9 +21,9 @@ var cif_2 = require("../../mol-io/writer/cif");
21
21
  var ccd_1 = require("../../mol-io/reader/cif/schema/ccd");
22
22
  function ensureAvailable(path, url, forceDownload) {
23
23
  if (forceDownload === void 0) { forceDownload = false; }
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 data, _a, _b, _c, _d, _e, _f;
26
- return (0, tslib_1.__generator)(this, function (_g) {
26
+ return tslib_1.__generator(this, function (_g) {
27
27
  switch (_g.label) {
28
28
  case 0:
29
29
  if (!(forceDownload || !fs.existsSync(path))) return [3 /*break*/, 8];
@@ -62,8 +62,8 @@ function ensureAvailable(path, url, forceDownload) {
62
62
  exports.ensureAvailable = ensureAvailable;
63
63
  function ensureDataAvailable(forceDownload) {
64
64
  if (forceDownload === void 0) { forceDownload = false; }
65
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
66
- return (0, tslib_1.__generator)(this, function (_a) {
65
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
66
+ return tslib_1.__generator(this, function (_a) {
67
67
  switch (_a.label) {
68
68
  case 0: return [4 /*yield*/, ensureAvailable(CCD_PATH, CCD_URL, forceDownload)];
69
69
  case 1:
@@ -78,9 +78,9 @@ function ensureDataAvailable(forceDownload) {
78
78
  }
79
79
  exports.ensureDataAvailable = ensureDataAvailable;
80
80
  function readFileAsCollection(path, schema) {
81
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
81
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
82
82
  var parsed, _a;
83
- return (0, tslib_1.__generator)(this, function (_b) {
83
+ return tslib_1.__generator(this, function (_b) {
84
84
  switch (_b.label) {
85
85
  case 0:
86
86
  _a = parseCif;
@@ -95,25 +95,25 @@ function readFileAsCollection(path, schema) {
95
95
  }
96
96
  exports.readFileAsCollection = readFileAsCollection;
97
97
  function readCCD() {
98
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
99
- return (0, tslib_1.__generator)(this, function (_a) {
98
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
99
+ return tslib_1.__generator(this, function (_a) {
100
100
  return [2 /*return*/, readFileAsCollection(CCD_PATH, ccd_1.CCD_Schema)];
101
101
  });
102
102
  });
103
103
  }
104
104
  exports.readCCD = readCCD;
105
105
  function readPVCD() {
106
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
107
- return (0, tslib_1.__generator)(this, function (_a) {
106
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
107
+ return tslib_1.__generator(this, function (_a) {
108
108
  return [2 /*return*/, readFileAsCollection(PVCD_PATH, ccd_1.CCD_Schema)];
109
109
  });
110
110
  });
111
111
  }
112
112
  exports.readPVCD = readPVCD;
113
113
  function parseCif(data) {
114
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
114
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
115
115
  var comp, parsed;
116
- return (0, tslib_1.__generator)(this, function (_a) {
116
+ return tslib_1.__generator(this, function (_a) {
117
117
  switch (_a.label) {
118
118
  case 0:
119
119
  comp = cif_1.CIF.parse(data);
@@ -10,9 +10,9 @@ exports.convert = void 0;
10
10
  var tslib_1 = require("tslib");
11
11
  var cif_1 = require("../../mol-io/reader/cif");
12
12
  var cif_2 = require("../../mol-io/writer/cif");
13
- var util = (0, tslib_1.__importStar)(require("util"));
14
- var fs = (0, tslib_1.__importStar)(require("fs"));
15
- var zlib = (0, tslib_1.__importStar)(require("zlib"));
13
+ var util = tslib_1.__importStar(require("util"));
14
+ var fs = tslib_1.__importStar(require("fs"));
15
+ var zlib = tslib_1.__importStar(require("zlib"));
16
16
  var mol_task_1 = require("../../mol-task");
17
17
  var binary_cif_1 = require("../../mol-io/common/binary-cif");
18
18
  var encoder_1 = require("../../mol-io/writer/cif/encoder");
@@ -23,9 +23,9 @@ function showProgress(p) {
23
23
  var readFileAsync = util.promisify(fs.readFile);
24
24
  var unzipAsync = util.promisify(zlib.unzip);
25
25
  function readFile(ctx, filename) {
