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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@@ -1,597 +0,0 @@
1
- <script lang="ts">
2
- import type { BrillouinZoneData } from '../brillouin'
3
- import { compute_brillouin_zone, reciprocal_lattice } from '../brillouin'
4
- import type { ShowControlsProp } from '../controls'
5
- import { normalize_show_controls } from '../controls'
6
- import EmptyState from '../EmptyState.svelte'
7
- import { StatusMessage } from '../feedback'
8
- import Spinner from '../feedback/Spinner.svelte'
9
- import Icon from '../Icon.svelte'
10
- import { create_file_drop_handler, load_from_url } from '../io'
11
- import { set_fullscreen_bg, toggle_fullscreen } from '../layout'
12
- import { PlotTooltip } from '../plot'
13
- import type { CameraProjection } from '../settings'
14
- import { DEFAULTS } from '../settings'
15
- import type { Crystal } from '../structure'
16
- import { Canvas } from '@threlte/core'
17
- import type { ComponentProps, Snippet } from 'svelte'
18
- import { untrack } from 'svelte'
19
- import { tooltip } from 'svelte-multiselect/attachments'
20
- import type { HTMLAttributes } from 'svelte/elements'
21
- import type { Camera, Scene } from 'three'
22
- import { detect_irreducible_bz, extract_fermi_surface } from './compute'
23
- import FermiSurfaceControls from './FermiSurfaceControls.svelte'
24
- import FermiSurfaceScene from './FermiSurfaceScene.svelte'
25
- import FermiSurfaceTooltip from './FermiSurfaceTooltip.svelte'
26
- import { parse_fermi_file } from './parse'
27
- import type {
28
- BandGridData,
29
- ColorProperty,
30
- FermiErrorData,
31
- FermiFileLoadData,
32
- FermiHoverData,
33
- FermiSurfaceData,
34
- FermiTooltipConfig,
35
- RepresentationMode,
36
- } from './types'
37
-
38
- type FermiHandlerData = {
39
- fermi_data?: FermiSurfaceData
40
- band_data?: BandGridData
41
- bz_data?: BrillouinZoneData
42
- filename?: string
43
- file_size?: number
44
- error_msg?: string
45
- fullscreen?: boolean
46
- }
47
-
48
- let {
49
- fermi_data = $bindable(),
50
- band_data = $bindable(),
51
- structure,
52
- bz_data = $bindable(),
53
- mu = $bindable(0),
54
- controls_open = $bindable(false),
55
- color_property = $bindable(`band`),
56
- color_scale = $bindable(`interpolateViridis`),
57
- custom_property_label,
58
- representation = $bindable(`solid`),
59
- surface_opacity = $bindable(0.8),
60
- selected_bands = $bindable(),
61
- show_bz = $bindable(true),
62
- bz_opacity = $bindable(0.1),
63
- show_vectors = $bindable(true),
64
- tile_bz = $bindable(false),
65
- // Clipping plane
66
- clip_enabled = $bindable(false),
67
- clip_axis = $bindable(`z`),
68
- clip_position = $bindable(0),
69
- clip_flip = $bindable(false),
70
- // Interpolation
71
- interpolation_factor = $bindable(1),
72
- camera_projection = $bindable(`perspective`),
73
- show_controls,
74
- fullscreen = $bindable(false),
75
- wrapper = $bindable(),
76
- width = $bindable(0),
77
- height = $bindable(0),
78
- hovered = $bindable(false),
79
- dragover = $bindable(false),
80
- allow_file_drop = true,
81
- fullscreen_toggle = DEFAULTS.structure.fullscreen_toggle,
82
- data_url,
83
- spinner_props = {},
84
- loading = $bindable(false),
85
- error_msg = $bindable(),
86
- children,
87
- tooltip_config,
88
- on_file_drop,
89
- on_file_load,
90
- on_error,
91
- on_fullscreen_change,
92
- on_mu_change,
93
- on_hover,
94
- ...rest
95
- }: {
96
- fermi_data?: FermiSurfaceData
97
- band_data?: BandGridData
98
- structure?: Crystal
99
- bz_data?: BrillouinZoneData
100
- mu?: number
101
- controls_open?: boolean
102
- color_property?: ColorProperty
103
- color_scale?: string
104
- // Label for custom property coloring (e.g. "λ(k)", "DOS", etc.)
