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
  262. package/dist/src/lib/trajectory/helpers.ts +217 -0
  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
  272. package/dist/src/lib/utils.ts +56 -0
  273. package/dist/src/lib/xrd/XrdPlot.svelte +615 -0
  274. package/dist/src/lib/xrd/broadening.ts +130 -0
  275. package/dist/src/lib/xrd/calc-xrd.ts +397 -0
  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
  302. package/tests/vite-plugin-json-gz.test.ts +114 -0
  303. package/tests/vscode-mock.ts +18 -0
  304. package/tests/webview.test.ts +231 -0
  305. package/tsconfig.json +20 -0
  306. package/vite-plugin-json-gz.ts +29 -0
  307. package/vite.config.ts +34 -0
  308. package/vite.extension.config.ts +34 -0
  309. package/dist/EmptyState.svelte.d.ts +0 -9
  310. package/dist/FilePicker.svelte +0 -360
  311. package/dist/FilePicker.svelte.d.ts +0 -17
  312. package/dist/Icon.svelte.d.ts +0 -13
  313. package/dist/MillerIndexInput.svelte +0 -66
  314. package/dist/MillerIndexInput.svelte.d.ts +0 -7
  315. package/dist/api/mp.d.ts +0 -6
  316. package/dist/api/mp.js +0 -22
  317. package/dist/api/optimade.d.ts +0 -45
  318. package/dist/api/optimade.js +0 -135
  319. package/dist/app.css +0 -240
  320. package/dist/brillouin/BrillouinZone.svelte +0 -543
  321. package/dist/brillouin/BrillouinZone.svelte.d.ts +0 -83
  322. package/dist/brillouin/BrillouinZoneControls.svelte +0 -144
  323. package/dist/brillouin/BrillouinZoneControls.svelte.d.ts +0 -17
  324. package/dist/brillouin/BrillouinZoneExportPane.svelte +0 -148
  325. package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +0 -15
  326. package/dist/brillouin/BrillouinZoneInfoPane.svelte +0 -146
  327. package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +0 -13
  328. package/dist/brillouin/BrillouinZoneScene.svelte +0 -476
  329. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +0 -48
  330. package/dist/brillouin/BrillouinZoneTooltip.svelte +0 -92
  331. package/dist/brillouin/BrillouinZoneTooltip.svelte.d.ts +0 -8
  332. package/dist/brillouin/compute.d.ts +0 -17
  333. package/dist/brillouin/compute.js +0 -422
  334. package/dist/brillouin/index.d.ts +0 -8
  335. package/dist/brillouin/index.js +0 -8
  336. package/dist/brillouin/types.d.ts +0 -48
  337. package/dist/brillouin/types.js +0 -1
  338. package/dist/chempot-diagram/ChemPotDiagram.svelte +0 -327
  339. package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +0 -13
  340. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +0 -847
  341. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +0 -16
  342. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +0 -3194
  343. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +0 -16
  344. package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +0 -7
  345. package/dist/chempot-diagram/async-compute.svelte.d.ts +0 -3
  346. package/dist/chempot-diagram/async-compute.svelte.js +0 -77
  347. package/dist/chempot-diagram/chempot-worker.d.ts +0 -1
  348. package/dist/chempot-diagram/chempot-worker.js +0 -11
  349. package/dist/chempot-diagram/color.d.ts +0 -10
  350. package/dist/chempot-diagram/color.js +0 -32
  351. package/dist/chempot-diagram/compute.d.ts +0 -48
  352. package/dist/chempot-diagram/compute.js +0 -812
  353. package/dist/chempot-diagram/index.d.ts +0 -6
  354. package/dist/chempot-diagram/index.js +0 -6
  355. package/dist/chempot-diagram/pointer.d.ts +0 -16
  356. package/dist/chempot-diagram/pointer.js +0 -40
  357. package/dist/chempot-diagram/temperature.d.ts +0 -15
  358. package/dist/chempot-diagram/temperature.js +0 -36
  359. package/dist/chempot-diagram/types.d.ts +0 -86
  360. package/dist/chempot-diagram/types.js +0 -28
  361. package/dist/colors/index.d.ts +0 -47
  362. package/dist/colors/index.js +0 -203
  363. package/dist/composition/BarChart.svelte +0 -297
  364. package/dist/composition/BarChart.svelte.d.ts +0 -39
  365. package/dist/composition/BubbleChart.svelte +0 -218
  366. package/dist/composition/BubbleChart.svelte.d.ts +0 -28
  367. package/dist/composition/Composition.svelte +0 -164
  368. package/dist/composition/Composition.svelte.d.ts +0 -15
  369. package/dist/composition/Formula.svelte +0 -265
  370. package/dist/composition/Formula.svelte.d.ts +0 -19
  371. package/dist/composition/FormulaFilter.svelte +0 -1259
  372. package/dist/composition/FormulaFilter.svelte.d.ts +0 -51
  373. package/dist/composition/PieChart.svelte +0 -323
  374. package/dist/composition/PieChart.svelte.d.ts +0 -37
  375. package/dist/composition/format.d.ts +0 -15
  376. package/dist/composition/format.js +0 -109
  377. package/dist/composition/index.d.ts +0 -20
  378. package/dist/composition/index.js +0 -14
  379. package/dist/composition/parse.d.ts +0 -55
  380. package/dist/composition/parse.js +0 -459
  381. package/dist/constants.d.ts +0 -29
  382. package/dist/constants.js +0 -105
  383. package/dist/controls.d.ts +0 -14
  384. package/dist/controls.js +0 -30
  385. package/dist/convex-hull/ConvexHull.svelte +0 -157
  386. package/dist/convex-hull/ConvexHull.svelte.d.ts +0 -13
  387. package/dist/convex-hull/ConvexHull2D.svelte +0 -813
  388. package/dist/convex-hull/ConvexHull2D.svelte.d.ts +0 -11
  389. package/dist/convex-hull/ConvexHull3D.svelte +0 -1788
  390. package/dist/convex-hull/ConvexHull3D.svelte.d.ts +0 -8
  391. package/dist/convex-hull/ConvexHull4D.svelte +0 -1374
  392. package/dist/convex-hull/ConvexHull4D.svelte.d.ts +0 -8
  393. package/dist/convex-hull/ConvexHullControls.svelte +0 -546
  394. package/dist/convex-hull/ConvexHullControls.svelte.d.ts +0 -48
  395. package/dist/convex-hull/ConvexHullInfoPane.svelte +0 -115
  396. package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +0 -18
  397. package/dist/convex-hull/ConvexHullStats.svelte +0 -905
  398. package/dist/convex-hull/ConvexHullStats.svelte.d.ts +0 -15
  399. package/dist/convex-hull/ConvexHullTooltip.svelte +0 -131
  400. package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +0 -33
  401. package/dist/convex-hull/GasPressureControls.svelte +0 -247
  402. package/dist/convex-hull/GasPressureControls.svelte.d.ts +0 -11
  403. package/dist/convex-hull/StructurePopup.svelte +0 -116
  404. package/dist/convex-hull/StructurePopup.svelte.d.ts +0 -18