26
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
26
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
27
27
  var isGz, input, str, data, _a;
28
- return (0, tslib_1.__generator)(this, function (_b) {
28
+ return tslib_1.__generator(this, function (_b) {
29
29
  switch (_b.label) {
30
30
  case 0:
31
31
  isGz = /\.gz$/i.test(filename);
@@ -61,9 +61,9 @@ function readFile(ctx, filename) {
61
61
  });
62
62
  }
63
63
  function getCIF(ctx, filename) {
64
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
64
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
65
65
  var parsed;
66
- return (0, tslib_1.__generator)(this, function (_a) {
66
+ return tslib_1.__generator(this, function (_a) {
67
67
  switch (_a.label) {
68
68
  case 0: return [4 /*yield*/, readFile(ctx, filename)];
69
69
  case 1:
@@ -99,9 +99,9 @@ function classify(name, field) {
99
99
  function convert(path, asText, hints, filter) {
100
100
  var _this = this;
101
101
  if (asText === void 0) { asText = false; }
102
- return mol_task_1.Task.create('BinaryCIF', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
102
+ return mol_task_1.Task.create('Convert CIF', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
103
103
  var encodingProvider, cif, encoder, maxProgress, _i, _a, b, _b, _c, c, current, _d, _e, b, _f, _g, c, cat, fields, _h, _j, f, ret;
104
- return (0, tslib_1.__generator)(this, function (_k) {
104
+ return tslib_1.__generator(this, function (_k) {
105
105
  switch (_k.label) {
106
106
  case 0:
107
107
  encodingProvider = hints
@@ -8,21 +8,21 @@
8
8
  */
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  var tslib_1 = require("tslib");
11
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
12
- var util = (0, tslib_1.__importStar)(require("util"));
13
- var fs = (0, tslib_1.__importStar)(require("fs"));
14
- var zlib = (0, tslib_1.__importStar)(require("zlib"));
11
+ var argparse = tslib_1.__importStar(require("argparse"));
12
+ var util = tslib_1.__importStar(require("util"));
13
+ var fs = tslib_1.__importStar(require("fs"));
14
+ var zlib = tslib_1.__importStar(require("zlib"));
15
15
  var converter_1 = require("./converter");
16
16
  require('util.promisify').shim();
17
17
  function process(srcPath, outPath, configPath, filterPath) {
18
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
18
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
19
19
  var config, filter, res;
20
- return (0, tslib_1.__generator)(this, function (_a) {
20
+ return tslib_1.__generator(this, function (_a) {
21
21
  switch (_a.label) {
22
22
  case 0:
23
23
  config = configPath ? JSON.parse(fs.readFileSync(configPath, 'utf8')) : void 0;
24
24
  filter = filterPath ? fs.readFileSync(filterPath, 'utf8') : void 0;
25
- return [4 /*yield*/, (0, converter_1.convert)(srcPath, false, config, filter)];
25
+ return [4 /*yield*/, (0, converter_1.convert)(srcPath, srcPath.toLowerCase().indexOf('.bcif') > 0, config, filter)];
26
26
  case 1:
27
27
  res = _a.sent();
28
28
  return [4 /*yield*/, write(outPath, res)];
@@ -35,9 +35,9 @@ function process(srcPath, outPath, configPath, filterPath) {
35
35
  }
36
36
  var zipAsync = util.promisify(zlib.gzip);
37
37
  function write(outPath, res) {
38
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
38
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
39
39
  var isGz;
40
- return (0, tslib_1.__generator)(this, function (_a) {
40
+ return tslib_1.__generator(this, function (_a) {
41
41
  switch (_a.label) {
42
42
  case 0:
43
43
  isGz = /\.gz$/i.test(outPath);
@@ -58,13 +58,13 @@ function run(args) {
58
58
  }
59
59
  var parser = new argparse.ArgumentParser({
60
60
  add_help: true,
61
- description: 'Convert any CIF file to a BCIF file'
61
+ description: 'Convert any BCIF file to a CIF file or vice versa'
62
62
  });
63
63
  parser.add_argument('src', {
64
- help: 'Source CIF path'
64
+ help: 'Source file path'
65
65
  });
66
66
  parser.add_argument('out', {