105
- custom_property_label?: string
106
- representation?: RepresentationMode
107
- surface_opacity?: number
108
- selected_bands?: number[]
109
- show_bz?: boolean
110
- bz_opacity?: number
111
- show_vectors?: boolean
112
- tile_bz?: boolean
113
- clip_enabled?: boolean
114
- clip_axis?: `x` | `y` | `z`
115
- clip_position?: number
116
- clip_flip?: boolean
117
- interpolation_factor?: number
118
- camera_projection?: CameraProjection
119
- /**
120
- * Controls visibility configuration.
121
- * - 'always': controls always visible
122
- * - 'hover': controls visible on component hover (default)
123
- * - 'never': controls never visible
124
- * - object: { mode, hidden, style } for fine-grained control
125
- *
126
- * Control names: 'filename', 'fullscreen', 'controls'
127
- */
128
- show_controls?: ShowControlsProp
129
- fullscreen?: boolean
130
- width?: number
131
- height?: number
132
- wrapper?: HTMLDivElement
133
- hovered?: boolean
134
- dragover?: boolean
135
- allow_file_drop?: boolean
136
- fullscreen_toggle?: Snippet<[{ fullscreen: boolean }]> | boolean
137
- data_url?: string
138
- spinner_props?: ComponentProps<typeof Spinner>
139
- loading?: boolean
140
- error_msg?: string
141
- children?: Snippet<
142
- [{ fermi_data?: FermiSurfaceData; bz_data?: BrillouinZoneData }]
143
- >
144
- on_file_drop?: (filename: string) => void
145
- on_file_load?: (data: FermiFileLoadData) => void
146
- on_error?: (data: FermiErrorData) => void
147
- on_fullscreen_change?: (data: FermiHandlerData) => void
148
- on_mu_change?: (mu: number) => void
149
- tooltip_config?: Snippet<[{ hover_data: FermiHoverData }]> | FermiTooltipConfig
150
- on_hover?: (data: FermiHoverData | null) => void
151
- } & HTMLAttributes<HTMLDivElement> = $props()
152
-
153
- let scene = $state<Scene | undefined>(undefined)
154
- let camera = $state<Camera | undefined>(undefined)
155
- let current_filename = $state<string | undefined>(undefined)
156
- let recompute_job_id = 0 // monotonic counter to track latest recompute call
157
- let hover_data = $state<FermiHoverData | null>(null)
158
-
159
- // Call on_hover callback when hover_data changes
160
- $effect(() => {
161
- on_hover?.(hover_data)
162
- })
163
-
164
- let controls_config = $derived(normalize_show_controls(show_controls))
165
-
166
- // Yield to browser so spinner can render before heavy computation
167
- const tick = () =>
168
- new Promise<void>((r) =>
169
- requestAnimationFrame(() => requestAnimationFrame(() => r()))
170
- )
171
-
172
- // Parse and load Fermi surface from content (async for UI responsiveness)
173
- async function parse_fermi_content(
174
- content: string | ArrayBuffer,
175
- filename: string,
176
- ) {
177
- const text = content instanceof ArrayBuffer
178
- ? new TextDecoder().decode(content)
179
- : content
180
-
181
- const parsed = parse_fermi_file(text, filename)
182
- if (!parsed) throw new Error(`Failed to parse Fermi surface from ${filename}`)
183
-
184
- const file_size = new Blob([content]).size
185
- current_filename = filename
186
-
187
- // Check if it's already FermiSurfaceData or BandGridData
188
- if (`isosurfaces` in parsed) {