  405. package/dist/convex-hull/TemperatureSlider.svelte +0 -137
  406. package/dist/convex-hull/TemperatureSlider.svelte.d.ts +0 -8
  407. package/dist/convex-hull/barycentric-coords.d.ts +0 -18
  408. package/dist/convex-hull/barycentric-coords.js +0 -182
  409. package/dist/convex-hull/demo-temperature.d.ts +0 -6
  410. package/dist/convex-hull/demo-temperature.js +0 -40
  411. package/dist/convex-hull/gas-thermodynamics.d.ts +0 -16
  412. package/dist/convex-hull/gas-thermodynamics.js +0 -316
  413. package/dist/convex-hull/helpers.d.ts +0 -103
  414. package/dist/convex-hull/helpers.js +0 -671
  415. package/dist/convex-hull/index.d.ts +0 -118
  416. package/dist/convex-hull/index.js +0 -57
  417. package/dist/convex-hull/thermodynamics.d.ts +0 -66
  418. package/dist/convex-hull/thermodynamics.js +0 -1752
  419. package/dist/convex-hull/types.d.ts +0 -162
  420. package/dist/convex-hull/types.js +0 -36
  421. package/dist/coordination/CoordinationBarPlot.svelte +0 -311
  422. package/dist/coordination/CoordinationBarPlot.svelte.d.ts +0 -30
  423. package/dist/coordination/calc-coordination.d.ts +0 -15
  424. package/dist/coordination/calc-coordination.js +0 -63
  425. package/dist/coordination/index.d.ts +0 -8
  426. package/dist/coordination/index.js +0 -7
  427. package/dist/element/BohrAtom.svelte +0 -149
  428. package/dist/element/BohrAtom.svelte.d.ts +0 -20
  429. package/dist/element/ElementHeading.svelte +0 -26
  430. package/dist/element/ElementHeading.svelte.d.ts +0 -8
  431. package/dist/element/ElementPhoto.svelte +0 -57
  432. package/dist/element/ElementPhoto.svelte.d.ts +0 -9
  433. package/dist/element/ElementStats.svelte +0 -80
  434. package/dist/element/ElementStats.svelte.d.ts +0 -8
  435. package/dist/element/ElementTile.svelte +0 -484
  436. package/dist/element/ElementTile.svelte.d.ts +0 -29
  437. package/dist/element/Nucleus.svelte.d.ts +0 -17
  438. package/dist/element/data.d.ts +0 -3
  439. package/dist/element/data.js +0 -2
  440. package/dist/element/data.json.gz.d.ts +0 -2
  441. package/dist/element/index.d.ts +0 -8
  442. package/dist/element/index.js +0 -8
  443. package/dist/element/types.d.ts +0 -57
  444. package/dist/element/types.js +0 -1
  445. package/dist/feedback/ClickFeedback.svelte +0 -58
  446. package/dist/feedback/ClickFeedback.svelte.d.ts +0 -12
  447. package/dist/feedback/DragOverlay.svelte +0 -42
  448. package/dist/feedback/DragOverlay.svelte.d.ts +0 -7
  449. package/dist/feedback/Spinner.svelte.d.ts +0 -7
  450. package/dist/feedback/StatusMessage.svelte.d.ts +0 -9
  451. package/dist/feedback/index.d.ts +0 -4
  452. package/dist/feedback/index.js +0 -4
  453. package/dist/fermi-surface/FermiSlice.svelte +0 -189
  454. package/dist/fermi-surface/FermiSlice.svelte.d.ts +0 -24
  455. package/dist/fermi-surface/FermiSurface.svelte +0 -597
  456. package/dist/fermi-surface/FermiSurface.svelte.d.ts +0 -83
  457. package/dist/fermi-surface/FermiSurfaceControls.svelte +0 -452
  458. package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +0 -35
  459. package/dist/fermi-surface/FermiSurfaceScene.svelte +0 -792
  460. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +0 -50
  461. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +0 -111
  462. package/dist/fermi-surface/FermiSurfaceTooltip.svelte.d.ts +0 -8
  463. package/dist/fermi-surface/compute.d.ts +0 -5
  464. package/dist/fermi-surface/compute.js +0 -538
  465. package/dist/fermi-surface/constants.d.ts +0 -9
  466. package/dist/fermi-surface/constants.js +0 -27
  467. package/dist/fermi-surface/export.d.ts +0 -5
  468. package/dist/fermi-surface/export.js +0 -63
  469. package/dist/fermi-surface/index.d.ts +0 -12
  470. package/dist/fermi-surface/index.js +0 -13
  471. package/dist/fermi-surface/marching-cubes.d.ts +0 -2
  472. package/dist/fermi-surface/marching-cubes.js +0 -2
  473. package/dist/fermi-surface/parse.d.ts +0 -2
  474. package/dist/fermi-surface/parse.js +0 -495
  475. package/dist/fermi-surface/symmetry.d.ts +0 -3
  476. package/dist/fermi-surface/symmetry.js +0 -46
  477. package/dist/fermi-surface/types.d.ts +0 -113
  478. package/dist/fermi-surface/types.js +0 -4
  479. package/dist/heatmap-matrix/HeatmapMatrix.svelte +0 -1527
  480. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +0 -110
  481. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +0 -225
  482. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +0 -30
  483. package/dist/heatmap-matrix/index.d.ts +0 -53
  484. package/dist/heatmap-matrix/index.js +0 -100
  485. package/dist/heatmap-matrix/shared.d.ts +0 -2
  486. package/dist/heatmap-matrix/shared.js +0 -4
  487. package/dist/icons.d.ts +0 -569
  488. package/dist/icons.js +0 -648
  489. package/dist/index.d.ts +0 -39
  490. package/dist/index.js +0 -39
  491. package/dist/io/decompress.d.ts +0 -10
  492. package/dist/io/decompress.js +0 -69
  493. package/dist/io/export.d.ts +0 -16
  494. package/dist/io/export.js +0 -312
  495. package/dist/io/fetch.d.ts +0 -5
  496. package/dist/io/fetch.js +0 -39
  497. package/dist/io/file-drop.d.ts +0 -7
  498. package/dist/io/file-drop.js +0 -43
  499. package/dist/io/index.d.ts +0 -7
  500. package/dist/io/index.js +0 -7
  501. package/dist/io/is-binary.d.ts +0 -1
  502. package/dist/io/is-binary.js +0 -5
  503. package/dist/io/types.d.ts +0 -8
  504. package/dist/io/types.js +0 -1
  505. package/dist/io/url-drop.d.ts +0 -2
  506. package/dist/io/url-drop.js +0 -117
  507. package/dist/isosurface/Isosurface.svelte +0 -285
  508. package/dist/isosurface/Isosurface.svelte.d.ts +0 -8
  509. package/dist/isosurface/IsosurfaceControls.svelte +0 -291
  510. package/dist/isosurface/IsosurfaceControls.svelte.d.ts +0 -9
  511. package/dist/isosurface/index.d.ts +0 -5
  512. package/dist/isosurface/index.js +0 -6
  513. package/dist/isosurface/parse.d.ts +0 -6
  514. package/dist/isosurface/parse.js +0 -553
  515. package/dist/isosurface/slice.d.ts +0 -11
  516. package/dist/isosurface/slice.js +0 -140
  517. package/dist/isosurface/types.d.ts +0 -56
  518. package/dist/isosurface/types.js +0 -227
  519. package/dist/labels.d.ts +0 -53
  520. package/dist/labels.js +0 -274
  521. package/dist/layout/FullscreenToggle.svelte +0 -50
  522. package/dist/layout/FullscreenToggle.svelte.d.ts +0 -7
  523. package/dist/layout/InfoCard.svelte +0 -120
  524. package/dist/layout/InfoCard.svelte.d.ts +0 -21
  525. package/dist/layout/InfoTag.svelte +0 -183
  526. package/dist/layout/InfoTag.svelte.d.ts +0 -19
  527. package/dist/layout/PropertyFilter.svelte +0 -244
  528. package/dist/layout/PropertyFilter.svelte.d.ts +0 -24
  529. package/dist/layout/SettingsSection.svelte +0 -148
  530. package/dist/layout/SettingsSection.svelte.d.ts +0 -17
  531. package/dist/layout/SubpageGrid.svelte +0 -82
  532. package/dist/layout/SubpageGrid.svelte.d.ts +0 -14
  533. package/dist/layout/fullscreen.d.ts +0 -9
  534. package/dist/layout/fullscreen.js +0 -53
  535. package/dist/layout/index.d.ts +0 -10
  536. package/dist/layout/index.js +0 -8
  537. package/dist/layout/json-tree/JsonNode.svelte +0 -547
  538. package/dist/layout/json-tree/JsonNode.svelte.d.ts +0 -11
  539. package/dist/layout/json-tree/JsonTree.svelte +0 -1222
  540. package/dist/layout/json-tree/JsonTree.svelte.d.ts +0 -6
  541. package/dist/layout/json-tree/JsonValue.svelte +0 -334
  542. package/dist/layout/json-tree/JsonValue.svelte.d.ts +0 -9
  543. package/dist/layout/json-tree/index.d.ts +0 -3
  544. package/dist/layout/json-tree/index.js +0 -3
  545. package/dist/layout/json-tree/types.d.ts +0 -73
  546. package/dist/layout/json-tree/types.js +0 -3
  547. package/dist/layout/json-tree/utils.d.ts +0 -29
  548. package/dist/layout/json-tree/utils.js +0 -648
  549. package/dist/marching-cubes.d.ts +0 -14
  550. package/dist/marching-cubes.js +0 -542
  551. package/dist/math.d.ts +0 -91
  552. package/dist/math.js +0 -896
  553. package/dist/overlays/ContextMenu.svelte +0 -162
  554. package/dist/overlays/ContextMenu.svelte.d.ts +0 -25
  555. package/dist/overlays/DraggablePane.svelte +0 -564
  556. package/dist/overlays/DraggablePane.svelte.d.ts +0 -36
  557. package/dist/overlays/index.d.ts +0 -2
  558. package/dist/overlays/index.js +0 -2
  559. package/dist/periodic-table/PeriodicTable.svelte +0 -469
  560. package/dist/periodic-table/PeriodicTable.svelte.d.ts +0 -55
  561. package/dist/periodic-table/PeriodicTableControls.svelte +0 -557
  562. package/dist/periodic-table/PeriodicTableControls.svelte.d.ts +0 -24
  563. package/dist/periodic-table/PropertySelect.svelte +0 -37
  564. package/dist/periodic-table/PropertySelect.svelte.d.ts +0 -13
  565. package/dist/periodic-table/TableInset.svelte.d.ts +0 -9
  566. package/dist/periodic-table/index.d.ts +0 -10
  567. package/dist/periodic-table/index.js +0 -4
  568. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +0 -1086
  569. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +0 -44
  570. package/dist/phase-diagram/PhaseDiagramControls.svelte +0 -451
  571. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +0 -30
  572. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +0 -126
  573. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +0 -15
  574. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +0 -192
  575. package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +0 -19
  576. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +0 -392
  577. package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +0 -16
  578. package/dist/phase-diagram/TdbInfoPanel.svelte +0 -203
  579. package/dist/phase-diagram/TdbInfoPanel.svelte.d.ts +0 -12
  580. package/dist/phase-diagram/build-diagram.d.ts +0 -11
  581. package/dist/phase-diagram/build-diagram.js +0 -167
  582. package/dist/phase-diagram/colors.d.ts +0 -35
  583. package/dist/phase-diagram/colors.js +0 -51
  584. package/dist/phase-diagram/diagram-input.d.ts +0 -33
  585. package/dist/phase-diagram/diagram-input.js +0 -3
  586. package/dist/phase-diagram/index.d.ts +0 -13
  587. package/dist/phase-diagram/index.js +0 -13
  588. package/dist/phase-diagram/parse.d.ts +0 -55
  589. package/dist/phase-diagram/parse.js +0 -276
  590. package/dist/phase-diagram/svg-to-diagram.d.ts +0 -2
  591. package/dist/phase-diagram/svg-to-diagram.js +0 -869
  592. package/dist/phase-diagram/types.d.ts +0 -99
  593. package/dist/phase-diagram/types.js +0 -1
  594. package/dist/phase-diagram/utils.d.ts +0 -118
  595. package/dist/phase-diagram/utils.js +0 -606
  596. package/dist/plot/AxisLabel.svelte +0 -51
  597. package/dist/plot/AxisLabel.svelte.d.ts +0 -16
  598. package/dist/plot/BarPlot.svelte +0 -2256
  599. package/dist/plot/BarPlot.svelte.d.ts +0 -82
  600. package/dist/plot/BarPlotControls.svelte +0 -66
  601. package/dist/plot/BarPlotControls.svelte.d.ts +0 -18
  602. package/dist/plot/ColorBar.svelte +0 -719
  603. package/dist/plot/ColorBar.svelte.d.ts +0 -31
  604. package/dist/plot/ColorScaleSelect.svelte +0 -54
  605. package/dist/plot/ColorScaleSelect.svelte.d.ts +0 -15
  606. package/dist/plot/ElementScatter.svelte +0 -63
  607. package/dist/plot/ElementScatter.svelte.d.ts +0 -14
  608. package/dist/plot/FillArea.svelte +0 -226
  609. package/dist/plot/FillArea.svelte.d.ts +0 -20
  610. package/dist/plot/Histogram.svelte +0 -1654
  611. package/dist/plot/Histogram.svelte.d.ts +0 -50
  612. package/dist/plot/HistogramControls.svelte +0 -212
  613. package/dist/plot/HistogramControls.svelte.d.ts +0 -22
  614. package/dist/plot/InteractiveAxisLabel.svelte +0 -94
  615. package/dist/plot/InteractiveAxisLabel.svelte.d.ts +0 -14
  616. package/dist/plot/Line.svelte +0 -85
  617. package/dist/plot/Line.svelte.d.ts +0 -15
  618. package/dist/plot/PlotControls.svelte +0 -537
  619. package/dist/plot/PlotControls.svelte.d.ts +0 -4
  620. package/dist/plot/PlotLegend.svelte +0 -498
  621. package/dist/plot/PlotLegend.svelte.d.ts +0 -25
  622. package/dist/plot/PlotTooltip.svelte +0 -67
  623. package/dist/plot/PlotTooltip.svelte.d.ts +0 -17
  624. package/dist/plot/PortalSelect.svelte +0 -253
  625. package/dist/plot/PortalSelect.svelte.d.ts +0 -16
  626. package/dist/plot/ReferenceLine.svelte.d.ts +0 -20
  627. package/dist/plot/ReferenceLine3D.svelte +0 -154
  628. package/dist/plot/ReferenceLine3D.svelte.d.ts +0 -14
  629. package/dist/plot/ReferencePlane.svelte +0 -178
  630. package/dist/plot/ReferencePlane.svelte.d.ts +0 -14
  631. package/dist/plot/ScatterPlot.svelte +0 -2831
  632. package/dist/plot/ScatterPlot.svelte.d.ts +0 -92
  633. package/dist/plot/ScatterPlot3D.svelte +0 -499
  634. package/dist/plot/ScatterPlot3D.svelte.d.ts +0 -94
  635. package/dist/plot/ScatterPlot3DControls.svelte +0 -437
  636. package/dist/plot/ScatterPlot3DControls.svelte.d.ts +0 -20
  637. package/dist/plot/ScatterPlot3DScene.svelte +0 -912
  638. package/dist/plot/ScatterPlot3DScene.svelte.d.ts +0 -74
  639. package/dist/plot/ScatterPlotControls.svelte +0 -307
  640. package/dist/plot/ScatterPlotControls.svelte.d.ts +0 -17
  641. package/dist/plot/ScatterPoint.svelte +0 -185
  642. package/dist/plot/ScatterPoint.svelte.d.ts +0 -19
  643. package/dist/plot/SpacegroupBarPlot.svelte +0 -292
  644. package/dist/plot/SpacegroupBarPlot.svelte.d.ts +0 -9
  645. package/dist/plot/Surface3D.svelte +0 -200
  646. package/dist/plot/Surface3D.svelte.d.ts +0 -13
  647. package/dist/plot/ZeroLines.svelte +0 -96
  648. package/dist/plot/ZeroLines.svelte.d.ts +0 -32
  649. package/dist/plot/ZoomRect.svelte +0 -23
  650. package/dist/plot/ZoomRect.svelte.d.ts +0 -8
  651. package/dist/plot/axis-utils.d.ts +0 -19
  652. package/dist/plot/axis-utils.js +0 -80
  653. package/dist/plot/data-cleaning.d.ts +0 -37
  654. package/dist/plot/data-cleaning.js +0 -855
  655. package/dist/plot/data-transform.d.ts +0 -16
  656. package/dist/plot/data-transform.js +0 -45
  657. package/dist/plot/defaults.d.ts +0 -19
  658. package/dist/plot/defaults.js +0 -9
  659. package/dist/plot/fill-utils.d.ts +0 -51
  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
  694. package/dist/spectral/Bands.svelte.d.ts +0 -40
  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
  708. package/dist/state.svelte.js +0 -45
  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
  712. package/dist/structure/AtomLegend.svelte.d.ts +0 -34
  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
  716. package/dist/structure/CanvasTooltip.svelte.d.ts +0 -12
  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
  720. package/dist/structure/Cylinder.svelte.d.ts +0 -10
  721. package/dist/structure/Lattice.svelte +0 -196
  722. package/dist/structure/Lattice.svelte.d.ts +0 -17
  723. package/dist/structure/Structure.svelte +0 -1857
  724. package/dist/structure/Structure.svelte.d.ts +0 -83
  725. package/dist/structure/StructureControls.svelte +0 -1184
  726. package/dist/structure/StructureControls.svelte.d.ts +0 -31
  727. package/dist/structure/StructureExportPane.svelte +0 -251
  728. package/dist/structure/StructureExportPane.svelte.d.ts +0 -17
  729. package/dist/structure/StructureInfoPane.svelte +0 -434
  730. package/dist/structure/StructureInfoPane.svelte.d.ts +0 -18
  731. package/dist/structure/StructureScene.svelte +0 -1574
  732. package/dist/structure/StructureScene.svelte.d.ts +0 -104
  733. package/dist/structure/atom-properties.d.ts +0 -37
  734. package/dist/structure/atom-properties.js +0 -198
  735. package/dist/structure/bonding.d.ts +0 -33
  736. package/dist/structure/bonding.js +0 -304
  737. package/dist/structure/export.d.ts +0 -20
  738. package/dist/structure/export.js +0 -725
  739. package/dist/structure/ferrox-wasm-types.d.ts +0 -46
  740. package/dist/structure/ferrox-wasm-types.js +0 -18
  741. package/dist/structure/ferrox-wasm.d.ts +0 -94
  742. package/dist/structure/ferrox-wasm.js +0 -249
  743. package/dist/structure/index.d.ts +0 -110
  744. package/dist/structure/index.js +0 -168
  745. package/dist/structure/measure.d.ts +0 -6
  746. package/dist/structure/measure.js +0 -29
  747. package/dist/structure/parse.d.ts +0 -65
  748. package/dist/structure/parse.js +0 -1374
  749. package/dist/structure/partial-occupancy.d.ts +0 -25
  750. package/dist/structure/partial-occupancy.js +0 -99
  751. package/dist/structure/pbc.d.ts +0 -9
  752. package/dist/structure/pbc.js +0 -123
  753. package/dist/structure/supercell.d.ts +0 -8
  754. package/dist/structure/supercell.js +0 -137
  755. package/dist/structure/validation.d.ts +0 -2
  756. package/dist/structure/validation.js +0 -10
  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
  761. package/dist/symmetry/cell-transform.d.ts +0 -12
  762. package/dist/symmetry/cell-transform.js +0 -77
  763. package/dist/symmetry/index.d.ts +0 -43
  764. package/dist/symmetry/index.js +0 -229
  765. package/dist/symmetry/spacegroups.d.ts +0 -9
  766. package/dist/symmetry/spacegroups.js +0 -394
  767. package/dist/table/HeatmapTable.svelte +0 -1854
  768. package/dist/table/HeatmapTable.svelte.d.ts +0 -49
  769. package/dist/table/ToggleMenu.svelte +0 -376
  770. package/dist/table/ToggleMenu.svelte.d.ts +0 -11
  771. package/dist/table/index.d.ts +0 -74
  772. package/dist/table/index.js +0 -38
  773. package/dist/theme/ThemeControl.svelte +0 -53
  774. package/dist/theme/ThemeControl.svelte.d.ts +0 -9
  775. package/dist/theme/index.d.ts +0 -29
  776. package/dist/theme/index.js +0 -79
  777. package/dist/theme/themes.mjs +0 -285
  778. package/dist/time.d.ts +0 -4
  779. package/dist/time.js +0 -70
  780. package/dist/tooltip/TooltipContent.svelte +0 -58
  781. package/dist/tooltip/TooltipContent.svelte.d.ts +0 -31
  782. package/dist/tooltip/index.d.ts +0 -2
  783. package/dist/tooltip/index.js +0 -2
  784. package/dist/tooltip/types.d.ts +0 -8
  785. package/dist/tooltip/types.js +0 -1
  786. package/dist/trajectory/Trajectory.svelte +0 -1517
  787. package/dist/trajectory/Trajectory.svelte.d.ts +0 -77
  788. package/dist/trajectory/TrajectoryError.svelte +0 -128
  789. package/dist/trajectory/TrajectoryError.svelte.d.ts +0 -13
  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
  795. package/dist/trajectory/constants.js +0 -7
  796. package/dist/trajectory/extract.d.ts +0 -5
  797. package/dist/trajectory/extract.js +0 -162
  798. package/dist/trajectory/format-detect.d.ts +0 -9
  799. package/dist/trajectory/format-detect.js +0 -76
  800. package/dist/trajectory/frame-reader.d.ts +0 -17
  801. package/dist/trajectory/frame-reader.js +0 -332
  802. package/dist/trajectory/helpers.d.ts +0 -14
  803. package/dist/trajectory/helpers.js +0 -172
  804. package/dist/trajectory/index.d.ts +0 -63
  805. package/dist/trajectory/index.js +0 -126
  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
  809. package/dist/trajectory/parse/hdf5.js +0 -129
  810. package/dist/trajectory/parse/index.d.ts +0 -12
  811. package/dist/trajectory/parse/index.js +0 -299
  812. package/dist/trajectory/parse/lammps.d.ts +0 -5
  813. package/dist/trajectory/parse/lammps.js +0 -179
  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
  817. package/dist/trajectory/parse/xyz.js +0 -110
  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
@@ -1,542 +0,0 @@
1
- // Edge table: for each cube configuration (256 cases), which edges are intersected
2
- // Each bit indicates whether that edge has an intersection
3
- // oxfmt-ignore
4
- const EDGE_TABLE = [
5
- 0x0, 0x109, 0x203, 0x30a, 0x406, 0x50f, 0x605, 0x70c, 0x80c, 0x905, 0xa0f, 0xb06, 0xc0a,
6
- 0xd03, 0xe09, 0xf00, 0x190, 0x99, 0x393, 0x29a, 0x596, 0x49f, 0x795, 0x69c, 0x99c,
7
- 0x895, 0xb9f, 0xa96, 0xd9a, 0xc93, 0xf99, 0xe90, 0x230, 0x339, 0x33, 0x13a, 0x636,
8
- 0x73f, 0x435, 0x53c, 0xa3c, 0xb35, 0x83f, 0x936, 0xe3a, 0xf33, 0xc39, 0xd30, 0x3a0,
9
- 0x2a9, 0x1a3, 0xaa, 0x7a6, 0x6af, 0x5a5, 0x4ac, 0xbac, 0xaa5, 0x9af, 0x8a6, 0xfaa,
10
- 0xea3, 0xda9, 0xca0, 0x460, 0x569, 0x663, 0x76a, 0x66, 0x16f, 0x265, 0x36c, 0xc6c,
11
- 0xd65, 0xe6f, 0xf66, 0x86a, 0x963, 0xa69, 0xb60, 0x5f0, 0x4f9, 0x7f3, 0x6fa, 0x1f6,
12
- 0xff, 0x3f5, 0x2fc, 0xdfc, 0xcf5, 0xfff, 0xef6, 0x9fa, 0x8f3, 0xbf9, 0xaf0, 0x650,
13
- 0x759, 0x453, 0x55a, 0x256, 0x35f, 0x55, 0x15c, 0xe5c, 0xf55, 0xc5f, 0xd56, 0xa5a,
14
- 0xb53, 0x859, 0x950, 0x7c0, 0x6c9, 0x5c3, 0x4ca, 0x3c6, 0x2cf, 0x1c5, 0xcc, 0xfcc,
15
- 0xec5, 0xdcf, 0xcc6, 0xbca, 0xac3, 0x9c9, 0x8c0, 0x8c0, 0x9c9, 0xac3, 0xbca, 0xcc6,
16
- 0xdcf, 0xec5, 0xfcc, 0xcc, 0x1c5, 0x2cf, 0x3c6, 0x4ca, 0x5c3, 0x6c9, 0x7c0, 0x950,
17
- 0x859, 0xb53, 0xa5a, 0xd56, 0xc5f, 0xf55, 0xe5c, 0x15c, 0x55, 0x35f, 0x256, 0x55a,
18
- 0x453, 0x759, 0x650, 0xaf0, 0xbf9, 0x8f3, 0x9fa, 0xef6, 0xfff, 0xcf5, 0xdfc, 0x2fc,
19
- 0x3f5, 0xff, 0x1f6, 0x6fa, 0x7f3, 0x4f9, 0x5f0, 0xb60, 0xa69, 0x963, 0x86a, 0xf66,
20
- 0xe6f, 0xd65, 0xc6c, 0x36c, 0x265, 0x16f, 0x66, 0x76a, 0x663, 0x569, 0x460, 0xca0,
21
- 0xda9, 0xea3, 0xfaa, 0x8a6, 0x9af, 0xaa5, 0xbac, 0x4ac, 0x5a5, 0x6af, 0x7a6, 0xaa,
22
- 0x1a3, 0x2a9, 0x3a0, 0xd30, 0xc39, 0xf33, 0xe3a, 0x936, 0x83f, 0xb35, 0xa3c, 0x53c,
23
- 0x435, 0x73f, 0x636, 0x13a, 0x33, 0x339, 0x230, 0xe90, 0xf99, 0xc93, 0xd9a, 0xa96,
24
- 0xb9f, 0x895, 0x99c, 0x69c, 0x795, 0x49f, 0x596, 0x29a, 0x393, 0x99, 0x190, 0xf00,
25
- 0xe09, 0xd03, 0xc0a, 0xb06, 0xa0f, 0x905, 0x80c, 0x70c, 0x605, 0x50f, 0x406, 0x30a,
26
- 0x203, 0x109, 0x0,
27
- ];
28
- // Triangle table: for each cube configuration, list of edge triplets forming triangles
29
- // -1 marks the end of the triangle list for that configuration
30
- const TRI_TABLE = [
31
- [],
32
- [0, 8, 3],
33
- [0, 1, 9],
34
- [1, 8, 3, 9, 8, 1],
35
- [1, 2, 10],
36
- [0, 8, 3, 1, 2, 10],
37
- [9, 2, 10, 0, 2, 9],
38
- [2, 8, 3, 2, 10, 8, 10, 9, 8],
39
- [3, 11, 2],
40
- [0, 11, 2, 8, 11, 0],
41
- [1, 9, 0, 2, 3, 11],
42
- [1, 11, 2, 1, 9, 11, 9, 8, 11],
43
- [3, 10, 1, 11, 10, 3],
44
- [0, 10, 1, 0, 8, 10, 8, 11, 10],
45
- [3, 9, 0, 3, 11, 9, 11, 10, 9],
46
- [9, 8, 10, 10, 8, 11],
47
- [4, 7, 8],
48
- [4, 3, 0, 7, 3, 4],
49
- [0, 1, 9, 8, 4, 7],
50
- [4, 1, 9, 4, 7, 1, 7, 3, 1],
51
- [1, 2, 10, 8, 4, 7],
52
- [3, 4, 7, 3, 0, 4, 1, 2, 10],
53
- [9, 2, 10, 9, 0, 2, 8, 4, 7],
54
- [2, 10, 9, 2, 9, 7, 2, 7, 3, 7, 9, 4],
55
- [8, 4, 7, 3, 11, 2],
56
- [11, 4, 7, 11, 2, 4, 2, 0, 4],
57
- [9, 0, 1, 8, 4, 7, 2, 3, 11],
58
- [4, 7, 11, 9, 4, 11, 9, 11, 2, 9, 2, 1],
59
- [3, 10, 1, 3, 11, 10, 7, 8, 4],
60
- [1, 11, 10, 1, 4, 11, 1, 0, 4, 7, 11, 4],
61
- [4, 7, 8, 9, 0, 11, 9, 11, 10, 11, 0, 3],
62
- [4, 7, 11, 4, 11, 9, 9, 11, 10],
63
- [9, 5, 4],
64
- [9, 5, 4, 0, 8, 3],
65
- [0, 5, 4, 1, 5, 0],
66
- [8, 5, 4, 8, 3, 5, 3, 1, 5],
67
- [1, 2, 10, 9, 5, 4],
68
- [3, 0, 8, 1, 2, 10, 4, 9, 5],
69
- [5, 2, 10, 5, 4, 2, 4, 0, 2],
70
- [2, 10, 5, 3, 2, 5, 3, 5, 4, 3, 4, 8],
71
- [9, 5, 4, 2, 3, 11],
72
- [0, 11, 2, 0, 8, 11, 4, 9, 5],
73
- [0, 5, 4, 0, 1, 5, 2, 3, 11],
74
- [2, 1, 5, 2, 5, 8, 2, 8, 11, 4, 8, 5],
75
- [10, 3, 11, 10, 1, 3, 9, 5, 4],
76
- [4, 9, 5, 0, 8, 1, 8, 10, 1, 8, 11, 10],
77
- [5, 4, 0, 5, 0, 11, 5, 11, 10, 11, 0, 3],
78
- [5, 4, 8, 5, 8, 10, 10, 8, 11],
79
- [9, 7, 8, 5, 7, 9],
80
- [9, 3, 0, 9, 5, 3, 5, 7, 3],
81
- [0, 7, 8, 0, 1, 7, 1, 5, 7],
82
- [1, 5, 3, 3, 5, 7],
83
- [9, 7, 8, 9, 5, 7, 10, 1, 2],
84
- [10, 1, 2, 9, 5, 0, 5, 3, 0, 5, 7, 3],
85
- [8, 0, 2, 8, 2, 5, 8, 5, 7, 10, 5, 2],
86
- [2, 10, 5, 2, 5, 3, 3, 5, 7],
87
- [7, 9, 5, 7, 8, 9, 3, 11, 2],
88
- [9, 5, 7, 9, 7, 2, 9, 2, 0, 2, 7, 11],
89
- [2, 3, 11, 0, 1, 8, 1, 7, 8, 1, 5, 7],
90
- [11, 2, 1, 11, 1, 7, 7, 1, 5],
91
- [9, 5, 8, 8, 5, 7, 10, 1, 3, 10, 3, 11],
92
- [5, 7, 0, 5, 0, 9, 7, 11, 0, 1, 0, 10, 11, 10, 0],
93
- [11, 10, 0, 11, 0, 3, 10, 5, 0, 8, 0, 7, 5, 7, 0],
94
- [11, 10, 5, 7, 11, 5],
95
- [10, 6, 5],
96
- [0, 8, 3, 5, 10, 6],
97
- [9, 0, 1, 5, 10, 6],
98
- [1, 8, 3, 1, 9, 8, 5, 10, 6],
99
- [1, 6, 5, 2, 6, 1],
100
- [1, 6, 5, 1, 2, 6, 3, 0, 8],
101
- [9, 6, 5, 9, 0, 6, 0, 2, 6],
102
- [5, 9, 8, 5, 8, 2, 5, 2, 6, 3, 2, 8],
103
- [2, 3, 11, 10, 6, 5],
104
- [11, 0, 8, 11, 2, 0, 10, 6, 5],
105
- [0, 1, 9, 2, 3, 11, 5, 10, 6],
106
- [5, 10, 6, 1, 9, 2, 9, 11, 2, 9, 8, 11],
107
- [6, 3, 11, 6, 5, 3, 5, 1, 3],
108
- [0, 8, 11, 0, 11, 5, 0, 5, 1, 5, 11, 6],
109
- [3, 11, 6, 0, 3, 6, 0, 6, 5, 0, 5, 9],
110
- [6, 5, 9, 6, 9, 11, 11, 9, 8],
111
- [5, 10, 6, 4, 7, 8],
112
- [4, 3, 0, 4, 7, 3, 6, 5, 10],
113
- [1, 9, 0, 5, 10, 6, 8, 4, 7],
114
- [10, 6, 5, 1, 9, 7, 1, 7, 3, 7, 9, 4],
115
- [6, 1, 2, 6, 5, 1, 4, 7, 8],
116
- [1, 2, 5, 5, 2, 6, 3, 0, 4, 3, 4, 7],
117
- [8, 4, 7, 9, 0, 5, 0, 6, 5, 0, 2, 6],
118
- [7, 3, 9, 7, 9, 4, 3, 2, 9, 5, 9, 6, 2, 6, 9],
119
- [3, 11, 2, 7, 8, 4, 10, 6, 5],
120
- [5, 10, 6, 4, 7, 2, 4, 2, 0, 2, 7, 11],
121
- [0, 1, 9, 4, 7, 8, 2, 3, 11, 5, 10, 6],
122
- [9, 2, 1, 9, 11, 2, 9, 4, 11, 7, 11, 4, 5, 10, 6],
123
- [8, 4, 7, 3, 11, 5, 3, 5, 1, 5, 11, 6],
124
- [5, 1, 11, 5, 11, 6, 1, 0, 11, 7, 11, 4, 0, 4, 11],
125
- [0, 5, 9, 0, 6, 5, 0, 3, 6, 11, 6, 3, 8, 4, 7],
126
- [6, 5, 9, 6, 9, 11, 4, 7, 9, 7, 11, 9],
127
- [10, 4, 9, 6, 4, 10],
128
- [4, 10, 6, 4, 9, 10, 0, 8, 3],
129
- [10, 0, 1, 10, 6, 0, 6, 4, 0],
130
- [8, 3, 1, 8, 1, 6, 8, 6, 4, 6, 1, 10],
131
- [1, 4, 9, 1, 2, 4, 2, 6, 4],
132
- [3, 0, 8, 1, 2, 9, 2, 4, 9, 2, 6, 4],
133
- [0, 2, 4, 4, 2, 6],
134
- [8, 3, 2, 8, 2, 4, 4, 2, 6],
135
- [10, 4, 9, 10, 6, 4, 11, 2, 3],
136
- [0, 8, 2, 2, 8, 11, 4, 9, 10, 4, 10, 6],
137
- [3, 11, 2, 0, 1, 6, 0, 6, 4, 6, 1, 10],
138
- [6, 4, 1, 6, 1, 10, 4, 8, 1, 2, 1, 11, 8, 11, 1],
139
- [9, 6, 4, 9, 3, 6, 9, 1, 3, 11, 6, 3],
140
- [8, 11, 1, 8, 1, 0, 11, 6, 1, 9, 1, 4, 6, 4, 1],
141
- [3, 11, 6, 3, 6, 0, 0, 6, 4],
142
- [6, 4, 8, 11, 6, 8],
143
- [7, 10, 6, 7, 8, 10, 8, 9, 10],
144
- [0, 7, 3, 0, 10, 7, 0, 9, 10, 6, 7, 10],
145
- [10, 6, 7, 1, 10, 7, 1, 7, 8, 1, 8, 0],
146
- [10, 6, 7, 10, 7, 1, 1, 7, 3],
147
- [1, 2, 6, 1, 6, 8, 1, 8, 9, 8, 6, 7],
148
- [2, 6, 9, 2, 9, 1, 6, 7, 9, 0, 9, 3, 7, 3, 9],
149
- [7, 8, 0, 7, 0, 6, 6, 0, 2],
150
- [7, 3, 2, 6, 7, 2],
151
- [2, 3, 11, 10, 6, 8, 10, 8, 9, 8, 6, 7],
152
- [2, 0, 7, 2, 7, 11, 0, 9, 7, 6, 7, 10, 9, 10, 7],
153
- [1, 8, 0, 1, 7, 8, 1, 10, 7, 6, 7, 10, 2, 3, 11],
154
- [11, 2, 1, 11, 1, 7, 10, 6, 1, 6, 7, 1],
155
- [8, 9, 6, 8, 6, 7, 9, 1, 6, 11, 6, 3, 1, 3, 6],
156
- [0, 9, 1, 11, 6, 7],
157
- [7, 8, 0, 7, 0, 6, 3, 11, 0, 11, 6, 0],
158
- [7, 11, 6],
159
- [7, 6, 11],
160
- [3, 0, 8, 11, 7, 6],
161
- [0, 1, 9, 11, 7, 6],
162
- [8, 1, 9, 8, 3, 1, 11, 7, 6],
163
- [10, 1, 2, 6, 11, 7],
164
- [1, 2, 10, 3, 0, 8, 6, 11, 7],
165
- [2, 9, 0, 2, 10, 9, 6, 11, 7],
166
- [6, 11, 7, 2, 10, 3, 10, 8, 3, 10, 9, 8],
167
- [7, 2, 3, 6, 2, 7],
168
- [7, 0, 8, 7, 6, 0, 6, 2, 0],
169
- [2, 7, 6, 2, 3, 7, 0, 1, 9],
170
- [1, 6, 2, 1, 8, 6, 1, 9, 8, 8, 7, 6],
171
- [10, 7, 6, 10, 1, 7, 1, 3, 7],
172
- [10, 7, 6, 1, 7, 10, 1, 8, 7, 1, 0, 8],
173
- [0, 3, 7, 0, 7, 10, 0, 10, 9, 6, 10, 7],
174
- [7, 6, 10, 7, 10, 8, 8, 10, 9],
175
- [6, 8, 4, 11, 8, 6],
176
- [3, 6, 11, 3, 0, 6, 0, 4, 6],
177
- [8, 6, 11, 8, 4, 6, 9, 0, 1],
178
- [9, 4, 6, 9, 6, 3, 9, 3, 1, 11, 3, 6],
179
- [6, 8, 4, 6, 11, 8, 2, 10, 1],
180
- [1, 2, 10, 3, 0, 11, 0, 6, 11, 0, 4, 6],
181
- [4, 11, 8, 4, 6, 11, 0, 2, 9, 2, 10, 9],
182
- [10, 9, 3, 10, 3, 2, 9, 4, 3, 11, 3, 6, 4, 6, 3],
183
- [8, 2, 3, 8, 4, 2, 4, 6, 2],
184
- [0, 4, 2, 4, 6, 2],
185
- [1, 9, 0, 2, 3, 4, 2, 4, 6, 4, 3, 8],
186
- [1, 9, 4, 1, 4, 2, 2, 4, 6],
187
- [8, 1, 3, 8, 6, 1, 8, 4, 6, 6, 10, 1],
188
- [10, 1, 0, 10, 0, 6, 6, 0, 4],
189
- [4, 6, 3, 4, 3, 8, 6, 10, 3, 0, 3, 9, 10, 9, 3],
190
- [10, 9, 4, 6, 10, 4],
191
- [4, 9, 5, 7, 6, 11],
192
- [0, 8, 3, 4, 9, 5, 11, 7, 6],
193
- [5, 0, 1, 5, 4, 0, 7, 6, 11],
194
- [11, 7, 6, 8, 3, 4, 3, 5, 4, 3, 1, 5],
195
- [9, 5, 4, 10, 1, 2, 7, 6, 11],
196
- [6, 11, 7, 1, 2, 10, 0, 8, 3, 4, 9, 5],
197
- [7, 6, 11, 5, 4, 10, 4, 2, 10, 4, 0, 2],
198
- [3, 4, 8, 3, 5, 4, 3, 2, 5, 10, 5, 2, 11, 7, 6],
199
- [7, 2, 3, 7, 6, 2, 5, 4, 9],
200
- [9, 5, 4, 0, 8, 6, 0, 6, 2, 6, 8, 7],
201
- [3, 6, 2, 3, 7, 6, 1, 5, 0, 5, 4, 0],
202
- [6, 2, 8, 6, 8, 7, 2, 1, 8, 4, 8, 5, 1, 5, 8],
203
- [9, 5, 4, 10, 1, 6, 1, 7, 6, 1, 3, 7],
204
- [1, 6, 10, 1, 7, 6, 1, 0, 7, 8, 7, 0, 9, 5, 4],
205
- [4, 0, 10, 4, 10, 5, 0, 3, 10, 6, 10, 7, 3, 7, 10],
206
- [7, 6, 10, 7, 10, 8, 5, 4, 10, 4, 8, 10],
207
- [6, 9, 5, 6, 11, 9, 11, 8, 9],
208
- [3, 6, 11, 0, 6, 3, 0, 5, 6, 0, 9, 5],
209
- [0, 11, 8, 0, 5, 11, 0, 1, 5, 5, 6, 11],
210
- [6, 11, 3, 6, 3, 5, 5, 3, 1],
211
- [1, 2, 10, 9, 5, 11, 9, 11, 8, 11, 5, 6],
212
- [0, 11, 3, 0, 6, 11, 0, 9, 6, 5, 6, 9, 1, 2, 10],
213
- [11, 8, 5, 11, 5, 6, 8, 0, 5, 10, 5, 2, 0, 2, 5],
214
- [6, 11, 3, 6, 3, 5, 2, 10, 3, 10, 5, 3],
215
- [5, 8, 9, 5, 2, 8, 5, 6, 2, 3, 8, 2],
216
- [9, 5, 6, 9, 6, 0, 0, 6, 2],
217
- [1, 5, 8, 1, 8, 0, 5, 6, 8, 3, 8, 2, 6, 2, 8],
218
- [1, 5, 6, 2, 1, 6],
219
- [1, 3, 6, 1, 6, 10, 3, 8, 6, 5, 6, 9, 8, 9, 6],
220
- [10, 1, 0, 10, 0, 6, 9, 5, 0, 5, 6, 0],
221
- [0, 3, 8, 5, 6, 10],
222
- [10, 5, 6],
223
- [11, 5, 10, 7, 5, 11],
224
- [11, 5, 10, 11, 7, 5, 8, 3, 0],
225
- [5, 11, 7, 5, 10, 11, 1, 9, 0],
226
- [10, 7, 5, 10, 11, 7, 9, 8, 1, 8, 3, 1],
227
- [11, 1, 2, 11, 7, 1, 7, 5, 1],
228
- [0, 8, 3, 1, 2, 7, 1, 7, 5, 7, 2, 11],
229
- [9, 7, 5, 9, 2, 7, 9, 0, 2, 2, 11, 7],
230
- [7, 5, 2, 7, 2, 11, 5, 9, 2, 3, 2, 8, 9, 8, 2],
231
- [2, 5, 10, 2, 3, 5, 3, 7, 5],
232
- [8, 2, 0, 8, 5, 2, 8, 7, 5, 10, 2, 5],
233
- [9, 0, 1, 5, 10, 3, 5, 3, 7, 3, 10, 2],
234
- [9, 8, 2, 9, 2, 1, 8, 7, 2, 10, 2, 5, 7, 5, 2],
235
- [1, 3, 5, 3, 7, 5],
236
- [0, 8, 7, 0, 7, 1, 1, 7, 5],
237
- [9, 0, 3, 9, 3, 5, 5, 3, 7],
238
- [9, 8, 7, 5, 9, 7],
239
- [5, 8, 4, 5, 10, 8, 10, 11, 8],
240
- [5, 0, 4, 5, 11, 0, 5, 10, 11, 11, 3, 0],
241
- [0, 1, 9, 8, 4, 10, 8, 10, 11, 10, 4, 5],
242
- [10, 11, 4, 10, 4, 5, 11, 3, 4, 9, 4, 1, 3, 1, 4],
243
- [2, 5, 1, 2, 8, 5, 2, 11, 8, 4, 5, 8],
244
- [0, 4, 11, 0, 11, 3, 4, 5, 11, 2, 11, 1, 5, 1, 11],
245
- [0, 2, 5, 0, 5, 9, 2, 11, 5, 4, 5, 8, 11, 8, 5],
246
- [9, 4, 5, 2, 11, 3],
247
- [2, 5, 10, 3, 5, 2, 3, 4, 5, 3, 8, 4],
248
- [5, 10, 2, 5, 2, 4, 4, 2, 0],
249
- [3, 10, 2, 3, 5, 10, 3, 8, 5, 4, 5, 8, 0, 1, 9],
250
- [5, 10, 2, 5, 2, 4, 1, 9, 2, 9, 4, 2],
251
- [8, 4, 5, 8, 5, 3, 3, 5, 1],
252
- [0, 4, 5, 1, 0, 5],
253
- [8, 4, 5, 8, 5, 3, 9, 0, 5, 0, 3, 5],
254
- [9, 4, 5],
255
- [4, 11, 7, 4, 9, 11, 9, 10, 11],
256
- [0, 8, 3, 4, 9, 7, 9, 11, 7, 9, 10, 11],
257
- [1, 10, 11, 1, 11, 4, 1, 4, 0, 7, 4, 11],
258
- [3, 1, 4, 3, 4, 8, 1, 10, 4, 7, 4, 11, 10, 11, 4],
259
- [4, 11, 7, 9, 11, 4, 9, 2, 11, 9, 1, 2],
260
- [9, 7, 4, 9, 11, 7, 9, 1, 11, 2, 11, 1, 0, 8, 3],
261
- [11, 7, 4, 11, 4, 2, 2, 4, 0],
262
- [11, 7, 4, 11, 4, 2, 8, 3, 4, 3, 2, 4],
263
- [2, 9, 10, 2, 7, 9, 2, 3, 7, 7, 4, 9],
264
- [9, 10, 7, 9, 7, 4, 10, 2, 7, 8, 7, 0, 2, 0, 7],
265
- [3, 7, 10, 3, 10, 2, 7, 4, 10, 1, 10, 0, 4, 0, 10],
266
- [1, 10, 2, 8, 7, 4],
267
- [4, 9, 1, 4, 1, 7, 7, 1, 3],
268
- [4, 9, 1, 4, 1, 7, 0, 8, 1, 8, 7, 1],
269
- [4, 0, 3, 7, 4, 3],
270
- [4, 8, 7],
271
- [9, 10, 8, 10, 11, 8],
272
- [3, 0, 9, 3, 9, 11, 11, 9, 10],
273
- [0, 1, 10, 0, 10, 8, 8, 10, 11],
274
- [3, 1, 10, 11, 3, 10],
275
- [1, 2, 11, 1, 11, 9, 9, 11, 8],
276
- [3, 0, 9, 3, 9, 11, 1, 2, 9, 2, 11, 9],
277
- [0, 2, 11, 8, 0, 11],
278
- [3, 2, 11],
279
- [2, 3, 8, 2, 8, 10, 10, 8, 9],
280
- [9, 10, 2, 0, 9, 2],
281
- [2, 3, 8, 2, 8, 10, 0, 1, 8, 1, 10, 8],
282
- [1, 10, 2],
283
- [1, 3, 8, 9, 1, 8],
284
- [0, 9, 1],
285
- [0, 3, 8],
286
- [],
287
- ];
288
- // Vertex positions for the 8 corners of a unit cube - flat arrays for speed
289
- // Format: [x0,y0,z0, x1,y1,z1, ...] - access as CUBE_VERTS_X[i], etc.
290
- const CUBE_VERTS_X = new Int8Array([0, 1, 1, 0, 0, 1, 1, 0]);
291
- const CUBE_VERTS_Y = new Int8Array([0, 0, 1, 1, 0, 0, 1, 1]);
292
- const CUBE_VERTS_Z = new Int8Array([0, 0, 0, 0, 1, 1, 1, 1]);
293
- // Edge definitions: pairs of vertex indices for each of 12 edges
294
- // Flattened for direct access: edge i has vertices EDGE_V1[i] and EDGE_V2[i]
295
- const EDGE_V1 = new Uint8Array([0, 1, 2, 3, 4, 5, 6, 7, 0, 1, 2, 3]);
296
- const EDGE_V2 = new Uint8Array([1, 2, 3, 0, 5, 6, 7, 4, 4, 5, 6, 7]);
297
- // Compute gradient (normal) at a grid point using central differences
298
- function compute_gradient(grid, ix, iy, iz, nx, ny, nz, periodic) {
299
- // Wrap for periodic, clamp for non-periodic boundaries
300
- const wrap = (val, dim) => ((val % dim) + dim) % dim;
301
- const clamp = (val, max) => Math.max(0, Math.min(val, max));
302
- const [ix_w, iy_w, iz_w] = periodic
303
- ? [wrap(ix, nx), wrap(iy, ny), wrap(iz, nz)]
304
- : [clamp(ix, nx - 1), clamp(iy, ny - 1), clamp(iz, nz - 1)];
305
- const [ix_m, ix_p] = periodic
306
- ? [wrap(ix - 1, nx), wrap(ix + 1, nx)]
307
- : [Math.max(0, ix - 1), Math.min(nx - 1, ix + 1)];
308
- const [iy_m, iy_p] = periodic
309
- ? [wrap(iy - 1, ny), wrap(iy + 1, ny)]
310
- : [Math.max(0, iy - 1), Math.min(ny - 1, iy + 1)];
311
- const [iz_m, iz_p] = periodic
312
- ? [wrap(iz - 1, nz), wrap(iz + 1, nz)]
313
- : [Math.max(0, iz - 1), Math.min(nz - 1, iz + 1)];
314
- const dx = (grid[ix_p][iy_w][iz_w] - grid[ix_m][iy_w][iz_w]) * 0.5;
315
- const dy = (grid[ix_w][iy_p][iz_w] - grid[ix_w][iy_m][iz_w]) * 0.5;
316
- const dz = (grid[ix_w][iy_w][iz_p] - grid[ix_w][iy_w][iz_m]) * 0.5;
317
- const len_sq = dx * dx + dy * dy + dz * dz;
318
- if (len_sq < 1e-20)
319
- return [0, 0, 1];
320
- const inv_len = 1 / Math.sqrt(len_sq);
321
- return [-dx * inv_len, -dy * inv_len, -dz * inv_len];
322
- }
323
- // Main marching cubes algorithm (optimized version)
324
- export function marching_cubes(grid, iso_value, k_lattice, options = {}) {
325
- const { periodic = true, interpolate = true, centered = true, normals: compute_norms = true, } = options;
326
- // When centered=true, shift fractional coordinates by -0.5 so the grid is
327
- // centered at the origin (Γ point). This is needed for proper BZ visualization.
328
- const center_offset = centered ? 0.5 : 0;
329
- const nx = grid.length;
330
- const ny = grid[0]?.length || 0;
331
- const nz = grid[0]?.[0]?.length || 0;
332
- if (nx < 2 || ny < 2 || nz < 2) {
333
- return { vertices: [], faces: [], normals: [] };
334
- }
335
- const vertices = [];
336
- const faces = [];
337
- const normals = [];
338
- // Precompute grid dimension products for flattening and cache keys
339
- const ny_nz = ny * nz;
340
- const max_flat = nx * ny_nz; // for computing cache keys
341
- // Use numeric cache key - safe for grids up to ~300³ (2^53 / 2 / max_flat)
342
- // For much larger grids (>30M cells), consider switching to Map<string, number>
343
- // with keys like `${flat1},${flat2}` or Map<bigint, number> to avoid
344
- // Number.MAX_SAFE_INTEGER limits. The current approach is faster for typical grids.
345
- if (max_flat > 30_000_000) {
346
- console.warn(`Grid size ${nx}×${ny}×${nz} may cause cache key overflow`);
347
- }
348
- const vertex_cache = new Map();
349
- // Safe modulo wrapping helper (handles negative values correctly)
350
- const wrap = (val, size) => ((val % size) + size) % size;
351
- // Precompute k_lattice values for faster coordinate transform
352
- const [kx0, kx1, kx2] = k_lattice[0];
353
- const [ky0, ky1, ky2] = k_lattice[1];
354
- const [kz0, kz1, kz2] = k_lattice[2];
355
- // Precompute inverse grid sizes for fractional coordinate conversion.
356
- // Non-periodic grids: n points span [0,1] with spacing 1/(n-1) — endpoints at 0 and 1.
357
- // Periodic grids: n points span [0,1) with spacing 1/n — point n wraps back to 0.
358
- const inv_nx = 1 / (periodic ? nx : nx - 1);
359
- const inv_ny = 1 / (periodic ? ny : ny - 1);
360
- const inv_nz = 1 / (periodic ? nz : nz - 1);
361
- // Get or create vertex on an edge (fully optimized with flat array lookups)
362
- const get_vertex_on_edge = (ix, iy, iz, edge_idx, cube_values) => {
363
- // Use flat arrays instead of destructuring
364
- const v1_idx = EDGE_V1[edge_idx];
365
- const v2_idx = EDGE_V2[edge_idx];
366
- const ox1 = CUBE_VERTS_X[v1_idx];
367
- const oy1 = CUBE_VERTS_Y[v1_idx];
368
- const oz1 = CUBE_VERTS_Z[v1_idx];
369
- const ox2 = CUBE_VERTS_X[v2_idx];
370
- const oy2 = CUBE_VERTS_Y[v2_idx];
371
- const oz2 = CUBE_VERTS_Z[v2_idx];
372
- // Compute wrapped grid positions using safe modulo for periodic boundaries
373
- const g1x = periodic ? wrap(ix + ox1, nx) : ix + ox1;
374
- const g1y = periodic ? wrap(iy + oy1, ny) : iy + oy1;
375
- const g1z = periodic ? wrap(iz + oz1, nz) : iz + oz1;
376
- const g2x = periodic ? wrap(ix + ox2, nx) : ix + ox2;
377
- const g2y = periodic ? wrap(iy + oy2, ny) : iy + oy2;
378
- const g2z = periodic ? wrap(iz + oz2, nz) : iz + oz2;
379
- // Create numeric cache key (sorted for consistency)
380
- // Safe for grids up to ~300³ before exceeding Number.MAX_SAFE_INTEGER
381
- const flat1 = g1x * ny_nz + g1y * nz + g1z;
382
- const flat2 = g2x * ny_nz + g2y * nz + g2z;
383
- const cache_key = flat1 < flat2 ? flat1 * max_flat + flat2 : flat2 * max_flat + flat1;
384
- const cached = vertex_cache.get(cache_key);
385
- if (cached !== undefined)
386
- return cached;
387
- // Compute vertex position
388
- const v1 = cube_values[v1_idx];
389
- const v2 = cube_values[v2_idx];
390
- let fx, fy, fz;
391
- if (interpolate) {
392
- const f1x = (ix + ox1) * inv_nx - center_offset;
393
- const f1y = (iy + oy1) * inv_ny - center_offset;
394
- const f1z = (iz + oz1) * inv_nz - center_offset;
395
- const f2x = (ix + ox2) * inv_nx - center_offset;
396
- const f2y = (iy + oy2) * inv_ny - center_offset;
397
- const f2z = (iz + oz2) * inv_nz - center_offset;
398
- const dv = v2 - v1;
399
- if (Math.abs(dv) < 1e-10) {
400
- fx = f1x;
401
- fy = f1y;
402
- fz = f1z;
403
- }
404
- else {
405
- const lerp = (iso_value - v1) / dv;
406
- fx = f1x + lerp * (f2x - f1x);
407
- fy = f1y + lerp * (f2y - f1y);
408
- fz = f1z + lerp * (f2z - f1z);
409
- }
410
- }
411
- else {
412
- fx = (ix + (ox1 + ox2) * 0.5) * inv_nx - center_offset;
413
- fy = (iy + (oy1 + oy2) * 0.5) * inv_ny - center_offset;
414
- fz = (iz + (oz1 + oz2) * 0.5) * inv_nz - center_offset;
415
- }
416
- // Transform to Cartesian (inlined)
417
- const vert_idx = vertices.length;
418
- vertices.push([
419
- fx * kx0 + fy * ky0 + fz * kz0,
420
- fx * kx1 + fy * ky1 + fz * kz1,
421
- fx * kx2 + fy * ky2 + fz * kz2,
422
- ]);
423
- // Compute normal from grid gradient (skip if caller will compute from geometry)
424
- if (compute_norms) {
425
- normals.push(compute_gradient(grid, ix + ox1, iy + oy1, iz + oz1, nx, ny, nz, periodic));
426
- }
427
- vertex_cache.set(cache_key, vert_idx);
428
- return vert_idx;
429
- };
430
- // Iterate over all cubes in the grid
431
- const max_x = periodic ? nx : nx - 1;
432
- const max_y = periodic ? ny : ny - 1;
433
- const max_z = periodic ? nz : nz - 1;
434
- // Preallocate cube_values array (reuse across iterations)
435
- const cube_values = new Array(8);
436
- for (let ix = 0; ix < max_x; ix++) {
437
- const ix_row = grid[ix];
438
- const ix1_row = grid[(ix + 1) % nx];
439
- for (let iy = 0; iy < max_y; iy++) {
440
- const iy_col = ix_row[iy];
441
- const iy1_col = ix_row[(iy + 1) % ny];
442
- const ix1_iy_col = ix1_row[iy];
443
- const ix1_iy1_col = ix1_row[(iy + 1) % ny];
444
- for (let iz = 0; iz < max_z; iz++) {
445
- const iz1 = (iz + 1) % nz;
446
- // Get corner values (inlined for speed)
447
- cube_values[0] = iy_col[iz];
448
- cube_values[1] = ix1_iy_col[iz];
449
- cube_values[2] = ix1_iy1_col[iz];
450
- cube_values[3] = iy1_col[iz];
451
- cube_values[4] = iy_col[iz1];
452
- cube_values[5] = ix1_iy_col[iz1];
453
- cube_values[6] = ix1_iy1_col[iz1];
454
- cube_values[7] = iy1_col[iz1];
455
- // Compute cube index (unrolled for speed)
456
- let cube_index = 0;
457
- if (cube_values[0] < iso_value)
458
- cube_index |= 1;
459
- if (cube_values[1] < iso_value)
460
- cube_index |= 2;
461
- if (cube_values[2] < iso_value)
462
- cube_index |= 4;
463
- if (cube_values[3] < iso_value)
464
- cube_index |= 8;
465
- if (cube_values[4] < iso_value)
466
- cube_index |= 16;
467
- if (cube_values[5] < iso_value)
468
- cube_index |= 32;
469
- if (cube_values[6] < iso_value)
470
- cube_index |= 64;
471
- if (cube_values[7] < iso_value)
472
- cube_index |= 128;
473
- // Skip if cube is entirely inside or outside
474
- if (EDGE_TABLE[cube_index] === 0)
475
- continue;
476
- // Get triangles for this cube configuration
477
- const tri_list = TRI_TABLE[cube_index];
478
- const tri_len = tri_list.length;
479
- // Create triangles
480
- for (let tri_idx = 0; tri_idx < tri_len; tri_idx += 3) {
481
- const v0 = get_vertex_on_edge(ix, iy, iz, tri_list[tri_idx], cube_values);
482
- const v1 = get_vertex_on_edge(ix, iy, iz, tri_list[tri_idx + 1], cube_values);
483
- const v2 = get_vertex_on_edge(ix, iy, iz, tri_list[tri_idx + 2], cube_values);
484
- // Skip degenerate triangles
485
- if (v0 !== v1 && v1 !== v2 && v0 !== v2) {
486
- faces.push([v0, v1, v2]);
487
- }
488
- }
489
- }
490
- }
491
- }
492
- return { vertices, faces, normals };
493
- }
494
- // Compute per-vertex normals from faces using area-weighted averaging
495
- // Uses fan triangulation for N-gon faces (quads, etc.)
496
- export function compute_vertex_normals(vertices, faces) {
497
- const normals = vertices.map(() => [0, 0, 0]);
498
- for (const face of faces) {
499
- // Validate face has at least 3 indices and all are within bounds
500
- if (face.length < 3)
501
- continue;
502
- if (face.some((idx) => idx < 0 || idx >= vertices.length))
503
- continue;
504
- // Fan triangulation: for N vertices, process N-2 triangles (0,1,2), (0,2,3), ...
505
- const v0 = vertices[face[0]];
506
- for (let fan_idx = 1; fan_idx < face.length - 1; fan_idx++) {
507
- const idx1 = face[fan_idx];
508
- const idx2 = face[fan_idx + 1];
509
- const v1 = vertices[idx1];
510
- const v2 = vertices[idx2];
511
- // Edge vectors
512
- const e1 = [v1[0] - v0[0], v1[1] - v0[1], v1[2] - v0[2]];
513
- const e2 = [v2[0] - v0[0], v2[1] - v0[1], v2[2] - v0[2]];
514
- // Cross product (face normal * 2 * area)
515
- const normal = [
516
- e1[1] * e2[2] - e1[2] * e2[1],
517
- e1[2] * e2[0] - e1[0] * e2[2],
518
- e1[0] * e2[1] - e1[1] * e2[0],
519
- ];
520
- // Add to the 3 vertices of this triangle
521
- normals[face[0]][0] += normal[0];
522
- normals[face[0]][1] += normal[1];
523
- normals[face[0]][2] += normal[2];
524
- normals[idx1][0] += normal[0];
525
- normals[idx1][1] += normal[1];
526
- normals[idx1][2] += normal[2];
527
- normals[idx2][0] += normal[0];
528
- normals[idx2][1] += normal[1];
529
- normals[idx2][2] += normal[2];
530
- }
531
- }
532
- // Normalize all normals
533
- for (const normal of normals) {
534
- const len = Math.hypot(normal[0], normal[1], normal[2]);
535
- if (len > 0) {
536
- normal[0] /= len;
537
- normal[1] /= len;
538
- normal[2] /= len;
539
- }
540
- }
541
- return normals;
542
- }
package/dist/math.d.ts DELETED
@@ -1,91 +0,0 @@
1
- import type { LatticeParams, Pbc } from './structure/index';
2
- export type Vec2 = [number, number];
3
- export type Vec3 = [number, number, number];
4
- export type Vec4 = [number, number, number, number];
5
- export type Vec9 = [number, number, number, number, number, number, number, number, number];
6
- export type Matrix3x3 = [Vec3, Vec3, Vec3];
7
- export type Matrix4x4 = [Vec4, Vec4, Vec4, Vec4];
8
- export type NdVector = number[];
9
- export type Matrix4Tuple = [
10
- number,
11
- number,
12
- number,
13
- number,
14
- number,
15
- number,
16
- number,
17
- number,
18
- number,
19
- number,
20
- number,
21
- number,
22
- number,
23
- number,
24
- number,
25
- number
26
- ];
27
- export declare function combinations<T>(arr: T[], k: number): T[][];
28
- export declare const LOG_EPS = 1e-9;
29
- export declare const EPS = 1e-10;
30
- export declare const RAD_TO_DEG: number;
31
- export declare const DEG_TO_RAD: number;
32
- export declare const to_degrees: (radians: number) => number;
33
- export declare const to_radians: (degrees: number) => number;
34
- export declare function calc_lattice_params(matrix: Matrix3x3): LatticeParams & {
35
- volume: number;
36
- };
37
- export declare const scale: <T extends NdVector>(vec: T, factor: number) => T;
38
- export declare const euclidean_dist: (vec1: NdVector, vec2: NdVector) => number;
39
- export declare function min_image_displacement(from: Vec3, to: Vec3, lattice_matrix: Matrix3x3, converters?: LatticeConverters, pbc?: Pbc): Vec3;
40
- export declare function pbc_dist(pos1: Vec3, pos2: Vec3, lattice_matrix: Matrix3x3, converters?: LatticeConverters, pbc?: Pbc): number;
41
- export declare function matrix_inverse_3x3(matrix: Matrix3x3): Matrix3x3;
42
- export declare function mat3x3_vec3_multiply(matrix: Matrix3x3, vector: Vec3): Vec3;
43
- export declare function add<T extends NdVector>(...vecs: T[]): T;
44
- export declare function subtract<T extends NdVector>(vec1: T, vec2: T): T;
45
- export declare function dot(vec1: NdVector, vec2: NdVector): number;
46
- export declare function dot(vec1: NdVector[], vec2: NdVector): number[];
47
- export declare function dot(vec1: NdVector[], vec2: NdVector[]): number[][];
48
- export declare function to_voigt(tensor: number[][]): number[];
49
- export declare function from_voigt(voigt: number[]): number[][];
50
- export declare function vec9_to_mat3x3(flat_array: number[]): number[][];
51
- export declare function tensor_to_flat_array(tensor: number[][]): number[];
52
- export declare const transpose_3x3_matrix: (matrix: Matrix3x3) => Matrix3x3;
53
- export declare function scale_lattice_matrix(orig_matrix: Matrix3x3, scaling_factors: Vec3): Matrix3x3;
54
- export declare const create_frac_to_cart: (lattice: Matrix3x3) => (frac: Vec3) => Vec3;
55
- export declare const create_cart_to_frac: (lattice: Matrix3x3) => (cart: Vec3) => Vec3;
56
- export type LatticeConverters = {
57
- cart_to_frac: (v: Vec3) => Vec3;
58
- frac_to_cart: (v: Vec3) => Vec3;
59
- reciprocal_axis_norms: Vec3;
60
- };
61
- export declare const create_lattice_converters: (lattice: Matrix3x3) => LatticeConverters;
62
- export declare function cell_to_lattice_matrix(a: number, b: number, c: number, alpha: number, beta: number, gamma: number): Matrix3x3;
63
- export declare function det_3x3(matrix: Matrix3x3): number;
64
- export declare function get_coefficient_of_variation(values: number[]): number;
65
- export declare function det_4x4(matrix: Matrix4x4): number;
66
- export declare function det_nxn(matrix: number[][]): number;
67
- export declare const cross_3d: (vec1: Vec3, vec2: Vec3) => Vec3;
68
- export declare const lerp: (start: number, end: number, t: number) => number;
69
- export declare const lerp_vec3: (start: Vec3, end: Vec3, t: number) => Vec3;
70
- export declare const centered_frac: (val: number) => number;
71
- export declare const vecs_equal: (vec_a?: Vec3, vec_b?: Vec3) => boolean;
72
- export declare function normalize_vec3(vec: Vec3, fallback?: Vec3): Vec3;
73
- export declare function compute_in_plane_basis(normal: Vec3): [Vec3, Vec3];
74
- export declare function are_coplanar(points: number[][], tolerance?: number): boolean;
75
- export declare function merge_coplanar_triangles(positions: Float32Array, tolerance?: number): Float32Array;
76
- export declare function compute_bounding_box(vertices: Vec3[]): {
77
- min: Vec3;
78
- max: Vec3;
79
- };
80
- export declare function is_square_matrix(matrix: unknown, dim: number): boolean;
81
- export declare function point_in_polygon(point_x: number, point_y: number, vertices: Vec2[]): boolean;
82
- export declare function compute_bounding_box_2d(vertices: Vec2[]): {
83
- min: Vec2;
84
- max: Vec2;
85
- width: number;
86
- height: number;
87
- };
88
- export declare function polygon_centroid(vertices: Vec2[]): Vec2;
89
- export declare function solve_linear_system(A: number[][], // NxN coefficient matrix
90
- b: number[]): number[] | null;
91
- export declare function convex_hull_2d(points: Vec2[]): Vec2[];