67
- help: 'Output BCIF path'
67
+ help: 'Output file path'
68
68
  });
69
69
  parser.add_argument('-c', '--config', {
70
70
  help: 'Optional encoding strategy/precision config path',
@@ -7,10 +7,10 @@
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
9
  var tslib_1 = require("tslib");
10
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
11
- var fs = (0, tslib_1.__importStar)(require("fs"));
12
- var path = (0, tslib_1.__importStar)(require("path"));
13
- var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
10
+ var argparse = tslib_1.__importStar(require("argparse"));
11
+ var fs = tslib_1.__importStar(require("fs"));
12
+ var path = tslib_1.__importStar(require("path"));
13
+ var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
14
14
  var parser_1 = require("../../mol-io/reader/csv/parser");
15
15
  var parser_2 = require("../../mol-io/reader/cif/text/parser");
16
16
  var cif_dic_1 = require("./util/cif-dic");
@@ -24,9 +24,9 @@ function getDicNamespace(block) {
24
24
  }
25
25
  function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
26
26
  if (typescript === void 0) { typescript = false; }
27
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
27
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
28
28
  var mmcifDic, ihmDic, maDic, mmcifDicVersion, ihmDicVersion, maDicVersion, version, frames, schema;
29
- return (0, tslib_1.__generator)(this, function (_a) {
29
+ return tslib_1.__generator(this, function (_a) {
30
30
  switch (_a.label) {
31
31
  case 0: return [4 /*yield*/, ensureMmcifDicAvailable()];
32
32
  case 1:
@@ -56,7 +56,7 @@ function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImpo
56
56
  ihmDicVersion = getDicVersion(ihmDic.result.blocks[0]);
57
57
  maDicVersion = getDicVersion(maDic.result.blocks[0]);
58
58
  version = "Dictionary versions: mmCIF ".concat(mmcifDicVersion, ", IHM ").concat(ihmDicVersion, ", MA ").concat(maDicVersion, ".");
59
- frames = (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], mmcifDic.result.blocks[0].saveFrames, true), ihmDic.result.blocks[0].saveFrames, true), maDic.result.blocks[0].saveFrames, true);
59
+ frames = tslib_1.__spreadArray(tslib_1.__spreadArray(tslib_1.__spreadArray([], mmcifDic.result.blocks[0].saveFrames, true), ihmDic.result.blocks[0].saveFrames, true), maDic.result.blocks[0].saveFrames, true);
60
60
  schema = (0, cif_dic_1.generateSchema)(frames);
61
61
  return [4 /*yield*/, runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases)];
62
62
  case 7:
@@ -68,9 +68,9 @@ function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImpo
68
68
  }
69
69
  function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
70
70
  if (typescript === void 0) { typescript = false; }
71
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
71
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
72
72
  var cifCoreDic, cifCoreDicVersion, version, frames, imports, schema;
73
- return (0, tslib_1.__generator)(this, function (_a) {
73
+ return tslib_1.__generator(this, function (_a) {
74
74
  switch (_a.label) {
75
75
  case 0: return [4 /*yield*/, ensureCifCoreDicAvailable()];
76
76
  case 1:
@@ -82,7 +82,7 @@ function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbIm
82
82
  throw cifCoreDic;
83
83
  cifCoreDicVersion = getDicVersion(cifCoreDic.result.blocks[0]);
84
84
  version = "Dictionary versions: CifCore ".concat(cifCoreDicVersion, ".");
85
- frames = (0, tslib_1.__spreadArray)([], cifCoreDic.result.blocks[0].saveFrames, true);
85
+ frames = tslib_1.__spreadArray([], cifCoreDic.result.blocks[0].saveFrames, true);
86
86
  return [4 /*yield*/, resolveImports(frames, DIC_DIR)];
87
87
  case 3:
88
88
  imports = _a.sent();
@@ -96,9 +96,9 @@ function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbIm
96
96
  });
97
97
  }
98
98
  function resolveImports(frames, baseDir) {
99
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
99