189
- fermi_data = parsed as FermiSurfaceData
190
- band_data = undefined
191
- } else {
192
- band_data = parsed as BandGridData
193
- fermi_data = extract_fermi_surface(band_data, { mu, wigner_seitz: true })
194
- }
195
-
196
- on_file_load?.({ fermi_data, band_data, filename, file_size })
197
- }
198
-
199
- // Load with error handling
200
- async function safe_parse(content: string | ArrayBuffer, filename: string) {
201
- try {
202
- await parse_fermi_content(content, filename)
203
- } catch (err) {
204
- error_msg = `Failed to parse ${filename}: ${
205
- err instanceof Error ? err.message : err
206
- }`
207
- on_error?.({ error_msg, filename })
208
- }
209
- }
210
-
211
- // Re-extract Fermi surface from band data with current settings
212
- async function recompute_fermi_surface() {
213
- if (!band_data) return
214
- const job_id = ++recompute_job_id // capture this job's ID
215
- await tick() // yield to check for newer jobs before committing to work
216
- // Check if this job is still the latest before proceeding
217
- // If stale, return without setting loading - the superseding job handles it
218
- if (job_id !== recompute_job_id) return
219
- // Only set loading after stale check to avoid orphaned loading states
220
- loading = true
221
- try {
222
- const result = extract_fermi_surface(band_data, {
223
- mu,
224
- wigner_seitz: true,
225
- interpolation_factor,
226
- })
227
- // Only update state if this is still the latest job
228
- if (job_id === recompute_job_id) {
229
- fermi_data = result
230
- }
231
- } catch (err) {
232
- console.error(`Failed to re-extract Fermi surface:`, err)
233
- } finally {
234
- // Only clear loading if this is still the latest job
235
- if (job_id === recompute_job_id) loading = false
236
- }
237
- }
238
-
239
- // Debounce recompute to avoid excessive re-computation during rapid slider drags
240
- let recompute_timeout: ReturnType<typeof setTimeout>
241
-
242
- function handle_mu_change(new_mu: number) {
243
- mu = new_mu
244
- clearTimeout(recompute_timeout)
245
- recompute_timeout = setTimeout(() => void recompute_fermi_surface(), 150)
246
- on_mu_change?.(new_mu)
247
- }
248
-
249
- function handle_interpolation_change(new_factor: number) {
250
- interpolation_factor = new_factor
251
- clearTimeout(recompute_timeout)
252
- recompute_timeout = setTimeout(() => void recompute_fermi_surface(), 150)
253
- }
254
-
255
- // Export Fermi surface to various formats
256
- async function handle_export(format: `stl` | `obj` | `gltf`) {
257
- if (!scene) {
258
- console.error(`No scene available for export`)
259
- return
260
- }
261
- try {
262
- const { export_scene } = await import(`./export`)
263
- await export_scene(scene, format, current_filename || `fermi-surface`)
264
- } catch (err) {
265
- console.error(`Export failed:`, err)
266
- error_msg = `Export failed: ${err instanceof Error ? err.message : err}`
267
- }
268
- }
269
-
270
- // Compute BZ when structure or fermi_data changes
271
- $effect(() => {
272
- // Get k_lattice from available sources (priority order)
273
- const k_lattice = fermi_data?.k_lattice ??
274
- band_data?.k_lattice ??
