matterviz 0.3.4 → 0.3.6

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 (852) hide show
  1. package/.vscode/launch.json +13 -0
  2. package/.vscodeignore +7 -0
  3. package/dist/assets/STLExporter-BpTH3YHE.js +8 -0
  4. package/dist/assets/browser-DdDecX_W.js +1 -0
  5. package/dist/assets/export-qgn-H9y6.js +2 -0
  6. package/dist/assets/main-DiKYzti2.css +1 -0
  7. package/dist/assets/moyo_wasm_bg-0ocwg7xY.wasm +0 -0
  8. package/dist/extension.js +31293 -0
  9. package/dist/src/lib/FilePicker.svelte +360 -0
  10. package/dist/src/lib/MillerIndexInput.svelte +66 -0
  11. package/dist/src/lib/api/mp.ts +26 -0
  12. package/dist/src/lib/api/optimade.ts +204 -0
  13. package/dist/src/lib/app.css +247 -0
  14. package/dist/src/lib/brillouin/BrillouinZone.svelte +549 -0
  15. package/dist/src/lib/brillouin/BrillouinZoneControls.svelte +144 -0
  16. package/dist/src/lib/brillouin/BrillouinZoneExportPane.svelte +146 -0
  17. package/dist/src/lib/brillouin/BrillouinZoneInfoPane.svelte +146 -0
  18. package/dist/src/lib/brillouin/BrillouinZoneScene.svelte +476 -0
  19. package/dist/src/lib/brillouin/BrillouinZoneTooltip.svelte +92 -0
  20. package/dist/src/lib/brillouin/compute.ts +529 -0
  21. package/dist/src/lib/brillouin/index.ts +8 -0
  22. package/dist/src/lib/brillouin/types.ts +51 -0
  23. package/dist/src/lib/chempot-diagram/ChemPotDiagram.svelte +327 -0
  24. package/dist/src/lib/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
  25. package/dist/src/lib/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
  26. package/dist/src/lib/chempot-diagram/async-compute.svelte.ts +94 -0
  27. package/dist/src/lib/chempot-diagram/chempot-worker.ts +11 -0
  28. package/dist/src/lib/chempot-diagram/color.ts +42 -0
  29. package/dist/src/lib/chempot-diagram/compute.ts +1014 -0
  30. package/dist/src/lib/chempot-diagram/index.ts +6 -0
  31. package/dist/src/lib/chempot-diagram/pointer.ts +56 -0
  32. package/dist/src/lib/chempot-diagram/temperature.ts +77 -0
  33. package/dist/src/lib/chempot-diagram/types.ts +130 -0
  34. package/dist/src/lib/colors/index.ts +249 -0
  35. package/dist/src/lib/composition/BarChart.svelte +297 -0
  36. package/dist/src/lib/composition/BubbleChart.svelte +218 -0
  37. package/dist/src/lib/composition/Composition.svelte +165 -0
  38. package/dist/src/lib/composition/Formula.svelte +268 -0
  39. package/dist/src/lib/composition/FormulaFilter.svelte +1257 -0
  40. package/dist/src/lib/composition/PieChart.svelte +323 -0
  41. package/dist/src/lib/composition/format.ts +155 -0
  42. package/dist/src/lib/composition/index.ts +37 -0
  43. package/dist/src/lib/composition/parse.ts +605 -0
  44. package/dist/src/lib/constants.ts +134 -0
  45. package/dist/src/lib/controls.ts +42 -0
  46. package/dist/src/lib/convex-hull/ConvexHull.svelte +157 -0
  47. package/dist/src/lib/convex-hull/ConvexHull2D.svelte +825 -0
  48. package/dist/src/lib/convex-hull/ConvexHull3D.svelte +1801 -0
  49. package/dist/src/lib/convex-hull/ConvexHull4D.svelte +1398 -0
  50. package/dist/src/lib/convex-hull/ConvexHullControls.svelte +535 -0
  51. package/dist/src/lib/convex-hull/ConvexHullInfoPane.svelte +125 -0
  52. package/dist/src/lib/convex-hull/ConvexHullStats.svelte +929 -0
  53. package/dist/src/lib/convex-hull/ConvexHullTooltip.svelte +131 -0
  54. package/dist/src/lib/convex-hull/GasPressureControls.svelte +247 -0
  55. package/dist/src/lib/convex-hull/StructurePopup.svelte +151 -0
  56. package/dist/src/lib/convex-hull/TemperatureSlider.svelte +140 -0
  57. package/dist/src/lib/convex-hull/barycentric-coords.ts +246 -0
  58. package/dist/src/lib/convex-hull/demo-temperature.ts +63 -0
  59. package/dist/src/lib/convex-hull/gas-thermodynamics.ts +405 -0
  60. package/dist/src/lib/convex-hull/helpers.ts +932 -0
  61. package/dist/src/lib/convex-hull/index.ts +202 -0
  62. package/dist/src/lib/convex-hull/thermodynamics.ts +2192 -0
  63. package/dist/src/lib/convex-hull/types.ts +267 -0
  64. package/dist/src/lib/coordination/CoordinationBarPlot.svelte +311 -0
  65. package/dist/src/lib/coordination/calc-coordination.ts +93 -0
  66. package/dist/src/lib/coordination/index.ts +9 -0
  67. package/dist/src/lib/effects.svelte.ts +48 -0
  68. package/dist/src/lib/element/BohrAtom.svelte +147 -0
  69. package/dist/src/lib/element/ElementHeading.svelte +26 -0
  70. package/dist/src/lib/element/ElementPhoto.svelte +57 -0
  71. package/dist/src/lib/element/ElementStats.svelte +80 -0
  72. package/dist/src/lib/element/ElementTile.svelte +484 -0
  73. package/dist/src/lib/element/data.json.gz.d.ts +4 -0
  74. package/dist/src/lib/element/data.ts +14 -0
  75. package/dist/src/lib/element/index.ts +8 -0
  76. package/dist/src/lib/element/types.ts +62 -0
  77. package/dist/src/lib/feedback/ClickFeedback.svelte +58 -0
  78. package/dist/src/lib/feedback/DragOverlay.svelte +42 -0
  79. package/dist/src/lib/feedback/index.ts +4 -0
  80. package/dist/src/lib/fermi-surface/FermiSlice.svelte +189 -0
  81. package/dist/src/lib/fermi-surface/FermiSurface.svelte +600 -0
  82. package/dist/src/lib/fermi-surface/FermiSurfaceControls.svelte +448 -0
  83. package/dist/src/lib/fermi-surface/FermiSurfaceScene.svelte +794 -0
  84. package/dist/src/lib/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
  85. package/dist/src/lib/fermi-surface/compute.ts +728 -0
  86. package/dist/src/lib/fermi-surface/constants.ts +32 -0
  87. package/dist/src/lib/fermi-surface/export.ts +64 -0
  88. package/dist/src/lib/fermi-surface/index.ts +14 -0
  89. package/dist/src/lib/fermi-surface/marching-cubes.ts +3 -0
  90. package/dist/src/lib/fermi-surface/parse.ts +574 -0
  91. package/dist/src/lib/fermi-surface/symmetry.ts +56 -0
  92. package/dist/src/lib/fermi-surface/types.ts +159 -0
  93. package/dist/src/lib/heatmap-matrix/HeatmapMatrix.svelte +1545 -0
  94. package/dist/src/lib/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  95. package/dist/src/lib/heatmap-matrix/index.ts +167 -0
  96. package/dist/src/lib/heatmap-matrix/shared.ts +7 -0
  97. package/dist/src/lib/icons.ts +650 -0
  98. package/dist/src/lib/index.ts +61 -0
  99. package/dist/src/lib/io/decompress.ts +92 -0
  100. package/dist/src/lib/io/export.ts +385 -0
  101. package/dist/src/lib/io/fetch.ts +46 -0
  102. package/dist/src/lib/io/file-drop.ts +51 -0
  103. package/dist/src/lib/io/index.ts +7 -0
  104. package/dist/src/lib/io/is-binary.ts +24 -0
  105. package/dist/src/lib/io/types.ts +8 -0
  106. package/dist/src/lib/io/url-drop.ts +141 -0
  107. package/dist/src/lib/isosurface/Isosurface.svelte +285 -0
  108. package/dist/src/lib/isosurface/IsosurfaceControls.svelte +277 -0
  109. package/dist/src/lib/isosurface/index.ts +7 -0
  110. package/dist/src/lib/isosurface/parse.ts +656 -0
  111. package/dist/src/lib/isosurface/slice.ts +175 -0
  112. package/dist/src/lib/isosurface/types.ts +309 -0
  113. package/dist/src/lib/labels.ts +320 -0
  114. package/dist/src/lib/layout/FullscreenToggle.svelte +50 -0
  115. package/dist/src/lib/layout/InfoCard.svelte +120 -0
  116. package/dist/src/lib/layout/InfoTag.svelte +185 -0
  117. package/dist/src/lib/layout/PropertyFilter.svelte +246 -0
  118. package/dist/src/lib/layout/SettingsSection.svelte +148 -0
  119. package/dist/src/lib/layout/SubpageGrid.svelte +82 -0
  120. package/dist/src/lib/layout/fullscreen.ts +65 -0
  121. package/dist/src/lib/layout/index.ts +11 -0
  122. package/dist/src/lib/layout/json-tree/JsonNode.svelte +548 -0
  123. package/dist/src/lib/layout/json-tree/JsonTree.svelte +1230 -0
  124. package/dist/src/lib/layout/json-tree/JsonValue.svelte +334 -0
  125. package/dist/src/lib/layout/json-tree/index.ts +3 -0
  126. package/dist/src/lib/layout/json-tree/types.ts +126 -0
  127. package/dist/src/lib/layout/json-tree/utils.ts +682 -0
  128. package/dist/src/lib/marching-cubes.ts +614 -0
  129. package/dist/src/lib/math.ts +1081 -0
  130. package/dist/src/lib/overlays/ContextMenu.svelte +162 -0
  131. package/dist/src/lib/overlays/CopyButton.svelte +45 -0
  132. package/dist/src/lib/overlays/DragControlTab.svelte +98 -0
  133. package/dist/src/lib/overlays/DraggablePane.svelte +487 -0
  134. package/dist/src/lib/overlays/InfoPaneCards.svelte +149 -0
  135. package/dist/src/lib/overlays/index.ts +3 -0
  136. package/dist/src/lib/periodic-table/PeriodicTable.svelte +469 -0
  137. package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +557 -0
  138. package/dist/src/lib/periodic-table/PropertySelect.svelte +37 -0
  139. package/dist/src/lib/periodic-table/index.ts +12 -0
  140. package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
  141. package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +444 -0
  142. package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
  143. package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
  144. package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
  145. package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +203 -0
  146. package/dist/src/lib/phase-diagram/build-diagram.ts +186 -0
  147. package/dist/src/lib/phase-diagram/colors.ts +58 -0
  148. package/dist/src/lib/phase-diagram/diagram-input.ts +40 -0
  149. package/dist/src/lib/phase-diagram/index.ts +13 -0
  150. package/dist/src/lib/phase-diagram/parse.ts +348 -0
  151. package/dist/src/lib/phase-diagram/svg-to-diagram.ts +1023 -0
  152. package/dist/src/lib/phase-diagram/types.ts +144 -0
  153. package/dist/src/lib/phase-diagram/utils.ts +775 -0
  154. package/dist/src/lib/plot/AxisLabel.svelte +51 -0
  155. package/dist/src/lib/plot/BarPlot.svelte +2113 -0
  156. package/dist/src/lib/plot/BarPlotControls.svelte +66 -0
  157. package/dist/src/lib/plot/BinnedScatterPlot.svelte +1114 -0
  158. package/dist/src/lib/plot/ColorBar.svelte +721 -0
  159. package/dist/src/lib/plot/ColorScaleSelect.svelte +54 -0
  160. package/dist/src/lib/plot/ElementScatter.svelte +63 -0
  161. package/dist/src/lib/plot/FillArea.svelte +223 -0
  162. package/dist/src/lib/plot/Histogram.svelte +1558 -0
  163. package/dist/src/lib/plot/HistogramControls.svelte +212 -0
  164. package/dist/src/lib/plot/InteractiveAxisLabel.svelte +96 -0
  165. package/dist/src/lib/plot/Line.svelte +84 -0
  166. package/dist/src/lib/plot/PlotAxis.svelte +169 -0
  167. package/dist/src/lib/plot/PlotControls.svelte +537 -0
  168. package/dist/src/lib/plot/PlotLegend.svelte +569 -0
  169. package/dist/src/lib/plot/PlotTooltip.svelte +67 -0
  170. package/dist/src/lib/plot/PortalSelect.svelte +253 -0
  171. package/dist/src/lib/plot/ReferenceLine3D.svelte +156 -0
  172. package/dist/src/lib/plot/ReferencePlane.svelte +175 -0
  173. package/dist/src/lib/plot/ScatterPlot.svelte +2778 -0
  174. package/dist/src/lib/plot/ScatterPlot3D.svelte +529 -0
  175. package/dist/src/lib/plot/ScatterPlot3DControls.svelte +437 -0
  176. package/dist/src/lib/plot/ScatterPlot3DScene.svelte +912 -0
  177. package/dist/src/lib/plot/ScatterPlotControls.svelte +306 -0
  178. package/dist/src/lib/plot/ScatterPoint.svelte +182 -0
  179. package/dist/src/lib/plot/SpacegroupBarPlot.svelte +293 -0
  180. package/dist/src/lib/plot/Surface3D.svelte +197 -0
  181. package/dist/src/lib/plot/ZeroLines.svelte +97 -0
  182. package/dist/src/lib/plot/ZoomRect.svelte +23 -0
  183. package/dist/src/lib/plot/adaptive-density.ts +316 -0
  184. package/dist/src/lib/plot/auto-place.ts +184 -0
  185. package/dist/src/lib/plot/axis-utils.ts +122 -0
  186. package/dist/src/lib/plot/binned-scatter-types.ts +83 -0
  187. package/dist/src/lib/plot/data-cleaning.ts +1069 -0
  188. package/dist/src/lib/plot/data-transform.ts +69 -0
  189. package/dist/src/lib/plot/defaults.ts +9 -0
  190. package/dist/src/lib/plot/fill-utils.ts +494 -0
  191. package/dist/src/lib/plot/hover-lock.svelte.ts +60 -0
  192. package/dist/src/lib/plot/index.ts +53 -0
  193. package/dist/src/lib/plot/interactions.ts +119 -0
  194. package/dist/src/lib/plot/layout.ts +425 -0
  195. package/dist/src/lib/plot/reference-line.ts +426 -0
  196. package/dist/src/lib/plot/scales.ts +654 -0
  197. package/dist/src/lib/plot/svg.ts +23 -0
  198. package/dist/src/lib/plot/types.ts +1144 -0
  199. package/dist/src/lib/plot/utils/label-placement.ts +541 -0
  200. package/dist/src/lib/plot/utils/series-visibility.ts +140 -0
  201. package/dist/src/lib/plot/utils.ts +11 -0
  202. package/dist/src/lib/rdf/RdfPlot.svelte +247 -0
  203. package/dist/src/lib/rdf/calc-rdf.ts +167 -0
  204. package/dist/src/lib/rdf/index.ts +27 -0
  205. package/dist/src/lib/sanitize.ts +126 -0
  206. package/dist/src/lib/settings.ts +1479 -0
  207. package/dist/src/lib/spectral/Bands.svelte +1040 -0
  208. package/dist/src/lib/spectral/BandsAndDos.svelte +134 -0
  209. package/dist/src/lib/spectral/BrillouinBandsDos.svelte +252 -0
  210. package/dist/src/lib/spectral/Dos.svelte +697 -0
  211. package/dist/src/lib/spectral/helpers.ts +1381 -0
  212. package/dist/src/lib/spectral/index.ts +8 -0
  213. package/dist/src/lib/spectral/types.ts +112 -0
  214. package/dist/src/lib/state.svelte.ts +64 -0
  215. package/dist/src/lib/structure/Arrow.svelte +72 -0
  216. package/dist/src/lib/structure/AtomLegend.svelte +815 -0
  217. package/dist/src/lib/structure/Bond.svelte +140 -0
  218. package/dist/src/lib/structure/CanvasTooltip.svelte +33 -0
  219. package/dist/src/lib/structure/CellSelect.svelte +349 -0
  220. package/dist/src/lib/structure/Cylinder.svelte +45 -0
  221. package/dist/src/lib/structure/Lattice.svelte +196 -0
  222. package/dist/src/lib/structure/Structure.svelte +2248 -0
  223. package/dist/src/lib/structure/StructureControls.svelte +1273 -0
  224. package/dist/src/lib/structure/StructureExportPane.svelte +252 -0
  225. package/dist/src/lib/structure/StructureInfoPane.svelte +737 -0
  226. package/dist/src/lib/structure/StructureScene.svelte +2255 -0
  227. package/dist/src/lib/structure/atom-properties.ts +316 -0
  228. package/dist/src/lib/structure/bond-order-perception.ts +447 -0
  229. package/dist/src/lib/structure/bonding.ts +944 -0
  230. package/dist/src/lib/structure/export.ts +861 -0
  231. package/dist/src/lib/structure/index.ts +291 -0
  232. package/dist/src/lib/structure/label-placement.ts +130 -0
  233. package/dist/src/lib/structure/measure.ts +45 -0
  234. package/dist/src/lib/structure/parse.ts +1705 -0
  235. package/dist/src/lib/structure/partial-occupancy.ts +183 -0
  236. package/dist/src/lib/structure/pbc.ts +164 -0
  237. package/dist/src/lib/structure/supercell.ts +226 -0
  238. package/dist/src/lib/structure/validation.ts +11 -0
  239. package/dist/src/lib/symmetry/SymmetryStats.svelte +226 -0
  240. package/dist/src/lib/symmetry/WyckoffTable.svelte +120 -0
  241. package/dist/src/lib/symmetry/cell-transform.ts +118 -0
  242. package/dist/src/lib/symmetry/index.ts +348 -0
  243. package/dist/src/lib/symmetry/spacegroups.ts +404 -0
  244. package/dist/src/lib/table/HeatmapTable.svelte +1833 -0
  245. package/dist/src/lib/table/ToggleMenu.svelte +385 -0
  246. package/dist/src/lib/table/index.ts +139 -0
  247. package/dist/src/lib/theme/ThemeControl.svelte +53 -0
  248. package/dist/src/lib/theme/index.ts +107 -0
  249. package/dist/src/lib/theme/themes.mjs +297 -0
  250. package/dist/src/lib/time.ts +71 -0
  251. package/dist/src/lib/tooltip/TooltipContent.svelte +58 -0
  252. package/dist/src/lib/tooltip/index.ts +2 -0
  253. package/dist/src/lib/tooltip/types.ts +13 -0
  254. package/dist/src/lib/trajectory/Trajectory.svelte +1545 -0
  255. package/dist/src/lib/trajectory/TrajectoryError.svelte +128 -0
  256. package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +357 -0
  257. package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +313 -0
  258. package/dist/src/lib/trajectory/constants.ts +7 -0
  259. package/dist/src/lib/trajectory/extract.ts +196 -0
  260. package/dist/src/lib/trajectory/format-detect.ts +96 -0
  261. package/dist/src/lib/trajectory/frame-reader.ts +456 -0
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  263. package/dist/src/lib/trajectory/index.ts +218 -0
  264. package/dist/src/lib/trajectory/parse/ase.ts +109 -0
  265. package/dist/src/lib/trajectory/parse/hdf5.ts +173 -0
  266. package/dist/src/lib/trajectory/parse/index.ts +411 -0
  267. package/dist/src/lib/trajectory/parse/lammps.ts +215 -0
  268. package/dist/src/lib/trajectory/parse/vasp.ts +102 -0
  269. package/dist/src/lib/trajectory/parse/xyz.ts +143 -0
  270. package/dist/src/lib/trajectory/plotting.ts +599 -0
  271. package/dist/src/lib/trajectory/types.ts +13 -0
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  273. package/dist/src/lib/xrd/XrdPlot.svelte +615 -0
  274. package/dist/src/lib/xrd/broadening.ts +130 -0
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  276. package/dist/src/lib/xrd/index.ts +38 -0
  277. package/dist/src/lib/xrd/parse.ts +858 -0
  278. package/dist/webview.js +29421 -0
  279. package/icon.png +0 -0
  280. package/license +1 -1
  281. package/matterviz-0.3.2.vsix +0 -0
  282. package/matterviz-0.3.4.vsix +0 -0
  283. package/matterviz-0.3.5.vsix +0 -0
  284. package/package.json +1461 -231
  285. package/readme.md +171 -98
  286. package/scripts/sync-config.ts +101 -0
  287. package/src/declarations.d.ts +2 -0
  288. package/src/extension.ts +972 -0
  289. package/src/node-io.ts +65 -0
  290. package/src/types.ts +17 -0
  291. package/src/webview/JsonBrowser.svelte +1079 -0
  292. package/src/webview/PlotPanel.svelte +346 -0
  293. package/src/webview/detect.ts +444 -0
  294. package/src/webview/main.ts +764 -0
  295. package/src/webview/plot-utils.ts +250 -0
  296. package/test-fixtures/all-viz-types.json.gz +0 -0
  297. package/test-fixtures/plot-demo-data.json.gz +0 -0
  298. package/tests/detect.test.ts +604 -0
  299. package/tests/extension.test.ts +2041 -0
  300. package/tests/node-io.test.ts +39 -0
  301. package/tests/plot-utils.test.ts +302 -0
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  304. package/tests/webview.test.ts +231 -0
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  313. package/dist/MillerIndexInput.svelte +0 -66
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  315. package/dist/api/mp.d.ts +0 -6
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  317. package/dist/api/optimade.d.ts +0 -45
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  320. package/dist/brillouin/BrillouinZone.svelte +0 -543
  321. package/dist/brillouin/BrillouinZone.svelte.d.ts +0 -83
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  660. package/dist/plot/fill-utils.js +0 -337
  661. package/dist/plot/hover-lock.svelte.d.ts +0 -14
  662. package/dist/plot/hover-lock.svelte.js +0 -46
  663. package/dist/plot/index.d.ts +0 -43
  664. package/dist/plot/index.js +0 -37
  665. package/dist/plot/interactions.d.ts +0 -12
  666. package/dist/plot/interactions.js +0 -100
  667. package/dist/plot/layout.d.ts +0 -60
  668. package/dist/plot/layout.js +0 -230
  669. package/dist/plot/reference-line.d.ts +0 -60
  670. package/dist/plot/reference-line.js +0 -316
  671. package/dist/plot/scales.d.ts +0 -48
  672. package/dist/plot/scales.js +0 -484
  673. package/dist/plot/svg.d.ts +0 -1
  674. package/dist/plot/svg.js +0 -11
  675. package/dist/plot/types.d.ts +0 -863
  676. package/dist/plot/types.js +0 -103
  677. package/dist/plot/utils/label-placement.d.ts +0 -47
  678. package/dist/plot/utils/label-placement.js +0 -256
  679. package/dist/plot/utils/series-visibility.d.ts +0 -9
  680. package/dist/plot/utils/series-visibility.js +0 -67
  681. package/dist/plot/utils.d.ts +0 -1
  682. package/dist/plot/utils.js +0 -14
  683. package/dist/rdf/RdfPlot.svelte +0 -247
  684. package/dist/rdf/RdfPlot.svelte.d.ts +0 -27
  685. package/dist/rdf/calc-rdf.d.ts +0 -4
  686. package/dist/rdf/calc-rdf.js +0 -111
  687. package/dist/rdf/index.d.ts +0 -23
  688. package/dist/rdf/index.js +0 -2
  689. package/dist/sanitize.d.ts +0 -4
  690. package/dist/sanitize.js +0 -107
  691. package/dist/settings.d.ts +0 -253
  692. package/dist/settings.js +0 -1123
  693. package/dist/spectral/Bands.svelte +0 -1040
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  695. package/dist/spectral/BandsAndDos.svelte +0 -128
  696. package/dist/spectral/BandsAndDos.svelte.d.ts +0 -18
  697. package/dist/spectral/BrillouinBandsDos.svelte +0 -248
  698. package/dist/spectral/BrillouinBandsDos.svelte.d.ts +0 -20
  699. package/dist/spectral/Dos.svelte +0 -697
  700. package/dist/spectral/Dos.svelte.d.ts +0 -29
  701. package/dist/spectral/helpers.d.ts +0 -117
  702. package/dist/spectral/helpers.js +0 -1023
  703. package/dist/spectral/index.d.ts +0 -6
  704. package/dist/spectral/index.js +0 -7
  705. package/dist/spectral/types.d.ts +0 -84
  706. package/dist/spectral/types.js +0 -2
  707. package/dist/state.svelte.d.ts +0 -25
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  709. package/dist/structure/Arrow.svelte +0 -72
  710. package/dist/structure/Arrow.svelte.d.ts +0 -15
  711. package/dist/structure/AtomLegend.svelte +0 -798
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  713. package/dist/structure/Bond.svelte +0 -140
  714. package/dist/structure/Bond.svelte.d.ts +0 -9
  715. package/dist/structure/CanvasTooltip.svelte +0 -33
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  717. package/dist/structure/CellSelect.svelte +0 -351
  718. package/dist/structure/CellSelect.svelte.d.ts +0 -13
  719. package/dist/structure/Cylinder.svelte +0 -45
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  721. package/dist/structure/Lattice.svelte +0 -196
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  723. package/dist/structure/Structure.svelte +0 -1857
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  725. package/dist/structure/StructureControls.svelte +0 -1184
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  727. package/dist/structure/StructureExportPane.svelte +0 -251
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  751. package/dist/structure/pbc.d.ts +0 -9
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  757. package/dist/symmetry/SymmetryStats.svelte +0 -226
  758. package/dist/symmetry/SymmetryStats.svelte.d.ts +0 -21
  759. package/dist/symmetry/WyckoffTable.svelte +0 -113
  760. package/dist/symmetry/WyckoffTable.svelte.d.ts +0 -11
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  767. package/dist/table/HeatmapTable.svelte +0 -1854
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  769. package/dist/table/ToggleMenu.svelte +0 -376
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  771. package/dist/table/index.d.ts +0 -74
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  773. package/dist/theme/ThemeControl.svelte +0 -53
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  775. package/dist/theme/index.d.ts +0 -29
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  777. package/dist/theme/themes.mjs +0 -285
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  788. package/dist/trajectory/TrajectoryError.svelte +0 -128
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  790. package/dist/trajectory/TrajectoryExportPane.svelte +0 -357
  791. package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +0 -17
  792. package/dist/trajectory/TrajectoryInfoPane.svelte +0 -387
  793. package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +0 -17
  794. package/dist/trajectory/constants.d.ts +0 -6
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  802. package/dist/trajectory/helpers.d.ts +0 -14
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  806. package/dist/trajectory/parse/ase.d.ts +0 -2
  807. package/dist/trajectory/parse/ase.js +0 -77
  808. package/dist/trajectory/parse/hdf5.d.ts +0 -2
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  814. package/dist/trajectory/parse/vasp.d.ts +0 -2
  815. package/dist/trajectory/parse/vasp.js +0 -68
  816. package/dist/trajectory/parse/xyz.d.ts +0 -2
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  818. package/dist/trajectory/plotting.d.ts +0 -28
  819. package/dist/trajectory/plotting.js +0 -423
  820. package/dist/trajectory/types.d.ts +0 -11
  821. package/dist/trajectory/types.js +0 -1
  822. package/dist/utils.d.ts +0 -5
  823. package/dist/utils.js +0 -36
  824. package/dist/xrd/XrdPlot.svelte +0 -615
  825. package/dist/xrd/XrdPlot.svelte.d.ts +0 -28
  826. package/dist/xrd/broadening.d.ts +0 -20
  827. package/dist/xrd/broadening.js +0 -97
  828. package/dist/xrd/calc-xrd.d.ts +0 -37
  829. package/dist/xrd/calc-xrd.js +0 -337
  830. package/dist/xrd/index.d.ts +0 -37
  831. package/dist/xrd/index.js +0 -4
  832. package/dist/xrd/parse.d.ts +0 -13
  833. package/dist/xrd/parse.js +0 -749
  834. /package/dist/{EmptyState.svelte → src/lib/EmptyState.svelte} +0 -0
  835. /package/dist/{Icon.svelte → src/lib/Icon.svelte} +0 -0
  836. /package/dist/{chempot-diagram → src/lib/chempot-diagram}/ChemPotScene3D.svelte +0 -0
  837. /package/dist/{colors → src/lib/colors}/alloy-colors.json +0 -0
  838. /package/dist/{colors → src/lib/colors}/dark-mode-colors.json +0 -0
  839. /package/dist/{colors → src/lib/colors}/jmol-colors.json +0 -0
  840. /package/dist/{colors → src/lib/colors}/muted-colors.json +0 -0
  841. /package/dist/{colors → src/lib/colors}/pastel-colors.json +0 -0
  842. /package/dist/{colors → src/lib/colors}/vesta-colors.json +0 -0
  843. /package/dist/{element → src/lib/element}/Nucleus.svelte +0 -0
  844. /package/dist/{element → src/lib/element}/data.json +0 -0
  845. /package/dist/{element → src/lib/element}/data.json.gz +0 -0
  846. /package/dist/{element → src/lib/element}/data.schema.json +0 -0
  847. /package/dist/{element-image-urls.json → src/lib/element-image-urls.json} +0 -0
  848. /package/dist/{feedback → src/lib/feedback}/Spinner.svelte +0 -0
  849. /package/dist/{feedback → src/lib/feedback}/StatusMessage.svelte +0 -0
  850. /package/dist/{periodic-table → src/lib/periodic-table}/TableInset.svelte +0 -0
  851. /package/dist/{plot → src/lib/plot}/ReferenceLine.svelte +0 -0
  852. /package/dist/{xrd → src/lib/xrd}/atomic_scattering_params.json +0 -0
@@ -0,0 +1,39 @@
1
+ import { describe, expect, test, vi } from 'vitest'
2
+ import { stream_file_to_buffer } from '../src/node-io'
3
+
4
+ const mock_vscode = vi.hoisted(() => ({
5
+ Uri: {
6
+ file: vi.fn((file_path: string) => ({ fsPath: file_path })),
7
+ },
8
+ workspace: {
9
+ fs: {
10
+ stat: vi.fn(),
11
+ readFile: vi.fn(),
12
+ },
13
+ },
14
+ }))
15
+
16
+ vi.mock(`vscode`, () => mock_vscode)
17
+
18
+ describe(`stream_file_to_buffer`, () => {
19
+ test(`returns the underlying buffer without copying for full-span file bytes`, async () => {
20
+ const file_bytes = new Uint8Array([1, 2, 3])
21
+ mock_vscode.workspace.fs.stat.mockResolvedValue({ size: file_bytes.byteLength })
22
+ mock_vscode.workspace.fs.readFile.mockResolvedValue(file_bytes)
23
+
24
+ const result = await stream_file_to_buffer(`/tmp/full-span.bin`)
25
+
26
+ expect(result).toBe(file_bytes.buffer)
27
+ })
28
+
29
+ test(`returns exact bytes when VS Code returns an ArrayBuffer view`, async () => {
30
+ const parent_buffer = new Uint8Array([0, 1, 2, 3, 4, 5])
31
+ const file_bytes = parent_buffer.subarray(2, 5)
32
+ mock_vscode.workspace.fs.stat.mockResolvedValue({ size: file_bytes.byteLength })
33
+ mock_vscode.workspace.fs.readFile.mockResolvedValue(file_bytes)
34
+
35
+ const result = await stream_file_to_buffer(`/tmp/view-backed.bin`)
36
+
37
+ expect(Array.from(new Uint8Array(result))).toEqual([2, 3, 4])
38
+ })
39
+ })
@@ -0,0 +1,302 @@
1
+ import { describe, expect, test } from 'vitest'
2
+ import {
3
+ build_bar_series,
4
+ build_histogram_series,
5
+ build_scatter3d_series,
6
+ build_scatter_series,
7
+ col_keys,
8
+ extract_columns,
9
+ suggest_mapping,
10
+ } from '../src/webview/plot-utils'
11
+
12
+ describe(`extract_columns`, () => {
13
+ test(`column-based: extracts numeric and string columns`, () => {
14
+ const data = { x: [1, 2, 3], y: [4, 5, 6], label: [`a`, `b`, `c`] }
15
+ const cols = extract_columns(data)
16
+ expect(cols.size).toBe(3)
17
+ expect(cols.get(`x`)?.type).toBe(`numeric`)
18
+ expect(cols.get(`y`)?.type).toBe(`numeric`)
19
+ expect(cols.get(`label`)?.type).toBe(`string`)
20
+ expect(cols.get(`x`)?.values).toEqual([1, 2, 3])
21
+ })
22
+
23
+ test(`column-based: skips columns with different lengths`, () => {
24
+ const data = { x: [1, 2, 3], y: [4, 5], label: [`a`, `b`, `c`] }
25
+ const cols = extract_columns(data)
26
+ expect(cols.has(`y`)).toBe(false)
27
+ expect(cols.size).toBe(2)
28
+ })
29
+
30
+ test(`row-based: extracts from array of objects`, () => {
31
+ const data = [
32
+ { energy: -5.4, volume: 20.5, name: `Si` },
33
+ { energy: -4.6, volume: 22.7, name: `Ge` },
34
+ { energy: -7.4, volume: 11.2, name: `C` },
35
+ ]
36
+ const cols = extract_columns(data)
37
+ expect(cols.size).toBe(3)
38
+ expect(cols.get(`energy`)?.type).toBe(`numeric`)
39
+ expect(cols.get(`volume`)?.type).toBe(`numeric`)
40
+ expect(cols.get(`name`)?.type).toBe(`string`)
41
+ expect(cols.get(`energy`)?.values).toEqual([-5.4, -4.6, -7.4])
42
+ })
43
+
44
+ test.each([null, `hello`, 42, [null, { x: 1 }]])(
45
+ `returns empty map for non-tabular data: %j`,
46
+ (data) => expect(extract_columns(data).size).toBe(0),
47
+ )
48
+
49
+ test(`single-column column-based data produces one column for histogram`, () => {
50
+ const cols = extract_columns({ energy: [1, 2, 3] })
51
+ expect(cols.size).toBe(1)
52
+ expect(cols.get(`energy`)?.type).toBe(`numeric`)
53
+ })
54
+
55
+ test(`handles null values in columns`, () => {
56
+ const data = { x: [1, null, 3], y: [4, 5, null] }
57
+ const cols = extract_columns(data)
58
+ expect(cols.get(`x`)?.n_valid).toBe(2)
59
+ expect(cols.get(`y`)?.n_valid).toBe(2)
60
+ })
61
+
62
+ test(`classifies mixed-type columns when below 80% threshold`, () => {
63
+ const data = [{ val: 1 }, { val: `two` }, { val: 3 }, { val: `four` }, { val: 5 }]
64
+ const cols = extract_columns(data)
65
+ expect(cols.get(`val`)?.type).toBe(`mixed`)
66
+ })
67
+
68
+ test(`classifies as numeric when >= 80% are numbers`, () => {
69
+ const data = { val: [1, 2, 3, 4, `outlier`], idx: [0, 1, 2, 3, 4] }
70
+ const cols = extract_columns(data)
71
+ expect(cols.get(`val`)?.type).toBe(`numeric`)
72
+ expect(cols.get(`val`)?.n_valid).toBe(5)
73
+ })
74
+
75
+ test(`classifies all-null column as mixed with n_valid=0`, () => {
76
+ const data = { x: [1, 2], y: [null, undefined] }
77
+ const cols = extract_columns(data)
78
+ expect(cols.get(`y`)?.type).toBe(`mixed`)
79
+ expect(cols.get(`y`)?.n_valid).toBe(0)
80
+ })
81
+ })
82
+
83
+ describe(`col_keys`, () => {
84
+ test(`filters columns by type`, () => {
85
+ const cols = extract_columns({ x: [1, 2], name: [`a`, `b`], y: [3, 4] })
86
+ expect(col_keys(cols, `numeric`)).toEqual([`x`, `y`])
87
+ expect(col_keys(cols, `string`)).toEqual([`name`])
88
+ expect(col_keys(cols, `mixed`)).toEqual([])
89
+ })
90
+ })
91
+
92
+ describe(`suggest_mapping`, () => {
93
+ test(`assigns x and y to first two numeric columns`, () => {
94
+ const cols = extract_columns({ a: [1, 2], b: [3, 4], c: [5, 6] })
95
+ const { plot_type, mapping } = suggest_mapping(cols)
96
+ expect(plot_type).toBe(`scatter`)
97
+ expect(mapping.x).toBe(`a`)
98
+ expect(mapping.y).toBe(`b`)
99
+ expect(mapping.color).toBe(`c`)
100
+ })
101
+
102
+ test(`prefers well-known names for x/y`, () => {
103
+ const cols = extract_columns({ energy: [1, 2], time: [3, 4], force: [5, 6] })
104
+ const { mapping } = suggest_mapping(cols)
105
+ expect(mapping.x).toBe(`time`)
106
+ expect(mapping.y).toBe(`energy`)
107
+ })
108
+
109
+ test.each([
110
+ [
111
+ `bar (string + 2 numeric)`,
112
+ `bar`,
113
+ `material`,
114
+ {
115
+ material: [`Si`, `Ge`, `C`],
116
+ energy: [-5.4, -4.6, -7.4],
117
+ volume: [20.5, 22.7, 11.2],
118
+ },
119
+ ],
120
+ [
121
+ `bar (string + 1 numeric)`,
122
+ `bar`,
123
+ `name`,
124
+ {
125
+ name: [`Si`, `Ge`, `C`],
126
+ energy: [-5.4, -4.6, -7.4],
127
+ },
128
+ ],
129
+ [
130
+ `scatter3d (x/y/z columns)`,
131
+ `scatter3d`,
132
+ `x`,
133
+ {
134
+ x: [1, 2],
135
+ y: [3, 4],
136
+ z: [5, 6],
137
+ },
138
+ ],
139
+ ] as const)(`suggests %s`, (_, expected_type, expected_x, data) => {
140
+ const { plot_type, mapping } = suggest_mapping(extract_columns(data))
141
+ expect(plot_type).toBe(expected_type)
142
+ expect(mapping.x).toBe(expected_x)
143
+ })
144
+
145
+ test(`assigns color to first unassigned numeric column`, () => {
146
+ const cols = extract_columns({ x: [1, 2], y: [3, 4], temp: [5, 6], sz: [7, 8] })
147
+ const { mapping } = suggest_mapping(cols)
148
+ expect(mapping.color).toBe(`temp`)
149
+ })
150
+
151
+ test(`single numeric column falls back to histogram`, () => {
152
+ const cols = new Map([
153
+ [
154
+ `a`,
155
+ {
156
+ values: [1, 2, 3],
157
+ type: `numeric` as const,
158
+ n_valid: 3,
159
+ },
160
+ ],
161
+ ])
162
+ const { plot_type, mapping } = suggest_mapping(cols)
163
+ expect(plot_type).toBe(`histogram`)
164
+ expect(mapping.x).toBe(`a`)
165
+ })
166
+
167
+ test(`empty columns map falls back to table`, () => {
168
+ const { plot_type, mapping } = suggest_mapping(new Map())
169
+ expect(plot_type).toBe(`table`)
170
+ expect(mapping.x).toBeUndefined()
171
+ expect(mapping.y).toBeUndefined()
172
+ })
173
+ })
174
+
175
+ describe(`build_scatter_series`, () => {
176
+ test(`builds series from columns`, () => {
177
+ const cols = extract_columns({ x: [1, 2, 3], y: [4, 5, 6] })
178
+ const series = build_scatter_series(cols, { x: `x`, y: `y` })
179
+ expect(series.x).toEqual([1, 2, 3])
180
+ expect(series.y).toEqual([4, 5, 6])
181
+ })
182
+
183
+ test.each([
184
+ [`color`, { x: `x`, y: `y`, color: `extra` }, `color_values`],
185
+ [`size`, { x: `x`, y: `y`, size: `extra` }, `size_values`],
186
+ ] as const)(`includes %s_values when mapped`, (_, axis_mapping, prop) => {
187
+ const cols = extract_columns({ x: [1, 2], y: [3, 4], extra: [5, 6] })
188
+ const series = build_scatter_series(cols, axis_mapping)
189
+ expect(series[prop]).toEqual([5, 6])
190
+ })
191
+
192
+ test(`filters out points with non-finite x or y`, () => {
193
+ const cols = extract_columns({ x: [1, null, 3], y: [4, 5, 6], c: [10, 20, 30] })
194
+ const series = build_scatter_series(cols, { x: `x`, y: `y`, color: `c` })
195
+ expect(series.x).toEqual([1, 3])
196
+ expect(series.y).toEqual([4, 6])
197
+ expect(series.color_values).toEqual([10, 30])
198
+ })
199
+ })
200
+
201
+ describe(`build_scatter3d_series`, () => {
202
+ test(`builds 3d series`, () => {
203
+ const cols = extract_columns({ x: [1, 2], y: [3, 4], z: [5, 6] })
204
+ const series = build_scatter3d_series(cols, { x: `x`, y: `y`, z: `z` })
205
+ expect(series.x).toEqual([1, 2])
206
+ expect(series.y).toEqual([3, 4])
207
+ expect(series.z).toEqual([5, 6])
208
+ })
209
+
210
+ test(`includes color and size values when mapped`, () => {
211
+ const cols = extract_columns({
212
+ x: [1, 2],
213
+ y: [3, 4],
214
+ z: [5, 6],
215
+ c: [7, 8],
216
+ sz: [9, 10],
217
+ })
218
+ const series = build_scatter3d_series(cols, {
219
+ x: `x`,
220
+ y: `y`,
221
+ z: `z`,
222
+ color: `c`,
223
+ size: `sz`,
224
+ })
225
+ expect(series.color_values).toEqual([7, 8])
226
+ expect(series.size_values).toEqual([9, 10])
227
+ })
228
+
229
+ test(`filters non-finite x/y/z with aligned color and size`, () => {
230
+ const cols = extract_columns({
231
+ x: [1, null, 3, 4],
232
+ y: [5, 6, 7, 8],
233
+ z: [9, 10, null, 12],
234
+ c: [100, 200, 300, 400],
235
+ sz: [10, 20, 30, 40],
236
+ })
237
+ const series = build_scatter3d_series(cols, {
238
+ x: `x`,
239
+ y: `y`,
240
+ z: `z`,
241
+ color: `c`,
242
+ size: `sz`,
243
+ })
244
+ expect(series.x).toEqual([1, 4])
245
+ expect(series.y).toEqual([5, 8])
246
+ expect(series.z).toEqual([9, 12])
247
+ expect(series.color_values).toEqual([100, 400])
248
+ expect(series.size_values).toEqual([10, 40])
249
+ })
250
+ })
251
+
252
+ describe(`build_bar_series`, () => {
253
+ test(`builds bar series with string x`, () => {
254
+ const cols = extract_columns({
255
+ material: [`Si`, `Ge`],
256
+ energy: [-5.4, -4.6],
257
+ })
258
+ const series = build_bar_series(cols, { x: `material`, y: `energy` })
259
+ expect(series.x).toEqual([`Si`, `Ge`])
260
+ expect(series.y).toEqual([-5.4, -4.6])
261
+ })
262
+ })
263
+
264
+ describe(`build functions return empty on missing columns`, () => {
265
+ const cols = extract_columns({ x: [1, 2], y: [3, 4] })
266
+
267
+ test.each([
268
+ [`scatter`, () => build_scatter_series(cols, { x: `x`, y: `missing` })],
269
+ [`scatter3d`, () => build_scatter3d_series(cols, { x: `x`, y: `y`, z: `missing` })],
270
+ [`bar`, () => build_bar_series(cols, { x: `missing`, y: `y` })],
271
+ [`histogram`, () => build_histogram_series(cols, { y: `missing` })],
272
+ ])(`%s returns empty arrays`, (name, build) => {
273
+ const series = build()
274
+ expect(series.x).toEqual([])
275
+ expect(series.y).toEqual([])
276
+ if (name === `scatter3d`) expect((series as unknown as { z: number[] }).z).toEqual([])
277
+ })
278
+ })
279
+
280
+ describe(`build_histogram_series`, () => {
281
+ test(`builds histogram from y column`, () => {
282
+ const cols = extract_columns({ values: [1.5, 2.3, 3.1, 4.7], idx: [0, 1, 2, 3] })
283
+ const series = build_histogram_series(cols, { y: `values` })
284
+ expect(series.y).toEqual([1.5, 2.3, 3.1, 4.7])
285
+ expect(series.x).toEqual([0, 1, 2, 3])
286
+ })
287
+
288
+ test(`falls back to x mapping when y is absent`, () => {
289
+ const cols = extract_columns({ energy: [1.5, 2.3, 3.1], idx: [0, 1, 2] })
290
+ const series = build_histogram_series(cols, { x: `energy` })
291
+ expect(series.y).toEqual([1.5, 2.3, 3.1])
292
+ })
293
+
294
+ test(`filters non-numeric values`, () => {
295
+ const cols = extract_columns({
296
+ values: [1, null, 3, `bad`, 5, NaN],
297
+ idx: [0, 1, 2, 3, 4, 5],
298
+ })
299
+ const series = build_histogram_series(cols, { y: `values` })
300
+ expect(series.y).toEqual([1, 3, 5])
301
+ })
302
+ })
@@ -0,0 +1,114 @@
1
+ import { readFileSync, writeFileSync } from 'node:fs'
2
+ import { tmpdir } from 'node:os'
3
+ import { join } from 'node:path'
4
+ import { gunzipSync, gzipSync } from 'node:zlib'
5
+ import { describe, expect, test } from 'vitest'
6
+ import { vite_plugin_json_gz } from '../vite-plugin-json-gz'
7
+
8
+ const fixture_path = `${import.meta.dirname}/../test-fixtures/all-viz-types.json.gz`
9
+ const expected_data = JSON.parse(gunzipSync(readFileSync(fixture_path)).toString(`utf-8`))
10
+
11
+ function make_plugin(command: `build` | `serve` = `serve`) {
12
+ const plugin = vite_plugin_json_gz()
13
+ const config_resolved = plugin.configResolved as (cfg: { command: string }) => void
14
+ config_resolved.call({}, { command })
15
+ return plugin.load as (this: { error: (msg: string) => void }, id: string) => unknown
16
+ }
17
+
18
+ describe(`vite_plugin_json_gz`, () => {
19
+ test.each([`foo.json`, `bar.ts`, `data.gz`, `${fixture_path}?url`, `${fixture_path}?raw`])(
20
+ `returns null for non-matching id: %s`,
21
+ (id) => {
22
+ const load = make_plugin()
23
+ expect(load.call({ error: () => {} }, id)).toBeNull()
24
+ },
25
+ )
26
+
27
+ test(`dev/serve mode returns JS module matching decompressed content`, () => {
28
+ const load = make_plugin(`serve`)
29
+ const result = load.call({ error: () => {} }, fixture_path) as string
30
+ expect(result).toMatch(/^export default /)
31
+ expect(JSON.parse(result.replace(/^export default /, ``))).toEqual(expected_data)
32
+ })
33
+
34
+ test(`build mode returns raw JSON with moduleType:'json'`, () => {
35
+ const load = make_plugin(`build`)
36
+ const result = load.call({ error: () => {} }, fixture_path) as {
37
+ code: string
38
+ moduleType: string
39
+ }
40
+ expect(result.moduleType).toBe(`json`)
41
+ expect(JSON.parse(result.code)).toEqual(expected_data)
42
+ })
43
+
44
+ test.each([
45
+ [`missing file`, `/nonexistent/file.json.gz`],
46
+ [
47
+ `invalid JSON`,
48
+ (() => {
49
+ const path = join(tmpdir(), `bad-json-${Date.now()}.json.gz`)
50
+ writeFileSync(path, gzipSync(`{not valid json!!!`))
51
+ return path
52
+ })(),
53
+ ],
54
+ ])(`calls this.error for %s`, (_label, path) => {
55
+ const load = make_plugin()
56
+ const errors: string[] = []
57
+ load.call({ error: (msg: string) => errors.push(msg) }, path)
58
+ expect(errors).toHaveLength(1)
59
+ expect(errors[0]).toContain(`Failed to load`)
60
+ })
61
+ })
62
+
63
+ // The inline plugins in vite.config.ts strip query params before checking extensions,
64
+ // so they need explicit ?url skip guards — the bug that broke /convex-hull/chempot-diagram.
65
+ const strip_query = (path: string): string => path.replace(/\?.*$/, ``)
66
+
67
+ describe(`inline vite-plugin-json-gz query handling`, () => {
68
+ const should_handle = (source: string): boolean => {
69
+ const clean = strip_query(source)
70
+ if (!clean.endsWith(`.json.gz`)) return false
71
+ if (source.includes(`raw`) || source.includes(`url`)) return false
72
+ return true
73
+ }
74
+
75
+ test.each([
76
+ [`bare .json.gz import`, `data.json.gz`, true],
77
+ [`?url import`, `data.json.gz?url`, false],
78
+ [`?raw import`, `data.json.gz?raw`, false],
79
+ [`non .json.gz`, `data.json`, false],
80
+ [`glob ?url import`, `/src/site/chempot-diagram/entries.json.gz?url`, false],
81
+ [`glob eager import`, `/src/site/phonons/data.json.gz`, true],
82
+ ])(`%s → handled: %s`, (_label, source, expected) => {
83
+ expect(should_handle(source)).toBe(expected)
84
+ })
85
+ })
86
+
87
+ describe(`inline vite-plugin-raw-text query handling`, () => {
88
+ const TEXT_EXT_RE = /\.(xyz|extxyz|cif|poscar|lammpstrj|yaml\.gz)$/
89
+
90
+ const should_handle = (source: string): boolean => {
91
+ if (source.includes(`url`)) return false
92
+ const clean = strip_query(source)
93
+ const is_raw_gz = clean.endsWith(`.json.gz`) && source.includes(`raw`)
94
+ return TEXT_EXT_RE.test(clean) || is_raw_gz
95
+ }
96
+
97
+ test.each([
98
+ [`bare .xyz`, `trajectory.xyz`, true],
99
+ [`?raw .xyz`, `trajectory.xyz?raw`, true],
100
+ [`?url .xyz`, `trajectory.xyz?url`, false],
101
+ [`bare .extxyz`, `atoms.extxyz`, true],
102
+ [`?url .extxyz`, `atoms.extxyz?url`, false],
103
+ [`bare .cif`, `structure.cif`, true],
104
+ [`?url .cif`, `structure.cif?url`, false],
105
+ [`bare .lammpstrj`, `dump.lammpstrj`, true],
106
+ [`?url .lammpstrj`, `dump.lammpstrj?url`, false],
107
+ [`?raw .json.gz`, `data.json.gz?raw`, true],
108
+ [`?url .json.gz`, `data.json.gz?url`, false],
109
+ [`non-text file`, `image.png`, false],
110
+ [`.json (no gz)`, `data.json`, false],
111
+ ])(`%s → handled: %s`, (_label, source, expected) => {
112
+ expect(should_handle(source)).toBe(expected)
113
+ })
114
+ })
@@ -0,0 +1,18 @@
1
+ import type { Plugin } from 'vite'
2
+
3
+ export const mock_vscode = (): Plugin => ({
4
+ name: `vscode-mock`,
5
+ enforce: `pre`,
6
+ resolveId: (module_id) => (module_id === `vscode` ? `\0vscode-mock` : null),
7
+ load: (module_id) =>
8
+ module_id === `\0vscode-mock`
9
+ ? `
10
+ export const __noop = () => undefined
11
+ const __proxy = new Proxy(function(){}, { get: () => __proxy, apply: () => undefined, construct: () => ({}) })
12
+ export const window = __proxy
13
+ export const commands = __proxy
14
+ export const workspace = __proxy
15
+ export default { window, commands, workspace }
16
+ `
17
+ : null,
18
+ })
@@ -0,0 +1,231 @@
1
+ import { afterEach, describe, expect, test, vi } from 'vitest'
2
+ import { base64_to_array_buffer, setup_vscode_download } from '../src/webview/main'
3
+
4
+ declare global {
5
+ // download function added by VSCode integration
6
+ var download: (content: string | Blob, filename: string, contentType: string) => void
7
+ }
8
+
9
+ describe(`Webview Integration - ASE Binary Trajectory Support`, () => {
10
+ test.each([
11
+ [`SGVsbG8gV29ybGQ=`, `Hello World`, 11], // Basic ASCII
12
+ [`QUJDREVGR0g=`, `ABCDEFGH`, 8], // Another ASCII
13
+ [``, ``, 0], // Empty string
14
+ [`QQ==`, `A`, 1], // Single character
15
+ [`QUI=`, `AB`, 2], // Two characters
16
+ ])(`base64_to_array_buffer: %s → %s (%i bytes)`, (base64, expected, byte_length) => {
17
+ const result = base64_to_array_buffer(base64)
18
+ expect(result).toBeInstanceOf(ArrayBuffer)
19
+ expect(result.byteLength).toBe(byte_length)
20
+ expect(new TextDecoder().decode(result)).toBe(expected)
21
+ })
22
+
23
+ test(`handles ASE trajectory file header correctly`, () => {
24
+ const ase_header = new Uint8Array([
25
+ 0x2d, 0x20, 0x6f, 0x66, 0x20, 0x55, 0x6c, 0x6d, 0x41, 0x53, 0x45, 0x2d, 0x54, 0x72, 0x61,
26
+ 0x6a,
27
+ ])
28
+ const result = base64_to_array_buffer(btoa(String.fromCharCode(...ase_header)))
29
+ expect(result.byteLength).toBe(ase_header.length)
30
+ expect(new TextDecoder().decode(result.slice(0, 8))).toBe(`- of Ulm`)
31
+ })
32
+
33
+ test(`preserves byte order and handles performance`, () => {
34
+ const test_bytes = new Uint8Array([0x00, 0x01, 0x02, 0x03, 0xff, 0xfe, 0xfd, 0xfc])
35
+ const result = base64_to_array_buffer(btoa(String.fromCharCode(...test_bytes)))
36
+ expect(Array.from(new Uint8Array(result))).toEqual(Array.from(test_bytes))
37
+
38
+ const large_data = new Uint8Array(10000).fill(42)
39
+ const start = performance.now()
40
+ const large_result = base64_to_array_buffer(btoa(String.fromCharCode(...large_data)))
41
+ expect(performance.now() - start).toBeLessThan(100)
42
+ expect(large_result.byteLength).toBe(large_data.length)
43
+ })
44
+
45
+ test.each([1024, 8192, 32768])(
46
+ `handles typical ASE trajectory file size: %i bytes`,
47
+ (size) => {
48
+ const data = new Uint8Array(size)
49
+ for (let idx = 0; idx < size; idx++) data[idx] = idx % 256
50
+ const result = base64_to_array_buffer(btoa(String.fromCharCode(...data)))
51
+ const result_array = new Uint8Array(result)
52
+ expect(result.byteLength).toBe(size)
53
+ expect(result_array[0]).toBe(0)
54
+ expect(result_array[255]).toBe(255)
55
+ expect(result_array[size - 1]).toBe((size - 1) % 256)
56
+ },
57
+ )
58
+
59
+ test(`ASE trajectory file regression test - simulates VS Code extension flow`, () => {
60
+ const ase_data = new Uint8Array([
61
+ 0x2d,
62
+ 0x20,
63
+ 0x6f,
64
+ 0x66,
65
+ 0x20,
66
+ 0x55,
67
+ 0x6c,
68
+ 0x6d, // "- of Ulm"
69
+ 0x41,
70
+ 0x53,
71
+ 0x45,
72
+ 0x2d,
73
+ 0x54,
74
+ 0x72,
75
+ 0x61,
76
+ 0x6a,
77
+ 0x65,
78
+ 0x63,
79
+ 0x74,
80
+ 0x6f,
81
+ 0x72,
82
+ 0x79,
83
+ 0x00,
84
+ 0x00, // "ASE-Trajectory"
85
+ ...Array(176).fill(0), // Mock trajectory data
86
+ ])
87
+ const result = base64_to_array_buffer(btoa(String.fromCharCode(...ase_data)))
88
+ const result_array = new Uint8Array(result)
89
+ expect(result.byteLength).toBe(ase_data.length)
90
+ expect(new TextDecoder().decode(result_array.slice(0, 8))).toBe(`- of Ulm`)
91
+ expect(new TextDecoder().decode(result_array.slice(8, 24)).replace(/\0/g, ``)).toBe(
92
+ `ASE-Trajectory`,
93
+ )
94
+ })
95
+ })
96
+
97
+ describe(`VSCode Download Integration`, () => {
98
+ afterEach(vi.useRealTimers)
99
+
100
+ test(`sets up global download override when VSCode API is available`, async () => {
101
+ vi.resetModules() // Reset modules to clear cached vscode_api variable in webview/main.ts
102
+ const mock_post_message = vi.fn()
103
+ globalThis.acquireVsCodeApi = vi.fn(() => ({
104
+ postMessage: mock_post_message,
105
+ setState: vi.fn(),
106
+ getState: vi.fn(),
107
+ }))
108
+ const { setup_vscode_download } = await import(`../src/webview/main`)
109
+ setup_vscode_download()
110
+ expect(typeof globalThis.download).toBe(`function`)
111
+ globalThis.download(`test content`, `test.json`, `application/json`)
112
+ expect(mock_post_message).toHaveBeenCalledWith({
113
+ command: `saveAs`,
114
+ content: `test content`,
115
+ filename: `test.json`,
116
+ is_binary: false,
117
+ })
118
+ })
119
+
120
+ test(`handles binary data (PNG) correctly`, async () => {
121
+ vi.useFakeTimers()
122
+ vi.resetModules()
123
+ let load_listener: (() => void) | undefined
124
+ let result: string | null = null
125
+
126
+ globalThis.FileReader = vi.fn(function (this: FileReader) {
127
+ this.readAsDataURL = vi.fn((blob: Blob) => {
128
+ setTimeout(async () => {
129
+ // Read actual Blob content for end-to-end correctness
130
+ const array_buffer = await blob.arrayBuffer()
131
+ const uint8_array = new Uint8Array(array_buffer)
132
+ const binary_string = String.fromCharCode(...uint8_array)
133
+ const base64_string = btoa(binary_string)
134
+ result = `data:${blob.type};base64,${base64_string}`
135
+ load_listener?.()
136
+ }, 0)
137
+ })
138
+ this.addEventListener = vi.fn((type: string, listener: EventListener) => {
139
+ if (type === `load`) load_listener = listener as () => void
140
+ })
141
+ Object.defineProperty(this, `result`, { get: () => result })
142
+ }) as unknown as typeof FileReader
143
+
144
+ const mock_post_message = vi.fn()
145
+ globalThis.acquireVsCodeApi = vi.fn(() => ({
146
+ postMessage: mock_post_message,
147
+ setState: vi.fn(),
148
+ getState: vi.fn(),
149
+ }))
150
+ const { setup_vscode_download } = await import(`../src/webview/main`)
151
+ setup_vscode_download()
152
+ globalThis.download(
153
+ new Blob([`fake png data`], { type: `image/png` }),
154
+ `structure.png`,
155
+ `image/png`,
156
+ )
157
+ await vi.runAllTimersAsync()
158
+
159
+ expect(mock_post_message).toHaveBeenCalledWith({
160
+ command: `saveAs`,
161
+ content: `data:image/png;base64,ZmFrZSBwbmcgZGF0YQ==`,
162
+ filename: `structure.png`,
163
+ is_binary: true,
164
+ })
165
+ })
166
+
167
+ test.each([``, ` `])(`rejects invalid filename: "%s"`, (filename) => {
168
+ vi.resetModules()
169
+ const mock_post_message = vi.fn()
170
+ globalThis.acquireVsCodeApi = vi.fn(() => ({
171
+ postMessage: mock_post_message,
172
+ setState: vi.fn(),
173
+ getState: vi.fn(),
174
+ }))
175
+ setup_vscode_download()
176
+
177
+ globalThis.download(`test content`, filename, `application/json`)
178
+ expect(mock_post_message).not.toHaveBeenCalled()
179
+ })
180
+
181
+ test(`handles FileReader errors for binary data`, async () => {
182
+ vi.useFakeTimers()
183
+ vi.resetModules()
184
+ let error_listener: (() => void) | undefined
185
+
186
+ globalThis.FileReader = vi.fn(function (this: FileReader) {
187
+ this.readAsDataURL = vi.fn(() => setTimeout(() => error_listener?.(), 0))
188
+ this.addEventListener = vi.fn((type: string, listener: EventListener) => {
189
+ if (type === `error`) error_listener = listener as () => void
190
+ })
191
+ }) as unknown as typeof FileReader
192
+
193
+ const mock_post_message = vi.fn()
194
+ globalThis.acquireVsCodeApi = vi.fn(() => ({
195
+ postMessage: mock_post_message,
196
+ setState: vi.fn(),
197
+ getState: vi.fn(),
198
+ }))
199
+ const { setup_vscode_download } = await import(`../src/webview/main`)
200
+ setup_vscode_download()
201
+ globalThis.download(new Blob([`data`]), `test.png`, `image/png`)
202
+ await vi.runAllTimersAsync()
203
+
204
+ expect(mock_post_message).toHaveBeenCalledWith({
205
+ command: `error`,
206
+ text: `Failed to read binary data for download`,
207
+ })
208
+ })
209
+
210
+ test(`handles general exceptions during download`, async () => {
211
+ vi.resetModules()
212
+ const mock_post_message = vi.fn()
213
+ globalThis.acquireVsCodeApi = vi.fn(() => ({
214
+ postMessage: mock_post_message,
215
+ setState: vi.fn(),
216
+ getState: vi.fn(),
217
+ }))
218
+ const { setup_vscode_download } = await import(`../src/webview/main`)
219
+ setup_vscode_download()
220
+
221
+ mock_post_message.mockImplementationOnce(() => {
222
+ throw new Error(`Network error`)
223
+ })
224
+
225
+ globalThis.download(`test content`, `test.json`, `application/json`)
226
+ expect(mock_post_message).toHaveBeenCalledWith({
227
+ command: `error`,
228
+ text: `Download failed: Error: Network error`,
229
+ })
230
+ })
231
+ })