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
100
100
  var imports, _i, frames_1, d, importGet, _a, importGet_1, g, file, dic;
101
- return (0, tslib_1.__generator)(this, function (_b) {
101
+ return tslib_1.__generator(this, function (_b) {
102
102
  switch (_b.label) {
103
103
  case 0:
104
104
  imports = new Map();
@@ -124,7 +124,7 @@ function resolveImports(frames, baseDir) {
124
124
  dic = _b.sent();
125
125
  if (dic.isError)
126
126
  throw dic;
127
- imports.set(file, (0, tslib_1.__spreadArray)([], dic.result.blocks[0].saveFrames, true));
127
+ imports.set(file, tslib_1.__spreadArray([], dic.result.blocks[0].saveFrames, true));
128
128
  _b.label = 4;
129
129
  case 4:
130
130
  _a++;
@@ -139,9 +139,9 @@ function resolveImports(frames, baseDir) {
139
139
  }
140
140
  function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
141
141
  if (typescript === void 0) { typescript = false; }
142
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
142
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
143
143
  var dic, dicVersion, dicName, version, frames, imports, schema;
144
- return (0, tslib_1.__generator)(this, function (_a) {
144
+ return tslib_1.__generator(this, function (_a) {
145
145
  switch (_a.label) {
146
146
  case 0: return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(dicPath, 'utf8')).run()];
147
147
  case 1:
@@ -151,7 +151,7 @@ function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, mo
151
151
  dicVersion = getDicVersion(dic.result.blocks[0]);
152
152
  dicName = getDicNamespace(dic.result.blocks[0]);
153
153
  version = "Dictionary versions: ".concat(dicName, " ").concat(dicVersion, ".");
154
- frames = (0, tslib_1.__spreadArray)([], dic.result.blocks[0].saveFrames, true);
154
+ frames = tslib_1.__spreadArray([], dic.result.blocks[0].saveFrames, true);
155
155
  return [4 /*yield*/, resolveImports(frames, path.dirname(dicPath))];
156
156
  case 2:
157
157
  imports = _a.sent();
@@ -166,9 +166,9 @@ function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, mo
166
166
  }
167
167
  function runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
168
168
  if (typescript === void 0) { typescript = false; }
169
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
169
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
170
170
  var filter, _a, output;
171
- return (0, tslib_1.__generator)(this, function (_b) {
171
+ return tslib_1.__generator(this, function (_b) {
172
172
  switch (_b.label) {
173
173
  case 0:
174
174
  if (!fieldNamesPath) return [3 /*break*/, 2];
@@ -194,9 +194,9 @@ function runGenerateSchema(name, version, schema, fieldNamesPath, typescript, ou
194
194
  });
195
195
  }
196
196
  function getFieldNamesFilter(fieldNamesPath) {
197
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
197
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
198
198
  var fieldNamesStr, parsed, csvFile, fieldNamesCol, fieldNames, filter;
199
- return (0, tslib_1.__generator)(this, function (_a) {
199
+ return tslib_1.__generator(this, function (_a) {
200
200
  switch (_a.label) {
201
201
  case 0:
202
202
  fieldNamesStr = fs.readFileSync(fieldNamesPath, 'utf8');
@@ -224,7 +224,7 @@ function getFieldNamesFilter(fieldNamesPath) {
224
224
  });
225
225
  }
226
226
  function ensureMmcifDicAvailable() {
227
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
227
+ return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
228
228
  switch (_a.label) {
229
229
  case 0: return [4 /*yield*/, ensureDicAvailable(MMCIF_DIC_PATH, MMCIF_DIC_URL)];
230
230
  case 1:
@@ -234,7 +234,7 @@ function ensureMmcifDicAvailable() {
234
234
  }); });
235
235
  }
236
236
  function ensureIhmDicAvailable() {
237
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
237
+ return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
238
238
  switch (_a.label) {
239
239
  case 0: return [4 /*yield*/, ensureDicAvailable(IHM_DIC_PATH, IHM_DIC_URL)];
240
240
  case 1:
@@ -244,7 +244,7 @@ function ensureIhmDicAvailable() {
244
244
  }); });
245
245
  }
246
246
  function ensureMaDicAvailable() {
247
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
247
+ return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
248
248
  switch (_a.label) {
249
249
  case 0: return [4 /*yield*/, ensureDicAvailable(MA_DIC_PATH, MA_DIC_URL)];
250
250
  case 1:
@@ -254,8 +254,8 @@ function ensureMaDicAvailable() {
254
254
  }); });
255
255
  }
256
256
  function ensureCifCoreDicAvailable() {
257
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
258
- return (0, tslib_1.__generator)(this, function (_a) {
257
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
258
+ return tslib_1.__generator(this, function (_a) {
259
259
  switch (_a.label) {
260
260
  case 0: return [4 /*yield*/, ensureDicAvailable(CIF_CORE_DIC_PATH, CIF_CORE_DIC_URL)];
261
261
  case 1:
@@ -272,9 +272,9 @@ function ensureCifCoreDicAvailable() {
272
272
  });
273
273
  }
274
274
  function ensureDicAvailable(dicPath, dicUrl) {
275
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
275
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
276
276
  var name_1, data, _a, _b, _c;
277
- return (0, tslib_1.__generator)(this, function (_d) {
277
+ return tslib_1.__generator(this, function (_d) {
278
278
  switch (_d.label) {
279
279
  case 0:
280
280
  if (!(FORCE_DIC_DOWNLOAD || !fs.existsSync(dicPath))) return [3 /*break*/, 3];
@@ -284,7 +284,7 @@ var EXTRA_ENUM_VALUES = {};
284
284
  function generateSchema(frames, imports) {
285
285
  if (imports === void 0) { imports = new Map(); }
286
286
  var tables = {};
287
- var aliases = (0, tslib_1.__assign)({}, EXTRA_ALIASES);
287
+ var aliases = tslib_1.__assign({}, EXTRA_ALIASES);
288
288
  var categories = {};
289
289
  var links = {};
290
290
  var ctx = { categories: categories, links: links };
@@ -7,18 +7,18 @@
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
9
  var tslib_1 = require("tslib");
10
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
11
- var fs = (0, tslib_1.__importStar)(require("fs"));
12
- var path = (0, tslib_1.__importStar)(require("path"));
13
- var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
10
+ var argparse = tslib_1.__importStar(require("argparse"));
11
+ var fs = tslib_1.__importStar(require("fs"));
12
+ var path = tslib_1.__importStar(require("path"));
13
+ var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
14
14
  var generic_1 = require("../../mol-data/generic");
15
15
  var LIPIDS_DIR = path.resolve(__dirname, '../../../../build/lipids/');
16
16
  var MARTINI_LIPIDS_PATH = path.resolve(LIPIDS_DIR, 'martini_lipids.itp');
17
17
  var MARTINI_LIPIDS_URL = 'http://www.cgmartini.nl/images/parameters/lipids/Collections/martini_v2.0_lipids_all_201506.itp';
18
18
  function ensureAvailable(path, url) {
19
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
19
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
20
20
  var name_1, data, _a, _b, _c;
21
- return (0, tslib_1.__generator)(this, function (_d) {
21
+ return tslib_1.__generator(this, function (_d) {
22
22
  switch (_d.label) {
23
23
  case 0:
24
24
  if (!(FORCE_DOWNLOAD || !fs.existsSync(path))) return [3 /*break*/, 3];
@@ -43,7 +43,7 @@ function ensureAvailable(path, url) {
43
43
  });
44
44
  }
45
45
  function ensureLipidsAvailable() {
46
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
46
+ return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
47
47
  switch (_a.label) {
48
48
  case 0: return [4 /*yield*/, ensureAvailable(MARTINI_LIPIDS_PATH, MARTINI_LIPIDS_URL)];
49
49
  case 1:
@@ -54,9 +54,9 @@ function ensureLipidsAvailable() {
54
54
  }
55
55
  var extraLipids = ['DMPC'];
56
56
  function run(out) {
57
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
57
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
58
58
  var lipidsItpStr, lipids, reLipid, m, v, _i, extraLipids_1, v, lipidNames, output;
59
