molstar 2.3.7 → 2.3.8

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 (1415) hide show
  1. package/build/viewer/molstar.css +1 -2
  2. package/build/viewer/molstar.js +1 -1
  3. package/lib/apps/docking-viewer/index.js +1 -1
  4. package/lib/apps/docking-viewer/index.js.map +1 -1
  5. package/lib/apps/viewer/index.d.ts +1 -1
  6. package/lib/apps/viewer/index.js +3 -3
  7. package/lib/apps/viewer/index.js.map +1 -1
  8. package/lib/cli/chem-comp-dict/create-ions.js +1 -1
  9. package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
  10. package/lib/cli/chem-comp-dict/create-table.js +3 -3
  11. package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
  12. package/lib/cli/chem-comp-dict/util.js +2 -2
  13. package/lib/cli/chem-comp-dict/util.js.map +1 -1
  14. package/lib/cli/cif2bcif/converter.js +2 -2
  15. package/lib/cli/cif2bcif/converter.js.map +1 -1
  16. package/lib/cli/cifschema/index.js +12 -12
  17. package/lib/cli/cifschema/index.js.map +1 -1
  18. package/lib/cli/cifschema/util/cif-dic.js +19 -19
  19. package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
  20. package/lib/cli/cifschema/util/generate.js +21 -21
  21. package/lib/cli/cifschema/util/generate.js.map +1 -1
  22. package/lib/cli/cifschema/util/schema.js +1 -1
  23. package/lib/cli/cifschema/util/schema.js.map +1 -1
  24. package/lib/cli/lipid-params/index.js +3 -3
  25. package/lib/cli/lipid-params/index.js.map +1 -1
  26. package/lib/cli/state-docs/index.js +4 -4
  27. package/lib/cli/state-docs/index.js.map +1 -1
  28. package/lib/cli/state-docs/pd-to-md.js +10 -10
  29. package/lib/cli/state-docs/pd-to-md.js.map +1 -1
  30. package/lib/cli/structure-info/model.js +18 -18
  31. package/lib/cli/structure-info/model.js.map +1 -1
  32. package/lib/cli/structure-info/volume.js +1 -1
  33. package/lib/cli/structure-info/volume.js.map +1 -1
  34. package/lib/commonjs/apps/docking-viewer/index.js +1 -1
  35. package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
  36. package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
  37. package/lib/commonjs/apps/viewer/index.d.ts +7 -7
  38. package/lib/commonjs/apps/viewer/index.js +3 -3
  39. package/lib/commonjs/apps/viewer/index.js.map +1 -1
  40. package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
  41. package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
  42. package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
  43. package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
  44. package/lib/commonjs/cli/chem-comp-dict/util.d.ts +4 -4
  45. package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
  46. package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
  47. package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
  48. package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
  49. package/lib/commonjs/cli/cifschema/index.js +12 -12
  50. package/lib/commonjs/cli/cifschema/index.js.map +1 -1
  51. package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
  52. package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
  53. package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
  54. package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
  55. package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
  56. package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
  57. package/lib/commonjs/cli/lipid-params/index.js +3 -3
  58. package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
  59. package/lib/commonjs/cli/state-docs/index.js +4 -4
  60. package/lib/commonjs/cli/state-docs/index.js.map +1 -1
  61. package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
  62. package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
  63. package/lib/commonjs/cli/structure-info/model.js +18 -18
  64. package/lib/commonjs/cli/structure-info/model.js.map +1 -1
  65. package/lib/commonjs/cli/structure-info/volume.js +1 -1
  66. package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
  67. package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
  68. package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
  69. package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
  70. package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
  71. package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
  72. package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
  73. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
  74. package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
  75. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
  76. package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
  77. package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
  78. package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
  79. package/lib/commonjs/examples/task.js +6 -6
  80. package/lib/commonjs/examples/task.js.map +1 -1
  81. package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
  82. package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
  83. package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
  84. package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
  85. package/lib/commonjs/extensions/anvil/representation.js +1 -1
  86. package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
  87. package/lib/commonjs/extensions/cellpack/model.js +15 -15
  88. package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
  89. package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
  90. package/lib/commonjs/extensions/cellpack/state.js +5 -5
  91. package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
  92. package/lib/commonjs/extensions/cellpack/util.js +4 -4
  93. package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
  94. package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
  95. package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +6 -6
  96. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
  97. package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
  98. package/lib/commonjs/extensions/g3d/data.js +2 -2
  99. package/lib/commonjs/extensions/g3d/data.js.map +1 -1
  100. package/lib/commonjs/extensions/g3d/model.js +2 -2
  101. package/lib/commonjs/extensions/g3d/model.js.map +1 -1
  102. package/lib/commonjs/extensions/geo-export/controls.js +2 -2
  103. package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
  104. package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
  105. package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
  106. package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
  107. package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