275
- (structure?.lattice?.matrix
276
- ? reciprocal_lattice(structure.lattice.matrix)
277
- : null)
278
-
279
- if (!k_lattice) {
280
- bz_data = undefined
281
- return
282
- }
283
-
284
- try {
285
- bz_data = compute_brillouin_zone(k_lattice, 1)
286
- } catch (err) {
287
- const msg = err instanceof Error ? err.message : String(err)
288
- console.warn(`BZ computation failed:`, msg)
289
- bz_data = undefined
290
- // Only report error for structure-derived lattice (user-provided data)
291
- if (structure?.lattice?.matrix) {
292
- const err_msg = `BZ computation failed: ${msg}`
293
- error_msg = err_msg
294
- untrack(() => on_error?.({ error_msg: err_msg }))
295
- }
296
- }
297
- })
298
-
299
- // Auto-enable BZ tiling when irreducible data is detected
300
- $effect(() => {
301
- if (fermi_data && detect_irreducible_bz(fermi_data)) {
302
- tile_bz = true
303
- }
304
- })
305
-
306
- // Load from URL (with race condition protection for rapid URL changes)
307
- let load_id = 0
308
- $effect(() => {
309
- if (data_url && !fermi_data && !band_data) {
310
- const current_load_id = ++load_id
311
- loading = true
312
- error_msg = undefined
313
- load_from_url(data_url, safe_parse)
314
- .catch((err) => {
315
- if (current_load_id !== load_id) return // stale request
316
- error_msg = err instanceof Error ? err.message : String(err)
317
- on_error?.({ error_msg, filename: data_url })
318
- })
319
- .finally(() => {
320
- if (current_load_id === load_id) loading = false
321
- })
322
- }
323
- })
324
-
325
- const handle_file_drop = create_file_drop_handler({
326
- allow: () => allow_file_drop,
327
- on_drop: async (content, filename) => {
328
- on_file_drop?.(filename)
329
- await safe_parse(content, filename)
330
- },
331
- on_error: (msg) => {
332
- error_msg = msg
333
- on_error?.({ error_msg: msg })
334
- },
335
- set_loading: (val) => {
336
- loading = val
337
- if (val) [error_msg, dragover] = [undefined, false]
338
- },
339
- })
340
-
341
- function handle_keydown(event: KeyboardEvent) {
342
- const target = event.target as HTMLElement
343
- if ([`INPUT`, `TEXTAREA`].includes(target.tagName)) return
344
- // Only handle shortcuts when component is focused/hovered or contains focus
345
- if (!wrapper?.contains(document.activeElement) && !hovered) return
346
-
347
- if (event.key === `f` && fullscreen_toggle) toggle_fullscreen(wrapper)
348
- else if (event.key === `Escape`) controls_open = false
349
- }
350
-
351
- $effect(() => {
352
- if (typeof window === `undefined`) return
353
- const fs_el = document.fullscreenElement
354
- if (fullscreen && fs_el !== wrapper && wrapper) {
355
- wrapper.requestFullscreen().catch((err) => {
356
- console.error(err)
357
- fullscreen = false
358
- })
359
- } else if (!fullscreen && fs_el === wrapper) document.exitFullscreen()
360
- set_fullscreen_bg(wrapper, fullscreen, `--fermi-bg-fullscreen`)
361
- })
362
- </script>
363
-
364
- <svelte:window onkeydown={handle_keydown} />
365
-
366
- <svelte:document
367
- onfullscreenchange={() => {
368
- fullscreen = Boolean(document.fullscreenElement)
369
- on_fullscreen_change?.({ fermi_data, bz_data, fullscreen })
370
- }}
371
- />
372
-
373
- <div
374
- class:dragover
375
- class:active={controls_open}
376
- role="region"
377
- aria-label="Fermi surface viewer"
378
- bind:this={wrapper}
379
- bind:clientWidth={width}
380
- bind:clientHeight={height}
381
- onmouseenter={() => (hovered = true)}
382
- onmouseleave={() => (hovered = false)}
383
- ondrop={handle_file_drop}
384
- ondragover={(event) => {
385
- event.preventDefault()
386
- if (!allow_file_drop) return
387
- dragover = true
388
- }}
389
- ondragleave={(event) => {
390
- event.preventDefault()
391
- dragover = false
392
- }}
393
- {...rest}
394
- class="fermi-surface {rest.class ?? ``}"
395
- >
396
- {@render children?.({ fermi_data, bz_data })}
397
- {#if loading}
398
- <Spinner
399
- text="Loading Fermi surface..."