- return (0, tslib_1.__generator)(this, function (_a) {
59
+ return tslib_1.__generator(this, function (_a) {
60
60
  switch (_a.label) {
61
61
  case 0: return [4 /*yield*/, ensureLipidsAvailable()];
62
62
  case 1:
@@ -7,10 +7,10 @@
7
7
  */
8
8
  Object.defineProperty(exports, "__esModule", { value: true });
9
9
  var tslib_1 = require("tslib");
10
- var _ = (0, tslib_1.__importStar)(require("../../mol-plugin-state/transforms"));
10
+ var _ = tslib_1.__importStar(require("../../mol-plugin-state/transforms"));
11
11
  var mol_state_1 = require("../../mol-state");
12
12
  var mol_util_1 = require("../../mol-util");
13
- var fs = (0, tslib_1.__importStar)(require("fs"));
13
+ var fs = tslib_1.__importStar(require("fs"));
14
14
  var pd_to_md_1 = require("./pd-to-md");
15
15
  var context_1 = require("../../mol-plugin/context");
16
16
  var param_definition_1 = require("../../mol-util/param-definition");
@@ -7,17 +7,17 @@
7
7
  Object.defineProperty(exports, "__esModule", { value: true });
8
8
  exports.downloadCif = exports.openCif = void 0;
9
9
  var tslib_1 = require("tslib");
10
- var util = (0, tslib_1.__importStar)(require("util"));
11
- var fs = (0, tslib_1.__importStar)(require("fs"));
12
- var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
10
+ var util = tslib_1.__importStar(require("util"));
11
+ var fs = tslib_1.__importStar(require("fs"));
12
+ var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
13
13
  require('util.promisify').shim();
14
14
  var cif_1 = require("../../mol-io/reader/cif");
15
15
  var mol_task_1 = require("../../mol-task");
16
16
  var readFileAsync = util.promisify(fs.readFile);
17
17
  function readFile(path) {
18
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
18
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
19
19
  var input, data, i;
20
- return (0, tslib_1.__generator)(this, function (_a) {
20
+ return tslib_1.__generator(this, function (_a) {
21
21
  switch (_a.label) {
22
22
  case 0:
23
23
  if (!path.match(/\.bcif$/)) return [3 /*break*/, 2];
@@ -34,9 +34,9 @@ function readFile(path) {
34
34
  });
35
35
  }
36
36
  function parseCif(data) {
37
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
37
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
38
38
  var comp, parsed;
39
- return (0, tslib_1.__generator)(this, function (_a) {
39
+ return tslib_1.__generator(this, function (_a) {
40
40
  switch (_a.label) {
41
41
  case 0:
42
42
  comp = cif_1.CIF.parse(data);
@@ -51,9 +51,9 @@ function parseCif(data) {
51
51
  });
52
52
  }
53
53
  function openCif(path) {
54
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
54
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
55
55
  var data;
56
- return (0, tslib_1.__generator)(this, function (_a) {
56
+ return tslib_1.__generator(this, function (_a) {
57
57
  switch (_a.label) {
58
58
  case 0: return [4 /*yield*/, readFile(path)];
59
59
  case 1:
@@ -65,9 +65,9 @@ function openCif(path) {
65
65
  }
66
66
  exports.openCif = openCif;
67
67
  function downloadCif(url, isBinary) {
68
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
68
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
69
69
  var data, _a, _b, _c;
70
- return (0, tslib_1.__generator)(this, function (_d) {
70
+ return tslib_1.__generator(this, function (_d) {
71
71
  switch (_d.label) {
72
72
  case 0: return [4 /*yield*/, (0, node_fetch_1.default)(url)];
73
73
  case 1:
@@ -9,7 +9,7 @@
9
9
  Object.defineProperty(exports, "__esModule", { value: true });
10
10
  exports.getModelsAndStructure = exports.printModelStats = exports.printSymmetryInfo = exports.printUnits = exports.printRings = exports.printSequence = exports.printBonds = exports.printSecStructure = exports.residueLabel = exports.atomLabel = exports.readCifFile = void 0;
11
11
  var tslib_1 = require("tslib");
12
- var argparse = (0, tslib_1.__importStar)(require("argparse"));
12
+ var argparse = tslib_1.__importStar(require("argparse"));
13
13