  108. package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
  109. package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
  110. package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
  111. package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
  112. package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
  113. package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
  114. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
  115. package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
  116. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
  117. package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
  118. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -6
  119. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
  120. package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
  121. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
  122. package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
  123. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
  124. package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
  125. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
  126. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
  127. package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
  128. package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
  129. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
  130. package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
  131. package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
  132. package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
  133. package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +10 -10
  134. package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
  135. package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
  136. package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +8 -8
  137. package/lib/commonjs/mol-canvas3d/canvas3d.js +3 -3
  138. package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
  139. package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +2 -2
  140. package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +3 -3
  141. package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
  142. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
  143. package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
  144. package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
  145. package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
  146. package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
  147. package/lib/commonjs/mol-canvas3d/util.js +1 -1
  148. package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
  149. package/lib/commonjs/mol-data/db/table.js +1 -1
  150. package/lib/commonjs/mol-data/db/table.js.map +1 -1
  151. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
  152. package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
  153. package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
  154. package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
  155. package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
  156. package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
  157. package/lib/commonjs/mol-data/int/tuple.js +1 -1
  158. package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
  159. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
  160. package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
  161. package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -3
  162. package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
  163. package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -1
  164. package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
  165. package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -1
  166. package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
  167. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
  168. package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
  169. package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -3
  170. package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
  171. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
  172. package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
  173. package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
  174. package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
  175. package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
  176. package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
  177. package/lib/commonjs/mol-gl/_spec/gl.shim.js +4 -4
  178. package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
  179. package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
  180. package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
  181. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
  182. package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
  183. package/lib/commonjs/mol-gl/renderable/util.js +1 -1
  184. package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
  185. package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
  186. package/lib/commonjs/mol-gl/scene.js +1 -1
  187. package/lib/commonjs/mol-gl/scene.js.map +1 -1
  188. package/lib/commonjs/mol-gl/shader-code.js +8 -8
  189. package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
  190. package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
  191. package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
  192. package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
  193. package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
  194. package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
  195. package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
  196. package/lib/commonjs/mol-gl/webgl/context.js +2 -2
  197. package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
  198. package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
  199. package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
  200. package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
  201. package/lib/commonjs/mol-gl/webgl/program.js +14 -12
  202. package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
  203. package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
  204. package/lib/commonjs/mol-gl/webgl/render-item.js +6 -3
  205. package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
  206. package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
  207. package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
  208. package/lib/commonjs/mol-gl/webgl/shader.js +3 -3
  209. package/lib/commonjs/mol-gl/webgl/shader.js.map +1 -1
  210. package/lib/commonjs/mol-gl/webgl/state.d.ts +4 -1
  211. package/lib/commonjs/mol-gl/webgl/state.js +25 -1
  212. package/lib/commonjs/mol-gl/webgl/state.js.map +1 -1
  213. package/lib/commonjs/mol-gl/webgl/texture.js +2 -2
  214. package/lib/commonjs/mol-gl/webgl/texture.js.map +1 -1
  215. package/lib/commonjs/mol-gl/webgl/uniform.js +2 -2
  216. package/lib/commonjs/mol-gl/webgl/uniform.js.map +1 -1
  217. package/lib/commonjs/mol-io/common/file-handle.js +1 -1
  218. package/lib/commonjs/mol-io/common/file-handle.js.map +1 -1
  219. package/lib/commonjs/mol-io/common/typed-array.js +1 -1
  220. package/lib/commonjs/mol-io/common/typed-array.js.map +1 -1
  221. package/lib/commonjs/mol-io/reader/ccp4/parser.js +1 -1
  222. package/lib/commonjs/mol-io/reader/ccp4/parser.js.map +1 -1
  223. package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -1
  224. package/lib/commonjs/mol-io/reader/cif/binary/parser.js.map +1 -1
  225. package/lib/commonjs/mol-io/reader/cif/data-model.js +7 -7
  226. package/lib/commonjs/mol-io/reader/cif/data-model.js.map +1 -1
  227. package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +2 -2
  228. package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +2 -2
  229. package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
  230. package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +14 -14
  231. package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
  232. package/lib/commonjs/mol-io/reader/cif/schema.js.map +1 -1
  233. package/lib/commonjs/mol-io/reader/cif/text/parser.js +2 -2
  234. package/lib/commonjs/mol-io/reader/cif/text/parser.js.map +1 -1
  235. package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
  236. package/lib/commonjs/mol-io/reader/dcd/parser.js.map +1 -1
  237. package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
  238. package/lib/commonjs/mol-io/reader/ply/schema.js +1 -1
  239. package/lib/commonjs/mol-io/reader/ply/schema.js.map +1 -1
  240. package/lib/commonjs/mol-io/reader/result.js +1 -1
  241. package/lib/commonjs/mol-io/reader/result.js.map +1 -1
  242. package/lib/commonjs/mol-io/writer/cif/encoder/text.js +3 -3
  243. package/lib/commonjs/mol-io/writer/cif/encoder/text.js.map +1 -1
  244. package/lib/commonjs/mol-io/writer/cif/encoder.js +5 -5
  245. package/lib/commonjs/mol-io/writer/cif/encoder.js.map +1 -1
  246. package/lib/commonjs/mol-io/writer/mol/encoder.js +4 -4
  247. package/lib/commonjs/mol-io/writer/mol/encoder.js.map +1 -1
  248. package/lib/commonjs/mol-io/writer/mol2/encoder.js +6 -6
  249. package/lib/commonjs/mol-io/writer/mol2/encoder.js.map +1 -1
  250. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
  251. package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js.map +1 -1
  252. package/lib/commonjs/mol-math/geometry/spacegroup/construction.js +8 -8
  253. package/lib/commonjs/mol-math/geometry/spacegroup/construction.js.map +1 -1
  254. package/lib/commonjs/mol-math/geometry/spacegroup/tables.js +1 -1
  255. package/lib/commonjs/mol-math/geometry/spacegroup/tables.js.map +1 -1
  256. package/lib/commonjs/mol-math/geometry/symmetry-operator.js +4 -4
  257. package/lib/commonjs/mol-math/geometry/symmetry-operator.js.map +1 -1
  258. package/lib/commonjs/mol-math/graph/inter-unit-graph.js +2 -2
  259. package/lib/commonjs/mol-math/graph/inter-unit-graph.js.map +1 -1
  260. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +1 -1
  261. package/lib/commonjs/mol-math/linear-algebra/3d/quat.js.map +1 -1
  262. package/lib/commonjs/mol-math/linear-algebra/3d/vec2.js +1 -1
  263. package/lib/commonjs/mol-math/linear-algebra/3d/vec2.js.map +1 -1
  264. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +1 -1
  265. package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js.map +1 -1
  266. package/lib/commonjs/mol-math/linear-algebra/3d/vec4.js +1 -1
  267. package/lib/commonjs/mol-math/linear-algebra/3d/vec4.js.map +1 -1
  268. package/lib/commonjs/mol-model/loci.d.ts +20 -20
  269. package/lib/commonjs/mol-model/sequence/sequence.js +2 -2
  270. package/lib/commonjs/mol-model/sequence/sequence.js.map +1 -1
  271. package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
  272. package/lib/commonjs/mol-model/structure/export/categories/atom_site.js +2 -2
  273. package/lib/commonjs/mol-model/structure/export/categories/atom_site.js.map +1 -1
  274. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +1 -1
  275. package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js.map +1 -1
  276. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +1 -1
  277. package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js.map +1 -1
  278. package/lib/commonjs/mol-model/structure/export/mmcif.js +1 -1
  279. package/lib/commonjs/mol-model/structure/export/mmcif.js.map +1 -1
  280. package/lib/commonjs/mol-model/structure/model/properties/atomic/bonds.js +2 -2
  281. package/lib/commonjs/mol-model/structure/model/properties/atomic/bonds.js.map +1 -1
  282. package/lib/commonjs/mol-model/structure/model/properties/symmetry.js +3 -3
  283. package/lib/commonjs/mol-model/structure/model/properties/symmetry.js.map +1 -1
  284. package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js +2 -2
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@@ -125,7 +125,7 @@ function _parseDcd(data) {
125
125
  // xyz coordinates
126
126
  for (var j = 0; j < 3; ++j) {
127
127
  if (dv.getInt32(nextPos, ef) !== natom4) {
128
- throw new Error("dcd bad format, coord block start: " + i + ", " + j);
128
+ throw new Error("dcd bad format, coord block start: ".concat(i, ", ").concat(j));
129
129
  }
130
130
  nextPos += 4; // block start
131
131
  var c = new Float32Array(data.buffer, nextPos, natom);
@@ -137,7 +137,7 @@ function _parseDcd(data) {
137
137
  frame.z = c;
138
138
  nextPos += natom4;
139
139
  if (dv.getInt32(nextPos, ef) !== natom4) {
140
- throw new Error("dcd bad format, coord block end: " + i + ", " + j);
140
+ throw new Error("dcd bad format, coord block end: ".concat(i, ", ").concat(j));
141
141
  }
142
142
  nextPos += 4; // block end
143
143
  }
@@ -1 +1 @@
1
- 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1
+ 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@@ -24,7 +24,7 @@ export declare const PlyTypeByteLength: {
24
24
  };
25
25
  export declare type PlyType = keyof typeof PlyTypeByteLength;
26
26
  export declare const PlyTypes: Set<string>;
27
- export declare function PlyType(str: string): "int" | "float" | "float32" | "int32" | "uint16" | "uint32" | "uint8" | "int8" | "int16" | "ushort" | "short" | "double" | "char" | "uchar" | "uint" | "float64";
27
+ export declare function PlyType(str: string): "double" | "float" | "char" | "int" | "uint8" | "int8" | "uint16" | "int16" | "uint32" | "int32" | "float32" | "ushort" | "uchar" | "short" | "uint" | "float64";
28
28
  export interface PlyFile {
29
29
  readonly comments: ReadonlyArray<string>;
30
30
  readonly elementNames: ReadonlyArray<string>;
@@ -29,7 +29,7 @@ exports.PlyTypeByteLength = {
29
29
  exports.PlyTypes = new Set(Object.keys(exports.PlyTypeByteLength));
30
30
  function PlyType(str) {
31
31
  if (!exports.PlyTypes.has(str))
32
- throw new Error("unknown ply type '" + str + "'");
32
+ throw new Error("unknown ply type '".concat(str, "'"));
33
33
  return str;
34
34
  }
35
35
  exports.PlyType = PlyType;
@@ -1 +1 @@
1
- {"version":3,"file":"schema.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/ply/schema.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAIH,yCAAyC;AACzC,kDAAkD;AAErC,QAAA,iBAAiB,GAAG;IAC7B,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,KAAK,EAAE,CAAC;IACR,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IAEX,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,SAAS,EAAE,CAAC;IACZ,SAAS,EAAE,CAAC;CACf,CAAC;AAEW,QAAA,QAAQ,GAAG,IAAI,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,yBAAiB,CAAC,CAAC,CAAC;AAChE,SAAgB,OAAO,CAAC,GAAW;IAC/B,IAAI,CAAC,gBAAQ,CAAC,GAAG,CAAC,GAAG,CAAC;QAAE,MAAM,IAAI,KAAK,CAAC,uBAAqB,GAAG,MAAG,CAAC,CAAC;IACrE,OAAO,GAAc,CAAC;AAC1B,CAAC;AAHD,0BAGC;AAQD,SAAgB,OAAO,CAAC,QAAsB,EAAE,YAAsB,EAAE,QAAkB;IACtF,IAAM,UAAU,GAAG,IAAI,GAAG,EAAsB,CAAC;IACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,YAAY,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QACnD,UAAU,CAAC,GAAG,CAAC,YAAY,CAAC,CAAC,CAAC,EAAE,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC;KAChD;IACD,OAAO;QACH,QAAQ,UAAA;QACR,YAAY,cAAA;QACZ,UAAU,EAAE,UAAC,IAAY;YACrB,OAAO,UAAU,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;QAChC,CAAC;KACJ,CAAC;AACN,CAAC;AAZD,0BAYC"}
1
+ {"version":3,"file":"schema.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/ply/schema.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAIH,yCAAyC;AACzC,kDAAkD;AAErC,QAAA,iBAAiB,GAAG;IAC7B,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,KAAK,EAAE,CAAC;IACR,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IAEX,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,SAAS,EAAE,CAAC;IACZ,SAAS,EAAE,CAAC;CACf,CAAC;AAEW,QAAA,QAAQ,GAAG,IAAI,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,yBAAiB,CAAC,CAAC,CAAC;AAChE,SAAgB,OAAO,CAAC,GAAW;IAC/B,IAAI,CAAC,gBAAQ,CAAC,GAAG,CAAC,GAAG,CAAC;QAAE,MAAM,IAAI,KAAK,CAAC,4BAAqB,GAAG,MAAG,CAAC,CAAC;IACrE,OAAO,GAAc,CAAC;AAC1B,CAAC;AAHD,0BAGC;AAQD,SAAgB,OAAO,CAAC,QAAsB,EAAE,YAAsB,EAAE,QAAkB;IACtF,IAAM,UAAU,GAAG,IAAI,GAAG,EAAsB,CAAC;IACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,YAAY,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QACnD,UAAU,CAAC,GAAG,CAAC,YAAY,CAAC,CAAC,CAAC,EAAE,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC;KAChD;IACD,OAAO;QACH,QAAQ,UAAA;QACR,YAAY,cAAA;QACZ,UAAU,EAAE,UAAC,IAAY;YACrB,OAAO,UAAU,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;QAChC,CAAC;KACJ,CAAC;AACN,CAAC;AAZD,0BAYC"}
@@ -27,7 +27,7 @@ var ReaderResult;
27
27
  }
28
28
  Error.prototype.toString = function () {
29
29
  if (this.line >= 0) {
30
- return "[Line " + this.line + "] " + this.message;
30
+ return "[Line ".concat(this.line, "] ").concat(this.message);
31
31
  }
32
32
  return this.message;
33
33
  };
@@ -1 +1 @@
1
- {"version":3,"file":"result.js","sourceRoot":"","sources":["../../../../src/mol-io/reader/result.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAIH,IAAU,YAAY,CA8BrB;AA9BD,WAAU,YAAY;IAClB,SAAgB,KAAK,CAAI,OAAe,EAAE,IAAS;QAAT,qBAAA,EAAA,QAAQ,CAAC;QAC/C,OAAO,IAAI,KAAK,CAAC,OAAO,EAAE,IAAI,CAAC,CAAC;IACpC,CAAC;IAFe,kBAAK,QAEpB,CAAA;IAED,SAAgB,OAAO,CAAI,MAAS,EAAE,QAAuB;QAAvB,yBAAA,EAAA,aAAuB;QACzD,OAAO,IAAI,OAAO,CAAI,MAAM,EAAE,QAAQ,CAAC,CAAC;IAC5C,CAAC;IAFe,oBAAO,UAEtB,CAAA;IAED;QAUI,eACW,OAAe,EACf,IAAY;YADZ,YAAO,GAAP,OAAO,CAAQ;YACf,SAAI,GAAJ,IAAI,CAAQ;YAXvB,YAAO,GAAS,IAAI,CAAC;QAYrB,CAAC;QAVD,wBAAQ,GAAR;YACI,IAAI,IAAI,CAAC,IAAI,IAAI,CAAC,EAAE;gBAChB,OAAO,WAAS,IAAI,CAAC,IAAI,UAAK,IAAI,CAAC,OAAS,CAAC;aAChD;YACD,OAAO,IAAI,CAAC,OAAO,CAAC;QACxB,CAAC;QAML,YAAC;IAAD,CAAC,AAdD,IAcC;IAdY,kBAAK,QAcjB,CAAA;IAED;QAGI,iBAAmB,MAAS,EAAS,QAAkB;YAApC,WAAM,GAAN,MAAM,CAAG;YAAS,aAAQ,GAAR,QAAQ,CAAU;YAFvD,YAAO,GAAU,KAAK,CAAC;QAEoC,CAAC;QAChE,cAAC;IAAD,CAAC,AAJD,IAIC;IAJY,oBAAO,UAInB,CAAA;AACL,CAAC,EA9BS,YAAY,KAAZ,YAAY,QA8BrB;AAEQ,oCAAY"}
1
+ {"version":3,"file":"result.js","sourceRoot":"","sources":["../../../../src/mol-io/reader/result.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAIH,IAAU,YAAY,CA8BrB;AA9BD,WAAU,YAAY;IAClB,SAAgB,KAAK,CAAI,OAAe,EAAE,IAAS;QAAT,qBAAA,EAAA,QAAQ,CAAC;QAC/C,OAAO,IAAI,KAAK,CAAC,OAAO,EAAE,IAAI,CAAC,CAAC;IACpC,CAAC;IAFe,kBAAK,QAEpB,CAAA;IAED,SAAgB,OAAO,CAAI,MAAS,EAAE,QAAuB;QAAvB,yBAAA,EAAA,aAAuB;QACzD,OAAO,IAAI,OAAO,CAAI,MAAM,EAAE,QAAQ,CAAC,CAAC;IAC5C,CAAC;IAFe,oBAAO,UAEtB,CAAA;IAED;QAUI,eACW,OAAe,EACf,IAAY;YADZ,YAAO,GAAP,OAAO,CAAQ;YACf,SAAI,GAAJ,IAAI,CAAQ;YAXvB,YAAO,GAAS,IAAI,CAAC;QAYrB,CAAC;QAVD,wBAAQ,GAAR;YACI,IAAI,IAAI,CAAC,IAAI,IAAI,CAAC,EAAE;gBAChB,OAAO,gBAAS,IAAI,CAAC,IAAI,eAAK,IAAI,CAAC,OAAO,CAAE,CAAC;aAChD;YACD,OAAO,IAAI,CAAC,OAAO,CAAC;QACxB,CAAC;QAML,YAAC;IAAD,CAAC,AAdD,IAcC;IAdY,kBAAK,QAcjB,CAAA;IAED;QAGI,iBAAmB,MAAS,EAAS,QAAkB;YAApC,WAAM,GAAN,MAAM,CAAG;YAAS,aAAQ,GAAR,QAAQ,CAAU;YAFvD,YAAO,GAAU,KAAK,CAAC;QAEoC,CAAC;QAChE,cAAC;IAAD,CAAC,AAJD,IAIC;IAJY,oBAAO,UAInB,CAAA;AACL,CAAC,EA9BS,YAAY,KAAZ,YAAY,QA8BrB;AAEQ,oCAAY"}
@@ -32,7 +32,7 @@ var TextEncoder = /** @class */ (function () {
32
32
  };
33
33
  TextEncoder.prototype.startDataBlock = function (header) {
34
34
  this.dataBlockCreated = true;
35
- string_builder_1.StringBuilder.write(this.builder, "data_" + (header || '').replace(/[ \n\t]/g, '').toUpperCase() + "\n#\n");
35
+ string_builder_1.StringBuilder.write(this.builder, "data_".concat((header || '').replace(/[ \n\t]/g, '').toUpperCase(), "\n#\n"));
36
36
  };
37
37
  TextEncoder.prototype.writeCategory = function (category, context, options) {
38
38
  if (this.encoded) {
@@ -129,7 +129,7 @@ function writeCifSingleRecord(category, instance, source, builder, filter, forma
129
129
  var f = fields[_f];
130
130
  if (!filter.includeField(category.name, f.name))
131
131
  continue;
132
- string_builder_1.StringBuilder.writePadRight(builder, "_" + category.name + "." + f.name, width);
132
+ string_builder_1.StringBuilder.writePadRight(builder, "_".concat(category.name, ".").concat(f.name), width);
133
133
  var multiline = writeValue(builder, data, key, f, precisions[_f], 0);
134
134
  if (!multiline)
135
135
  string_builder_1.StringBuilder.newline(builder);
@@ -145,7 +145,7 @@ function writeCifLoop(category, instance, source, builder, filter, formatter) {
145
145
  var precisions = getFloatPrecisions(category.name, fields, formatter);
146
146
  writeLine(builder, 'loop_');
147
147
  for (var i = 0; i < fieldCount; i++) {
148
- writeLine(builder, "_" + category.name + "." + fields[i].name);
148
+ writeLine(builder, "_".concat(category.name, ".").concat(fields[i].name));
149
149
  }
150
150
  var index = 0;
151
151
  for (var _c = 0; _c < source.length; _c++) {
@@ -1 +1 @@
1
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@@ -60,7 +60,7 @@ var Field;
60
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  };
61
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  Builder.prototype.vec = function (name, values, params) {
62
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  for (var i = 0; i < values.length; i++) {
63
- this.fields.push(Field.int(name + "[" + (i + 1) + "]", values[i], params));
63
+ this.fields.push(Field.int("".concat(name, "[").concat(i + 1, "]"), values[i], params));
64
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  }
65
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  return this;
66
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  };
@@ -212,7 +212,7 @@ function getTensorDefinitions(field, space) {
212
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  if (space.rank === 1) {
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  var rows = space.dimensions[0];
214
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  for (var i = 0; i < rows; i++) {
215
- var name_2 = field + "[" + (i + 1) + "]";
215
+ var name_2 = "".concat(field, "[").concat(i + 1, "]");
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  fieldDefinitions.push({ name: name_2, type: type, value: columnTensorValue(field, i), valueKind: valueKind });
217
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  }
218
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  }
@@ -220,7 +220,7 @@ function getTensorDefinitions(field, space) {
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  var rows = space.dimensions[0], cols = space.dimensions[1];
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  for (var i = 0; i < rows; i++) {
222
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  for (var j = 0; j < cols; j++) {
223
- var name_3 = field + "[" + (i + 1) + "][" + (j + 1) + "]";
223
+ var name_3 = "".concat(field, "[").concat(i + 1, "][").concat(j + 1, "]");
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  fieldDefinitions.push({ name: name_3, type: type, value: columnTensorValue(field, i, j), valueKind: valueKind });
225
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  }
226
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  }
@@ -230,7 +230,7 @@ function getTensorDefinitions(field, space) {
230
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  for (var i = 0; i < d0; i++) {
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  for (var j = 0; j < d1; j++) {
232
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  for (var k = 0; k < d2; k++) {
233
- var name_4 = field + "[" + (i + 1) + "][" + (j + 1) + "][" + (k + 1) + "]";
233
+ var name_4 = "".concat(field, "[").concat(i + 1, "][").concat(j + 1, "][").concat(k + 1, "]");
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  fieldDefinitions.push({ name: name_4, type: type, value: columnTensorValue(field, i, j, k), valueKind: valueKind });
235
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  }
236
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  }
@@ -262,7 +262,7 @@ function cifFieldsFromTableSchema(schema) {
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  fields.push.apply(fields, getTensorDefinitions(k, t.space));
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  }
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  else {
265
- throw new Error("Unknown valueType " + t.valueType);
265
+ throw new Error("Unknown valueType ".concat(t.valueType));
266
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  }
267
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  }
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  return fields;
@@ -1 +1 @@
1
- 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1
+ {"version":3,"file":"encoder.js","sourceRoot":"","sources":["../../../../../src/mol-io/writer/cif/encoder.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,uDAAsD;AAItD,sDAAsE;AAmBtE,IAAiB,KAAK,CA2FrB;AA3FD,WAAiB,KAAK;IAelB,SAAgB,GAAG,CAAa,IAAY,EAAE,KAA4C,EAAE,MAAyB;QACjH,OAAO,EAAE,IAAI,MAAA,EAAE,IAAI,aAAU,EAAE,KAAK,OAAA,EAAE,SAAS,EAAE,MAAM,IAAI,MAAM,CAAC,SAAS,EAAE,aAAa,EAAE,MAAM,IAAI,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,CAAC,CAAC,CAAC,KAAK,CAAC,EAAE,aAAa,EAAE,MAAM,IAAI,MAAM,CAAC,aAAa,EAAE,CAAC;IACjN,CAAC;IAFe,SAAG,MAElB,CAAA;IAED,SAAgB,GAAG,CAAa,IAAY,EAAE,KAA4C,EAAE,MAAyE;QACjK,OAAO;YACH,IAAI,MAAA;YACJ,IAAI,aAAU;YACd,KAAK,OAAA;YACL,SAAS,EAAE,MAAM,IAAI,MAAM,CAAC,SAAS;YACrC,aAAa,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,UAAU,EAAE,MAAM,CAAC,UAAU,EAAE,CAAC,CAAC,CAAC,KAAK,CAAC;YAC3F,aAAa,EAAE,MAAM,IAAI,MAAM,CAAC,aAAa;SAChD,CAAC;IACN,CAAC;IATe,SAAG,MASlB,CAAA;IAED,SAAgB,KAAK,CAAa,IAAY,EAAE,KAA4C,EAAE,MAA8F;QACxL,OAAO;YACH,IAAI,MAAA;YACJ,IAAI,eAAY;YAChB,KAAK,OAAA;YACL,SAAS,EAAE,MAAM,IAAI,MAAM,CAAC,SAAS;YACrC,aAAa,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,UAAU,EAAE,MAAM,CAAC,UAAU,EAAE,UAAU,EAAE,OAAO,MAAM,CAAC,UAAU,KAAK,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC,UAAU,CAAC,CAAC,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,KAAK,CAAC;YAC9K,aAAa,EAAE,MAAM,IAAI,MAAM,CAAC,aAAa;SAChD,CAAC;IACN,CAAC;IATe,WAAK,QASpB,CAAA;IAED,SAAgB,KAAK,CAAC,IAAY;QAC9B,OAAO,GAAG,CAAC,IAAI,EAAE,UAAC,CAAC,EAAE,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,GAAG,CAAC,EAAL,CAAK,EAAE,EAAE,UAAU,EAAE,UAAU,EAAE,OAAO,EAAE,0BAAa,CAAC,EAAE,CAAC,0BAAa,CAAC,KAAK,CAAC,CAAC,GAAG,CAAC,0BAAa,CAAC,SAAS,CAAC,CAAC,GAAG,CAAC,0BAAa,CAAC,cAAc,CAAC,EAAE,CAAC,CAAC;IACpL,CAAC;IAFe,WAAK,QAEpB,CAAA;IAED;QAAA;YACY,WAAM,GAAkB,EAAE,CAAC;QAwCvC,CAAC;QAtCG,uBAAK,GAAL,UAAM,IAAO;YACT,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,CAAC;YACpC,OAAO,IAAI,CAAC;QAChB,CAAC;QAED,qBAAG,GAAH,UAAI,IAAO,EAAE,KAA4C,EAAE,MAAyB;YAChF,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,EAAE,MAAM,CAAC,CAAC,CAAC;YACjD,OAAO,IAAI,CAAC;QAChB,CAAC;QAED,qBAAG,GAAH,UAAI,IAAO,EAAE,KAA4C,EAAE,MAAyE;YAChI,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,EAAE,MAAM,CAAC,CAAC,CAAC;YACjD,OAAO,IAAI,CAAC;QAChB,CAAC;QAED,qBAAG,GAAH,UAAI,IAAO,EAAE,MAAiD,EAAE,MAAyE;YACrI,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACpC,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,UAAG,IAAI,cAAI,CAAC,GAAG,CAAC,MAAG,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC;aACvE;YACD,OAAO,IAAI,CAAC;QAChB,CAAC;QAED,uBAAK,GAAL,UAAM,IAAO,EAAE,KAA4C,EAAE,MAA8F;YACvJ,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,KAAK,CAAC,IAAI,EAAE,KAAK,EAAE,MAAM,CAAC,CAAC,CAAC;YACnD,OAAO,IAAI,CAAC;QAChB,CAAC;QAED,sBAAI,GAAJ,UAAK,MAA8B;YAC/B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,EAAE;gBAAE,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;YACpE,OAAO,IAAI,CAAC;QAChB,CAAC;QAED,qBAAG,GAAH,UAAI,KAAkB;YAClB,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;YACxB,OAAO,IAAI,CAAC;QAChB,CAAC;QAED,2BAAS,GAAT,cAAc,OAAO,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC;QACvC,cAAC;IAAD,CAAC,AAzCD,IAyCC;IAzCY,aAAO,UAyCnB,CAAA;IAED,SAAgB,KAAK;QACjB,OAAO,IAAI,OAAO,EAAW,CAAC;IAClC,CAAC;IAFe,WAAK,QAEpB,CAAA;AACL,CAAC,EA3FgB,KAAK,GAAL,aAAK,KAAL,aAAK,QA2FrB;AAOD,IAAiB,QAAQ,CAkGxB;AAlGD,WAAiB,QAAQ;IACR,cAAK,GAAa,EAAE,MAAM,EAAE,EAAE,EAAE,MAAM,EAAE,EAAE,EAAE,CAAC;IAkB1D,SAAgB,QAAQ,CAAC,UAAkB;QACvC,IAAM,aAAa,GAAa,EAAE,CAAC;QACnC,IAAM,aAAa,GAAa,EAAE,CAAC;QACnC,IAAM,eAAe,GAAa,EAAE,CAAC;QACrC,IAAM,eAAe,GAAa,EAAE,CAAC;QAErC,KAAc,UAA2B,EAA3B,KAAA,UAAU,CAAC,KAAK,CAAC,SAAS,CAAC,EAA3B,cAA2B,EAA3B,IAA2B,EAAE;YAAtC,IAAI,CAAC,SAAA;YACN,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,CAAC;YACb,kCAAkC;YAClC,IAAI,CAAC,CAAC,MAAM,KAAK,CAAC;gBAAE,SAAS;YAC7B,mCAAmC;YACnC,IAAM,SAAS,GAAG,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;YAC/B,IAAI,SAAS;gBAAE,CAAC,GAAG,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;YAC/B,IAAM,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;YAC5B,IAAM,KAAK,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;YACvB,IAAM,IAAI,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,eAAe,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,eAAe,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC;YAE/G,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;YAEtB,wDAAwD;YACxD,IAAI,KAAK,IAAI,CAAC,aAAa,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE;gBAC5C,aAAa,CAAC,aAAa,CAAC,MAAM,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;aAClD;SACJ;QAED,IAAM,QAAQ,GAAG,eAAe,CAAC,GAAG,CAAC,UAAA,EAAE,IAAI,OAAA,EAAE,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,EAAhB,CAAgB,CAAC,CAAC;QAC7D,gCAAgC;QAChC,OAAO;YACH,eAAe,YAAC,GAAG;gBACf,6BAA6B;gBAC7B,IAAI,aAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE;oBAC7B,OAAO,KAAK,CAAC;iBAChB;qBAAM;oBACH,qEAAqE;oBACrE,OAAO,aAAa,CAAC,MAAM,IAAI,CAAC;wBACxB,mDAAmD;wBACnD,aAAa,CAAC,OAAO,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,CAAC;iBAC7C;YACL,CAAC;YACD,YAAY,YAAC,GAAG,EAAE,KAAK;gBACnB,6EAA6E;gBAC7E,IAAM,IAAI,GAAG,GAAG,GAAG,GAAG,GAAG,KAAK,CAAC;gBAC/B,IAAI,eAAe,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE;oBAChC,OAAO,KAAK,CAAC;iBAChB;qBAAM;oBACH,kDAAkD;oBAClD,OAAO,CAAC,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;wBACtB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@@ -33,7 +33,7 @@ var MolEncoder = /** @class */ (function (_super) {
33
33
  // write header
34
34
  var name = this.getName(instance, source);
35
35
  // 3rd lines must be present and can contain comments
36
- mol_util_1.StringBuilder.writeSafe(this.builder, name + "\n " + this.encoder + "\n\n");
36
+ mol_util_1.StringBuilder.writeSafe(this.builder, "".concat(name, "\n ").concat(this.encoder, "\n\n"));
37
37
  var atomMap = this.componentAtomData.entries.get(name);
38
38
  var bondMap = this.componentBondData.entries.get(name);
39
39
  var bondCount = 0;
@@ -74,7 +74,7 @@ var MolEncoder = /** @class */ (function (_super) {
74
74
  // write counts line
75
75
  mol_util_1.StringBuilder.writeIntegerPadLeft(this.builder, atoms.size, 3);
76
76
  mol_util_1.StringBuilder.writeIntegerPadLeft(this.builder, bondCount, 3);
77
- mol_util_1.StringBuilder.writeSafe(this.builder, " 0 0 " + (chiral ? 1 : 0) + " 0 0 0 0 0 0\n");
77
+ mol_util_1.StringBuilder.writeSafe(this.builder, " 0 0 ".concat(chiral ? 1 : 0, " 0 0 0 0 0 0\n"));
78
78
  mol_util_1.StringBuilder.writeSafe(this.builder, mol_util_1.StringBuilder.getString(ctab));
79
79
  mol_util_1.StringBuilder.writeSafe(this.builder, mol_util_1.StringBuilder.getString(bonds));
80
80
  mol_util_1.StringBuilder.writeSafe(this.builder, 'M END\n');
@@ -102,7 +102,7 @@ var MolEncoder = /** @class */ (function (_super) {
102
102
  var key = it.move();
103
103
  for (var _f = 0; _f < fields.length; _f++) {
104
104
  var f = fields[_f];
105
- mol_util_1.StringBuilder.writeSafe(sb, "> <" + category.name + "." + f.name + ">\n");
105
+ mol_util_1.StringBuilder.writeSafe(sb, "> <".concat(category.name, ".").concat(f.name, ">\n"));
106
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  var val = f.value(key, data, 0);
107
107
  mol_util_1.StringBuilder.writeSafe(sb, val);
108
108
  mol_util_1.StringBuilder.writeSafe(sb, '\n\n');
@@ -115,7 +115,7 @@ var MolEncoder = /** @class */ (function (_super) {
115
115
  }
116
116
  // terminate file (needed for SDF only)
117
117
  if (!!this.terminator) {
118
- mol_util_1.StringBuilder.writeSafe(this.builder, this.terminator + "\n");
118
+ mol_util_1.StringBuilder.writeSafe(this.builder, "".concat(this.terminator, "\n"));
119
119
  }
120
120
  this.encoded = true;
121
121
  };
@@ -1 +1 @@
1
- {"version":3,"file":"encoder.js","sourceRoot":"","sources":["../../../../../src/mol-io/writer/mol/encoder.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,8CAAkD;AAElD,4CAA8D;AAC9D,oDAAkD;AAElD,uDAAuD;AACvD,4FAA4F;AAC5F;IAAgC,2CAAa;IA4GzC,oBAAY,OAAe,EAAE,eAAwB,EAAE,SAAkB,EAAW,UAAuB;QAAvB,2BAAA,EAAA,eAAuB;QAA3G,YACI,kBAAM,OAAO,EAAE,eAAe,EAAE,SAAS,CAAC,SAK7C;QANmF,gBAAU,GAAV,UAAU,CAAa;QAGvG,IAAI,eAAe,IAAI,CAAC,UAAU,EAAE;YAChC,MAAM,IAAI,KAAK,CAAC,kDAAkD,CAAC,CAAC;SACvE;;IACL,CAAC;IAjHD,mCAAc,GAAd,UAAoB,QAAuB,EAAE,OAAa;QAA1D,iBA2DC;QA1DG,4EAA4E;QAC5E,IAAM,IAAI,GAAG,wBAAa,CAAC,MAAM,EAAE,CAAC;QACpC,IAAM,KAAK,GAAG,wBAAa,CAAC,MAAM,EAAE,CAAC;QACrC,yDAAyD;QACnD,IAAA,KAAuB,IAAA,8BAAuB,EAAC,QAAQ,EAAE,OAAO,CAAC,EAA/D,QAAQ,cAAA,EAAE,MAAM,YAA+C,CAAC;QAExE,eAAe;QACf,IAAM,IAAI,GAAG,IAAI,CAAC,OAAO,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;QAC5C,qDAAqD;QACrD,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAK,IAAI,YAAO,IAAI,CAAC,OAAO,SAAM,CAAC,CAAC;QAExE,IAAM,OAAO,GAAG,IAAI,CAAC,iBAAiB,CAAC,OAAO,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAC1D,IAAM,OAAO,GAAG,IAAI,CAAC,iBAAiB,CAAC,OAAO,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAC1D,IAAI,SAAS,GAAG,CAAC,CAAC;QAClB,IAAI,MAAM,GAAG,KAAK,CAAC;QAEnB,wDAAwD;QACxD,IAAM,KAAK,GAAG,IAAI,CAAC,QAAQ,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;QAC9C,KAAK,CAAC,OAAO,CAAC,UAAC,KAAK,EAAE,cAAc;YACxB,IAAO,EAAE,GAAK,KAAK,MAAV,CAAW;YACtB,IAAA,KAA4B,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,cAAc,CAAE,EAA1D,MAAM,YAAA,EAAE,aAAa,mBAAqC,CAAC;YACnE,wBAAa,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC/D,wBAAa,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC/D,wBAAa,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC/D,wBAAa,CAAC,WAAW,CAAC,IAAI,CAAC,CAAC;YAChC,wBAAa,CAAC,aAAa,CAAC,IAAI,EAAE,KAAK,CAAC,WAAW,EAAE,CAAC,CAAC,CAAC;YACxD,wBAAa,CAAC,SAAS,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;YACrC,wBAAa,CAAC,mBAAmB,CAAC,IAAI,EAAE,KAAI,CAAC,SAAS,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC;YACnE,wBAAa,CAAC,SAAS,CAAC,IAAI,EAAE,kCAAkC,CAAC,CAAC;YAClE,IAAI,aAAa,KAAK,GAAG;gBAAE,MAAM,GAAG,IAAI,CAAC;YAEzC,yBAAyB;YACzB,IAAI,CAAC,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,GAAG,CAAA;gBAAE,OAAO;YAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,cAAc,CAAE,CAAC,OAAO,CAAC,UAAC,IAAI,EAAE,cAAc;gBAC1D,IAAM,KAAK,GAAG,KAAK,CAAC,GAAG,CAAC,cAAc,CAAC,CAAC;gBACxC,IAAI,CAAC,KAAK;oBAAE,OAAO;gBAEX,IAAO,EAAE,GAAgC,KAAK,MAArC,EAAe,YAAY,GAAK,KAAK,YAAV,CAAW;gBACvD,IAAI,EAAE,GAAG,EAAE,IAAI,CAAC,KAAI,CAAC,YAAY,CAAC,YAAY,CAAC,EAAE;oBACrC,IAAA,KAAK,GAAK,IAAI,MAAT,CAAU;oBACvB,wBAAa,CAAC,mBAAmB,CAAC,KAAK,EAAE,EAAE,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;oBACpD,wBAAa,CAAC,mBAAmB,CAAC,KAAK,EAAE,EAAE,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;oBACpD,wBAAa,CAAC,mBAAmB,CAAC,KAAK,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC;oBACnD,wBAAa,CAAC,SAAS,CAAC,KAAK,EAAE,gBAAgB,CAAC,CAAC;oBACjD,SAAS,EAAE,CAAC;iBACf;YACL,CAAC,CAAC,CAAC;QACP,CAAC,CAAC,CAAC;QAEH,oBAAoB;QACpB,wBAAa,CAAC,mBAAmB,CAAC,IAAI,CAAC,OAAO,EAAE,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC;QAC/D,wBAAa,CAAC,mBAAmB,CAAC,IAAI,CAAC,OAAO,EAAE,SAAS,EAAE,CAAC,CAAC,CAAC;QAC9D,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,cAAW,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,0BAAsB,CAAC,CAAC;QAEvF,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC,CAAC;QACrE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,wBAAa,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC;QAEtE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,UAAU,CAAC,CAAC;IACtD,CAAC;IAEO,8BAAS,GAAjB,UAAkB,GAAW;QACzB,+GAA+G;QAC/G,QAAQ,GAAG,EAAE;YACT,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YACjB,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YACjB,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YACjB,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YAClB,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YAClB,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YAClB,OAAO,CAAC,CAAC,OAAO,CAAC,CAAC;SACrB;IACL,CAAC;IAES,sCAAiB,GAA3B,UAAiC,EAAiB,EAAE,QAAuB,EAAE,OAAa;QAChF,IAAA,KAAuB,IAAA,8BAAuB,EAAC,QAAQ,EAAE,OAAO,CAAC,EAA/D,QAAQ,cAAA,EAAE,MAAM,YAA+C,CAAC;QACxE,IAAM,MAAM,GAAG,QAAQ,CAAC,MAAM,CAAC;QAC/B,IAAM,GAAG,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;QACtB,IAAI,CAAC,GAAG;YAAE,OAAO;QACjB,IAAM,IAAI,GAAG,GAAG,CAAC,IAAI,CAAC;QAEtB,IAAM,EAAE,GAAG,GAAG,CAAC,IAAI,EAAE,CAAC;QACtB,IAAM,GAAG,GAAG,EAAE,CAAC,IAAI,EAAE,CAAC;QACtB,KAAK,IAAI,EAAE,GAAG,CAAC,EAAE,EAAE,GAAG,MAAM,CAAC,MAAM,EAAE,EAAE,EAAE,EAAE;YACvC,IAAM,CAAC,GAAG,MAAM,CAAC,EAAE,CAAE,CAAC;YAEtB,wBAAa,CAAC,SAAS,CAAC,EAAE,EAAE,QAAM,QAAQ,CAAC,IAAI,SAAI,CAAC,CAAC,IAAI,QAAK,CAAC,CAAC;YAChE,IAAM,GAAG,GAAG,CAAC,CAAC,KAAK,CAAC,GAAG,EAAE,IAAI,EAAE,CAAC,CAAC,CAAC;YAClC,wBAAa,CAAC,SAAS,CAAC,EAAE,EAAE,GAAa,CAAC,CAAC;YAC3C,wBAAa,CAAC,SAAS,CAAC,EAAE,EAAE,MAAM,CAAC,CAAC;SACvC;IACL,CAAC;IAED,2BAAM,GAAN;QACI,2CAA2C;QAC3C,IAAI,IAAI,CAAC,KAAK,IAAI,IAAI,CAAC,eAAe,EAAE;YACpC,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC;SAC7E;QAED,uCAAuC;QACvC,IAAI,CAAC,CAAC,IAAI,CAAC,UAAU,EAAE;YACnB,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAK,IAAI,CAAC,UAAU,OAAI,CAAC,CAAC;SACjE;QAED,IAAI,CAAC,OAAO,GAAG,IAAI,CAAC;IACxB,CAAC;IASL,iBAAC;AAAD,CAAC,AAnHD,CAAgC,8BAAa,GAmH5C;AAnHY,gCAAU"}
1
+ {"version":3,"file":"encoder.js","sourceRoot":"","sources":["../../../../../src/mol-io/writer/mol/encoder.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,8CAAkD;AAElD,4CAA8D;AAC9D,oDAAkD;AAElD,uDAAuD;AACvD,4FAA4F;AAC5F;IAAgC,2CAAa;IA4GzC,oBAAY,OAAe,EAAE,eAAwB,EAAE,SAAkB,EAAW,UAAuB;QAAvB,2BAAA,EAAA,eAAuB;QAA3G,YACI,kBAAM,OAAO,EAAE,eAAe,EAAE,SAAS,CAAC,SAK7C;QANmF,gBAAU,GAAV,UAAU,CAAa;QAGvG,IAAI,eAAe,IAAI,CAAC,UAAU,EAAE;YAChC,MAAM,IAAI,KAAK,CAAC,kDAAkD,CAAC,CAAC;SACvE;;IACL,CAAC;IAjHD,mCAAc,GAAd,UAAoB,QAAuB,EAAE,OAAa;QAA1D,iBA2DC;QA1DG,4EAA4E;QAC5E,IAAM,IAAI,GAAG,wBAAa,CAAC,MAAM,EAAE,CAAC;QACpC,IAAM,KAAK,GAAG,wBAAa,CAAC,MAAM,EAAE,CAAC;QACrC,yDAAyD;QACnD,IAAA,KAAuB,IAAA,8BAAuB,EAAC,QAAQ,EAAE,OAAO,CAAC,EAA/D,QAAQ,cAAA,EAAE,MAAM,YAA+C,CAAC;QAExE,eAAe;QACf,IAAM,IAAI,GAAG,IAAI,CAAC,OAAO,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;QAC5C,qDAAqD;QACrD,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,UAAG,IAAI,iBAAO,IAAI,CAAC,OAAO,SAAM,CAAC,CAAC;QAExE,IAAM,OAAO,GAAG,IAAI,CAAC,iBAAiB,CAAC,OAAO,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAC1D,IAAM,OAAO,GAAG,IAAI,CAAC,iBAAiB,CAAC,OAAO,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAC1D,IAAI,SAAS,GAAG,CAAC,CAAC;QAClB,IAAI,MAAM,GAAG,KAAK,CAAC;QAEnB,wDAAwD;QACxD,IAAM,KAAK,GAAG,IAAI,CAAC,QAAQ,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;QAC9C,KAAK,CAAC,OAAO,CAAC,UAAC,KAAK,EAAE,cAAc;YACxB,IAAO,EAAE,GAAK,KAAK,MAAV,CAAW;YACtB,IAAA,KAA4B,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,cAAc,CAAE,EAA1D,MAAM,YAAA,EAAE,aAAa,mBAAqC,CAAC;YACnE,wBAAa,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC/D,wBAAa,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC/D,wBAAa,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC/D,wBAAa,CAAC,WAAW,CAAC,IAAI,CAAC,CAAC;YAChC,wBAAa,CAAC,aAAa,CAAC,IAAI,EAAE,KAAK,CAAC,WAAW,EAAE,CAAC,CAAC,CAAC;YACxD,wBAAa,CAAC,SAAS,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;YACrC,wBAAa,CAAC,mBAAmB,CAAC,IAAI,EAAE,KAAI,CAAC,SAAS,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC;YACnE,wBAAa,CAAC,SAAS,CAAC,IAAI,EAAE,kCAAkC,CAAC,CAAC;YAClE,IAAI,aAAa,KAAK,GAAG;gBAAE,MAAM,GAAG,IAAI,CAAC;YAEzC,yBAAyB;YACzB,IAAI,CAAC,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,GAAG,CAAA;gBAAE,OAAO;YAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,cAAc,CAAE,CAAC,OAAO,CAAC,UAAC,IAAI,EAAE,cAAc;gBAC1D,IAAM,KAAK,GAAG,KAAK,CAAC,GAAG,CAAC,cAAc,CAAC,CAAC;gBACxC,IAAI,CAAC,KAAK;oBAAE,OAAO;gBAEX,IAAO,EAAE,GAAgC,KAAK,MAArC,EAAe,YAAY,GAAK,KAAK,YAAV,CAAW;gBACvD,IAAI,EAAE,GAAG,EAAE,IAAI,CAAC,KAAI,CAAC,YAAY,CAAC,YAAY,CAAC,EAAE;oBACrC,IAAA,KAAK,GAAK,IAAI,MAAT,CAAU;oBACvB,wBAAa,CAAC,mBAAmB,CAAC,KAAK,EAAE,EAAE,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;oBACpD,wBAAa,CAAC,mBAAmB,CAAC,KAAK,EAAE,EAAE,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;oBACpD,wBAAa,CAAC,mBAAmB,CAAC,KAAK,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC;oBACnD,wBAAa,CAAC,SAAS,CAAC,KAAK,EAAE,gBAAgB,CAAC,CAAC;oBACjD,SAAS,EAAE,CAAC;iBACf;YACL,CAAC,CAAC,CAAC;QACP,CAAC,CAAC,CAAC;QAEH,oBAAoB;QACpB,wBAAa,CAAC,mBAAmB,CAAC,IAAI,CAAC,OAAO,EAAE,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC;QAC/D,wBAAa,CAAC,mBAAmB,CAAC,IAAI,CAAC,OAAO,EAAE,SAAS,EAAE,CAAC,CAAC,CAAC;QAC9D,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,kBAAW,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,yBAAsB,CAAC,CAAC;QAEvF,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC,CAAC;QACrE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,wBAAa,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC;QAEtE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,UAAU,CAAC,CAAC;IACtD,CAAC;IAEO,8BAAS,GAAjB,UAAkB,GAAW;QACzB,+GAA+G;QAC/G,QAAQ,GAAG,EAAE;YACT,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YACjB,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YACjB,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YACjB,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YAClB,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YAClB,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;YAClB,OAAO,CAAC,CAAC,OAAO,CAAC,CAAC;SACrB;IACL,CAAC;IAES,sCAAiB,GAA3B,UAAiC,EAAiB,EAAE,QAAuB,EAAE,OAAa;QAChF,IAAA,KAAuB,IAAA,8BAAuB,EAAC,QAAQ,EAAE,OAAO,CAAC,EAA/D,QAAQ,cAAA,EAAE,MAAM,YAA+C,CAAC;QACxE,IAAM,MAAM,GAAG,QAAQ,CAAC,MAAM,CAAC;QAC/B,IAAM,GAAG,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;QACtB,IAAI,CAAC,GAAG;YAAE,OAAO;QACjB,IAAM,IAAI,GAAG,GAAG,CAAC,IAAI,CAAC;QAEtB,IAAM,EAAE,GAAG,GAAG,CAAC,IAAI,EAAE,CAAC;QACtB,IAAM,GAAG,GAAG,EAAE,CAAC,IAAI,EAAE,CAAC;QACtB,KAAK,IAAI,EAAE,GAAG,CAAC,EAAE,EAAE,GAAG,MAAM,CAAC,MAAM,EAAE,EAAE,EAAE,EAAE;YACvC,IAAM,CAAC,GAAG,MAAM,CAAC,EAAE,CAAE,CAAC;YAEtB,wBAAa,CAAC,SAAS,CAAC,EAAE,EAAE,aAAM,QAAQ,CAAC,IAAI,cAAI,CAAC,CAAC,IAAI,QAAK,CAAC,CAAC;YAChE,IAAM,GAAG,GAAG,CAAC,CAAC,KAAK,CAAC,GAAG,EAAE,IAAI,EAAE,CAAC,CAAC,CAAC;YAClC,wBAAa,CAAC,SAAS,CAAC,EAAE,EAAE,GAAa,CAAC,CAAC;YAC3C,wBAAa,CAAC,SAAS,CAAC,EAAE,EAAE,MAAM,CAAC,CAAC;SACvC;IACL,CAAC;IAED,2BAAM,GAAN;QACI,2CAA2C;QAC3C,IAAI,IAAI,CAAC,KAAK,IAAI,IAAI,CAAC,eAAe,EAAE;YACpC,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC;SAC7E;QAED,uCAAuC;QACvC,IAAI,CAAC,CAAC,IAAI,CAAC,UAAU,EAAE;YACnB,wBAAa,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,EAAE,UAAG,IAAI,CAAC,UAAU,OAAI,CAAC,CAAC;SACjE;QAED,IAAI,CAAC,OAAO,GAAG,IAAI,CAAC;IACxB,CAAC;IASL,iBAAC;AAAD,CAAC,AAnHD,CAAgC,8BAAa,GAmH5C;AAnHY,gCAAU"}
@@ -29,7 +29,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
29
29
  var _a = (0, util_1.getCategoryInstanceData)(category, context), instance = _a.instance, source = _a.source;
30
30
  // write header
31
31
  var name = this.getName(instance, source);
32
- mol_util_1.StringBuilder.writeSafe(this.builder, "# Name: " + name + "\n# Created by " + this.encoder + "\n\n");
32
+ mol_util_1.StringBuilder.writeSafe(this.builder, "# Name: ".concat(name, "\n# Created by ").concat(this.encoder, "\n\n"));
33
33
  var bondMap = this.componentBondData.entries.get(name);
34
34
  var bondCount = 0;
35
35
  var atoms = this.getAtoms(instance, source);
@@ -46,19 +46,19 @@ var Mol2Encoder = /** @class */ (function (_super) {
46
46
  if (i1 < i2 && !_this.skipHydrogen(type_symbol2)) {
47
47
  var order = bond.order, flags = bond.flags;
48
48
  var ar = types_1.BondType.is(16 /* Aromatic */, flags);
49
- mol_util_1.StringBuilder.writeSafe(b, ++bondCount + " " + (i1 + 1) + " " + (i2 + 1) + " " + (ar ? 'ar' : order));
49
+ mol_util_1.StringBuilder.writeSafe(b, "".concat(++bondCount, " ").concat(i1 + 1, " ").concat(i2 + 1, " ").concat(ar ? 'ar' : order));
50
50
  mol_util_1.StringBuilder.newline(b);
51
51
  }
52
52
  });
53
53
  }
54
54
  var sybyl = (bondMap === null || bondMap === void 0 ? void 0 : bondMap.map) ? _this.mapToSybyl(label_atom_id1, atom1.type_symbol, bondMap) : atom1.type_symbol;
55
- mol_util_1.StringBuilder.writeSafe(a, i1 + 1 + " " + label_atom_id1 + " " + atom1.Cartn_x.toFixed(3) + " " + atom1.Cartn_y.toFixed(3) + " " + atom1.Cartn_z.toFixed(3) + " " + sybyl + " 1 " + name + " 0.000\n");
55
+ mol_util_1.StringBuilder.writeSafe(a, "".concat(i1 + 1, " ").concat(label_atom_id1, " ").concat(atom1.Cartn_x.toFixed(3), " ").concat(atom1.Cartn_y.toFixed(3), " ").concat(atom1.Cartn_z.toFixed(3), " ").concat(sybyl, " 1 ").concat(name, " 0.000\n"));
56
56
  });
57
57
  // could write something like 'SMALL\nNO_CHARGES', for now let's write **** indicating non-optional, yet missing, string values
58
- mol_util_1.StringBuilder.writeSafe(this.out, "@<TRIPOS>MOLECULE\n" + name + "\n" + atoms.size + " " + bondCount + " 1\n****\n****\n\n");
58
+ mol_util_1.StringBuilder.writeSafe(this.out, "@<TRIPOS>MOLECULE\n".concat(name, "\n").concat(atoms.size, " ").concat(bondCount, " 1\n****\n****\n\n"));
59
59
  mol_util_1.StringBuilder.writeSafe(this.out, mol_util_1.StringBuilder.getString(a));
60
60
  mol_util_1.StringBuilder.writeSafe(this.out, mol_util_1.StringBuilder.getString(b));
61
- mol_util_1.StringBuilder.writeSafe(this.out, "@<TRIPOS>SUBSTRUCTURE\n1 " + name + " 1\n");
61
+ mol_util_1.StringBuilder.writeSafe(this.out, "@<TRIPOS>SUBSTRUCTURE\n1 ".concat(name, " 1\n"));
62
62
  };
63
63
  Mol2Encoder.prototype.count = function (map, ctx, predicate) {
64
64
  var count = 0;
@@ -307,7 +307,7 @@ var Mol2Encoder = /** @class */ (function (_super) {
307
307
  var key = it.move();
308
308
  for (var _f = 0; _f < fields.length; _f++) {
309
309
  var f = fields[_f];
310
- mol_util_1.StringBuilder.writeSafe(sb, "# " + category.name + "." + f.name + ": ");
310
+ mol_util_1.StringBuilder.writeSafe(sb, "# ".concat(category.name, ".").concat(f.name, ": "));
311
311
  var val = f.value(key, data, 0);
312
312
  mol_util_1.StringBuilder.writeSafe(sb, val);
313
313
  mol_util_1.StringBuilder.newline(sb);
@@ -1 +1 @@
1
- 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1
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@@ -48,7 +48,7 @@ function getFramebuffer(webgl) {
48
48
  return webgl.namedFramebuffers[GaussianDensityName];
49
49
  }
50
50
  function getTexture(name, webgl, kind, format, type, filter) {
51
- var _name = GaussianDensityName + "-" + name;
51
+ var _name = "".concat(GaussianDensityName, "-").concat(name);
52
52
  if (!webgl.namedTextures[_name]) {
53
53
  webgl.namedTextures[_name] = webgl.resources.texture(kind, format, type, filter);
54
54
  }