400
- style="position: absolute; top: 50%; left: 50%; transform: translate(-50%, -50%)"
401
- {...spinner_props}
402
- />
403
- {:else if error_msg}
404
- <StatusMessage bind:message={error_msg} type="error" dismissible />
405
- {:else if fermi_data || band_data}
406
- <section
407
- class="control-buttons {controls_config.class}"
408
- style={controls_config.style}
409
- >
410
- {#if controls_config.mode !== `never`}
411
- {#if current_filename && controls_config.visible(`filename`)}
412
- <span class="filename">{current_filename}</span>
413
- {/if}
414
-
415
- {#if fullscreen_toggle && controls_config.visible(`fullscreen`)}
416
- <button
417
- type="button"
418
- onclick={() => fullscreen_toggle && toggle_fullscreen(wrapper)}
419
- title="{fullscreen ? `Exit` : `Enter`} fullscreen"
420
- aria-pressed={fullscreen}
421
- class="fullscreen-toggle"
422
- {@attach tooltip()}
423
- >
424
- {#if typeof fullscreen_toggle === `function`}
425
- {@render fullscreen_toggle({ fullscreen })}
426
- {:else}
427
- <Icon icon="{fullscreen ? `Exit` : ``}Fullscreen" />
428
- {/if}
429
- </button>
430
- {/if}
431
-
432
- {#if controls_config.visible(`controls`)}
433
- <FermiSurfaceControls
434
- bind:controls_open
435
- {fermi_data}
436
- {band_data}
437
- bind:mu
438
- bind:color_property
439
- bind:color_scale
440
- {custom_property_label}
441
- bind:representation
442
- bind:surface_opacity
443
- bind:selected_bands
444
- bind:show_bz
445
- bind:bz_opacity
446
- bind:show_vectors
447
- bind:tile_bz
448
- bind:clip_enabled
449
- bind:clip_axis
450
- bind:clip_position
451
- bind:clip_flip
452
- bind:interpolation_factor
453
- bind:camera_projection
454
- on_mu_change={handle_mu_change}
455
- on_interpolation_change={handle_interpolation_change}
456
- on_export={handle_export}
457
- />
458
- {/if}
459
- {/if}
460
- </section>
461
-
462
- {#if typeof WebGLRenderingContext !== `undefined`}
463
- <Canvas renderMode="on-demand" dpr={Math.min(2, window.devicePixelRatio)}>
464
- <FermiSurfaceScene
465
- {fermi_data}
466
- {bz_data}
467
- {color_property}
468
- {color_scale}
469
- {representation}
470
- {surface_opacity}
471
- {selected_bands}
472
- {show_bz}
473
- {bz_opacity}
474
- {show_vectors}
475
- {tile_bz}
476
- {clip_enabled}
477
- {clip_axis}
478
- {clip_position}
479
- {clip_flip}
480
- {camera_projection}
481
- bind:scene
482
- bind:camera
483
- bind:hover_data
484
- />
485
- </Canvas>
486
-
487
- <!-- Hover tooltip -->
488
- {#if hover_data}
489
- <PlotTooltip
490
- x={hover_data.screen_position.x}
491
- y={hover_data.screen_position.y}
492
- offset={{ x: 12, y: -12 }}
493
- bg_color={hover_data.surface_color}
494
- fixed
495
- style="z-index: 100000001; backdrop-filter: blur(4px); box-shadow: 0 4px 12px rgba(0, 0, 0, 0.3)"
496
- >
497
- <FermiSurfaceTooltip {hover_data} tooltip={tooltip_config} />
498
- </PlotTooltip>
499
- {/if}
500
- {/if}
501
- {:else}
502
- <EmptyState>
503
- <h3 id="drop-fermi-surface-file">Drop Fermi Surface File</h3>
504
- <p>Supports BXSF, FRMSF, JSON (+ .gz)</p>
505
- </EmptyState>
506
- {/if}
507
- </div>
508
-
509
- <style>
510
- .fermi-surface {
511
- position: relative;
512
- container-type: size;
513
- height: var(--fermi-height, 500px);
514
- width: var(--fermi-width, 100%);
515
- max-width: var(--fermi-max-width, 100%);
516
- min-width: var(--fermi-min-width, 300px);
517
- border-radius: var(--fermi-border-radius, var(--border-radius, 3pt));
518
- background: var(--fermi-bg, var(--surface-bg));
519
- color: var(--fermi-text-color, var(--text-color));
520
- }
521
- /* Clip threlte HTML overlays (b₁/b₂/b₃ labels) when they fall outside canvas bounds.
522
- Targets threlte-generated container (parent of canvas), not main wrapper
523
- so control pane can still be dragged outside component bounds.
524
- Fallback for browsers without :has() - targets any direct child div */
525
- .fermi-surface :global(> div) {
526
- overflow: hidden;
527
- }
528
- /* Modern browsers: reset overflow for non-canvas containers */
529
- @supports selector(:has(> canvas)) {
530
- .fermi-surface :global(> div:not(:has(> canvas))) {
531
- overflow: visible;
532
- }
533
- }
534
- .fermi-surface.active {
535
- z-index: var(--fermi-active-z-index, 2);
536
- }
537
- .fermi-surface:fullscreen {
538
- background: var(--fermi-bg-fullscreen, var(--surface-bg));
539
- overflow: hidden;
540
- }
541
- .fermi-surface:fullscreen :global(canvas) {
542
- height: 100vh !important;
543
- width: 100vw !important;
544
- }
545
- .fermi-surface.dragover {
546
- background: var(--fermi-dragover-bg, var(--dragover-bg));
547
- border: var(--fermi-dragover-border, var(--dragover-border));
548
- }
549
- .fermi-surface :global(canvas) {
550
- user-select: none;
551
- }
552
- section.control-buttons {
553
- position: absolute;
554
- display: flex;
555
- top: var(--fermi-buttons-top, var(--ctrl-btn-top, 1ex));
556
- right: var(--fermi-buttons-right, var(--ctrl-btn-right, 1ex));
557
- gap: clamp(6pt, 1cqmin, 9pt);
558
- z-index: var(--fermi-buttons-z-index, 100000000);
559
- opacity: 0;
560
- pointer-events: none;
561
- transition: opacity 0.2s ease;
562
- align-items: center;
563
- }
564
- /* Mode: always - controls always visible */
565
- section.control-buttons.always-visible {
566
- opacity: 1;
567
- pointer-events: auto;
568
- }
569
- /* Mode: hover - controls visible on component hover */
570
- .fermi-surface:hover section.control-buttons.hover-visible,
571
- .fermi-surface:focus-within section.control-buttons.hover-visible {
572
- opacity: 1;
573
- pointer-events: auto;
574
- }
575
- /* Mode: never - stays hidden (default state, no additional CSS needed) */
576
- section.control-buttons > :global(button) {
577
- background-color: transparent;
578
- display: flex;
579
- padding: 4px;
580
- border-radius: var(--border-radius, 3pt);
581
- font-size: clamp(0.85em, 2cqmin, 1.3em);
582
- }
583
- section.control-buttons :global(button:hover) {
584
- background-color: color-mix(in srgb, currentColor 8%, transparent);
585
- }
586
- .filename {
587
- font-family: monospace;
588
- font-size: 0.9em;
589
- background: var(--code-bg, rgba(0, 0, 0, 0.1));
590
- padding: 3pt 6pt;
591
- border-radius: 3pt;
592
- max-width: 200px;
593
- overflow: hidden;
594
- text-overflow: ellipsis;
595
- white-space: nowrap;
596
- }
597
- </style>
@@ -1,83 +0,0 @@
1
- import type { BrillouinZoneData } from '../brillouin';
2
- import type { ShowControlsProp } from '../controls';
3
- import Spinner from '../feedback/Spinner.svelte';
4
- import type { CameraProjection } from '../settings';
5
- import type { Crystal } from '../structure';
6
- import type { ComponentProps, Snippet } from 'svelte';
7
- import type { HTMLAttributes } from 'svelte/elements';
8
- import type { BandGridData, ColorProperty, FermiErrorData, FermiFileLoadData, FermiHoverData, FermiSurfaceData, FermiTooltipConfig, RepresentationMode } from './types';
9
- type FermiHandlerData = {
10
- fermi_data?: FermiSurfaceData;
11
- band_data?: BandGridData;
12
- bz_data?: BrillouinZoneData;
13
- filename?: string;
14
- file_size?: number;
15
- error_msg?: string;
16
- fullscreen?: boolean;
17
- };
18
- type $$ComponentProps = {
19
- fermi_data?: FermiSurfaceData;
20
- band_data?: BandGridData;
21
- structure?: Crystal;
22
- bz_data?: BrillouinZoneData;
23
- mu?: number;
24
- controls_open?: boolean;
25
- color_property?: ColorProperty;
26
- color_scale?: string;
27
- custom_property_label?: string;
28
- representation?: RepresentationMode;
29
- surface_opacity?: number;
30
- selected_bands?: number[];
31
- show_bz?: boolean;
32
- bz_opacity?: number;
33
- show_vectors?: boolean;
34
- tile_bz?: boolean;
35
- clip_enabled?: boolean;
36
- clip_axis?: `x` | `y` | `z`;
37
- clip_position?: number;
38
- clip_flip?: boolean;
39
- interpolation_factor?: number;
40
- camera_projection?: CameraProjection;
41
- /**
42
- * Controls visibility configuration.
43
- * - 'always': controls always visible
44
- * - 'hover': controls visible on component hover (default)
45
- * - 'never': controls never visible
46
- * - object: { mode, hidden, style } for fine-grained control
47
- *
48
- * Control names: 'filename', 'fullscreen', 'controls'
49
- */
50
- show_controls?: ShowControlsProp;
51
- fullscreen?: boolean;
52
- width?: number;
53
- height?: number;
54
- wrapper?: HTMLDivElement;
55
- hovered?: boolean;
56
- dragover?: boolean;
57
- allow_file_drop?: boolean;
58
- fullscreen_toggle?: Snippet<[{
59
- fullscreen: boolean;
60
- }]> | boolean;
61
- data_url?: string;
62
- spinner_props?: ComponentProps<typeof Spinner>;
63
- loading?: boolean;
64
- error_msg?: string;
65
- children?: Snippet<[
66
- {
67
- fermi_data?: FermiSurfaceData;
68
- bz_data?: BrillouinZoneData;
69
- }
70
- ]>;
71
- on_file_drop?: (filename: string) => void;
72
- on_file_load?: (data: FermiFileLoadData) => void;
73
- on_error?: (data: FermiErrorData) => void;
74
- on_fullscreen_change?: (data: FermiHandlerData) => void;
75
- on_mu_change?: (mu: number) => void;
76
- tooltip_config?: Snippet<[{
77
- hover_data: FermiHoverData;
78
- }]> | FermiTooltipConfig;
79
- on_hover?: (data: FermiHoverData | null) => void;
80
- } & HTMLAttributes<HTMLDivElement>;
81
- declare const FermiSurface: import("svelte").Component<$$ComponentProps, {}, "height" | "width" | "dragover" | "fullscreen" | "hovered" | "controls_open" | "loading" | "camera_projection" | "color_scale" | "wrapper" | "error_msg" | "surface_opacity" | "show_vectors" | "bz_data" | "mu" | "selected_bands" | "interpolation_factor" | "fermi_data" | "band_data" | "color_property" | "representation" | "show_bz" | "bz_opacity" | "tile_bz" | "clip_enabled" | "clip_axis" | "clip_position" | "clip_flip">;
82
- type FermiSurface = ReturnType<typeof FermiSurface>;
83
- export default FermiSurface;