  require('util.promisify').shim();
14
14
  var structure_1 = require("../../mol-model/structure");
15
15
  // import { Run, Progress } from '../../mol-task'
@@ -22,9 +22,9 @@ var secondary_structure_1 = require("../../mol-model-formats/structure/property/
22
22
  var symmetry_1 = require("../../mol-model-formats/structure/property/symmetry");
23
23
  var mol_task_1 = require("../../mol-task");
24
24
  function downloadFromPdb(pdb) {
25
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
25
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
26
26
  var parsed;
27
- return (0, tslib_1.__generator)(this, function (_a) {
27
+ return tslib_1.__generator(this, function (_a) {
28
28
  switch (_a.label) {
29
29
  case 0: return [4 /*yield*/, (0, helpers_1.downloadCif)("http://www.ebi.ac.uk/pdbe/static/entry/".concat(pdb, "_updated.cif"), false)];
30
30
  case 1:
@@ -35,9 +35,9 @@ function downloadFromPdb(pdb) {
35
35
  });
36
36
  }
37
37
  function readCifFile(path) {
38
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
38
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
39
39
  var parsed;
40
- return (0, tslib_1.__generator)(this, function (_a) {
40
+ return tslib_1.__generator(this, function (_a) {
41
41
  switch (_a.label) {
42
42
  case 0: return [4 /*yield*/, (0, helpers_1.openCif)(path)];
43
43
  case 1:
@@ -210,9 +210,9 @@ function printSymmetryInfo(model) {
210
210
  }
211
211
  exports.printSymmetryInfo = printSymmetryInfo;
212
212
  function printModelStats(models) {
213
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
213
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
214
214
  var i, m;
215
- return (0, tslib_1.__generator)(this, function (_a) {
215
+ return tslib_1.__generator(this, function (_a) {
216
216
  switch (_a.label) {
217
217
  case 0:
218
218
  console.log('\nModels\n=============');
@@ -242,9 +242,9 @@ function printModelStats(models) {
242
242
  }
243
243
  exports.printModelStats = printModelStats;
244
244
  function getModelsAndStructure(frame) {
245
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
245
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
246
246
  var models, structure;
247
- return (0, tslib_1.__generator)(this, function (_a) {
247
+ return tslib_1.__generator(this, function (_a) {
248
248
  switch (_a.label) {
249
249
  case 0: return [4 /*yield*/, (0, mmcif_1.trajectoryFromMmCIF)(frame).run()];
250
250
  case 1:
@@ -257,9 +257,9 @@ function getModelsAndStructure(frame) {
257
257
  }
258
258
  exports.getModelsAndStructure = getModelsAndStructure;
259
259
  function run(frame, args) {
260
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
260
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
261
261
  var _a, models, structure;
262
- return (0, tslib_1.__generator)(this, function (_b) {
262
+ return tslib_1.__generator(this, function (_b) {
263
263
  switch (_b.label) {
264
264
  case 0: return [4 /*yield*/, getModelsAndStructure(frame)];
265
265
  case 1:
@@ -286,9 +286,9 @@ function run(frame, args) {
286
286
  });
287
287
  }
288
288
  function runDL(pdb, args) {
289
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
289
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
290
290
  var mmcif;
291
- return (0, tslib_1.__generator)(this, function (_a) {
291
+ return tslib_1.__generator(this, function (_a) {
292
292
  switch (_a.label) {
293
293
  case 0: return [4 /*yield*/, downloadFromPdb(pdb)];
294
294
  case 1:
@@ -300,9 +300,9 @@ function runDL(pdb, args) {
300
300
  });
301
301
  }
302
302
  function runFile(filename, args) {
303
- return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
303
+ return tslib_1.__awaiter(this, void 0, void 0, function () {
304
304
  var mmcif;
305
- return (0, tslib_1.__generator)(this, function (_a) {
305
+ return tslib_1.__generator(this, function (_a) {
306
306
  switch (_a.label) {
307
307
  case 0: return [4 /*yield*/, readCifFile(filename)];
308
308
  case 1: