matterviz 0.3.5 → 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 (855) 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/brillouin/BrillouinZone.svelte +549 -0
  14. package/dist/src/lib/brillouin/BrillouinZoneControls.svelte +144 -0
  15. package/dist/src/lib/brillouin/BrillouinZoneExportPane.svelte +146 -0
  16. package/dist/src/lib/brillouin/BrillouinZoneInfoPane.svelte +146 -0
  17. package/dist/src/lib/brillouin/BrillouinZoneScene.svelte +476 -0
  18. package/dist/src/lib/brillouin/BrillouinZoneTooltip.svelte +92 -0
  19. package/dist/src/lib/brillouin/compute.ts +529 -0
  20. package/dist/src/lib/brillouin/index.ts +8 -0
  21. package/dist/src/lib/brillouin/types.ts +51 -0
  22. package/dist/src/lib/chempot-diagram/ChemPotDiagram.svelte +327 -0
  23. package/dist/src/lib/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
  24. package/dist/src/lib/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
  25. package/dist/src/lib/chempot-diagram/async-compute.svelte.ts +94 -0
  26. package/dist/src/lib/chempot-diagram/chempot-worker.ts +11 -0
  27. package/dist/src/lib/chempot-diagram/color.ts +42 -0
  28. package/dist/src/lib/chempot-diagram/compute.ts +1014 -0
  29. package/dist/src/lib/chempot-diagram/index.ts +6 -0
  30. package/dist/src/lib/chempot-diagram/pointer.ts +56 -0
  31. package/dist/src/lib/chempot-diagram/temperature.ts +77 -0
  32. package/dist/src/lib/chempot-diagram/types.ts +130 -0
  33. package/dist/src/lib/colors/index.ts +249 -0
  34. package/dist/src/lib/composition/BarChart.svelte +297 -0
  35. package/dist/src/lib/composition/BubbleChart.svelte +218 -0
  36. package/dist/src/lib/composition/Composition.svelte +165 -0
  37. package/dist/src/lib/composition/Formula.svelte +268 -0
  38. package/dist/src/lib/composition/FormulaFilter.svelte +1257 -0
  39. package/dist/src/lib/composition/PieChart.svelte +323 -0
  40. package/dist/src/lib/composition/format.ts +155 -0
  41. package/dist/src/lib/composition/index.ts +37 -0
  42. package/dist/src/lib/composition/parse.ts +605 -0
  43. package/dist/src/lib/constants.ts +134 -0
  44. package/dist/src/lib/controls.ts +42 -0
  45. package/dist/src/lib/convex-hull/ConvexHull.svelte +157 -0
  46. package/dist/src/lib/convex-hull/ConvexHull2D.svelte +825 -0
  47. package/dist/src/lib/convex-hull/ConvexHull3D.svelte +1801 -0
  48. package/dist/src/lib/convex-hull/ConvexHull4D.svelte +1398 -0
  49. package/dist/src/lib/convex-hull/ConvexHullControls.svelte +535 -0
  50. package/dist/src/lib/convex-hull/ConvexHullInfoPane.svelte +125 -0
  51. package/dist/src/lib/convex-hull/ConvexHullStats.svelte +929 -0
  52. package/dist/src/lib/convex-hull/ConvexHullTooltip.svelte +131 -0
  53. package/dist/src/lib/convex-hull/GasPressureControls.svelte +247 -0
  54. package/dist/src/lib/convex-hull/StructurePopup.svelte +151 -0
  55. package/dist/src/lib/convex-hull/TemperatureSlider.svelte +140 -0
  56. package/dist/src/lib/convex-hull/barycentric-coords.ts +246 -0
  57. package/dist/src/lib/convex-hull/demo-temperature.ts +63 -0
  58. package/dist/src/lib/convex-hull/gas-thermodynamics.ts +405 -0
  59. package/dist/src/lib/convex-hull/helpers.ts +932 -0
  60. package/dist/src/lib/convex-hull/index.ts +202 -0
  61. package/dist/src/lib/convex-hull/thermodynamics.ts +2192 -0
  62. package/dist/src/lib/convex-hull/types.ts +267 -0
  63. package/dist/src/lib/coordination/CoordinationBarPlot.svelte +311 -0
  64. package/dist/src/lib/coordination/calc-coordination.ts +93 -0
  65. package/dist/src/lib/coordination/index.ts +9 -0
  66. package/dist/src/lib/effects.svelte.ts +48 -0
  67. package/dist/src/lib/element/BohrAtom.svelte +147 -0
  68. package/dist/src/lib/element/ElementHeading.svelte +26 -0
  69. package/dist/src/lib/element/ElementPhoto.svelte +57 -0
  70. package/dist/src/lib/element/ElementStats.svelte +80 -0
  71. package/dist/src/lib/element/ElementTile.svelte +484 -0
  72. package/dist/src/lib/element/data.json.gz.d.ts +4 -0
  73. package/dist/src/lib/element/data.ts +14 -0
  74. package/dist/src/lib/element/index.ts +8 -0
  75. package/dist/src/lib/element/types.ts +62 -0
  76. package/dist/src/lib/feedback/ClickFeedback.svelte +58 -0
  77. package/dist/src/lib/feedback/DragOverlay.svelte +42 -0
  78. package/dist/src/lib/feedback/index.ts +4 -0
  79. package/dist/src/lib/fermi-surface/FermiSlice.svelte +189 -0
  80. package/dist/src/lib/fermi-surface/FermiSurface.svelte +600 -0
  81. package/dist/src/lib/fermi-surface/FermiSurfaceControls.svelte +448 -0
  82. package/dist/src/lib/fermi-surface/FermiSurfaceScene.svelte +794 -0
  83. package/dist/src/lib/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
  84. package/dist/src/lib/fermi-surface/compute.ts +728 -0
  85. package/dist/src/lib/fermi-surface/constants.ts +32 -0
  86. package/dist/src/lib/fermi-surface/export.ts +64 -0
  87. package/dist/src/lib/fermi-surface/index.ts +14 -0
  88. package/dist/src/lib/fermi-surface/marching-cubes.ts +3 -0
  89. package/dist/src/lib/fermi-surface/parse.ts +574 -0
  90. package/dist/src/lib/fermi-surface/symmetry.ts +56 -0
  91. package/dist/src/lib/fermi-surface/types.ts +159 -0
  92. package/dist/src/lib/heatmap-matrix/HeatmapMatrix.svelte +1545 -0
  93. package/dist/src/lib/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  94. package/dist/src/lib/heatmap-matrix/index.ts +167 -0
  95. package/dist/src/lib/heatmap-matrix/shared.ts +7 -0
  96. package/dist/src/lib/icons.ts +650 -0
  97. package/dist/src/lib/index.ts +61 -0
  98. package/dist/src/lib/io/decompress.ts +92 -0
  99. package/dist/src/lib/io/export.ts +385 -0
  100. package/dist/src/lib/io/fetch.ts +46 -0
  101. package/dist/src/lib/io/file-drop.ts +51 -0
  102. package/dist/src/lib/io/index.ts +7 -0
  103. package/dist/src/lib/io/is-binary.ts +24 -0
  104. package/dist/src/lib/io/types.ts +8 -0
  105. package/dist/src/lib/io/url-drop.ts +141 -0
  106. package/dist/src/lib/isosurface/Isosurface.svelte +285 -0
  107. package/dist/src/lib/isosurface/IsosurfaceControls.svelte +277 -0
  108. package/dist/src/lib/isosurface/index.ts +7 -0
  109. package/dist/src/lib/isosurface/parse.ts +656 -0
  110. package/dist/src/lib/isosurface/slice.ts +175 -0
  111. package/dist/src/lib/isosurface/types.ts +309 -0
  112. package/dist/src/lib/labels.ts +320 -0
  113. package/dist/src/lib/layout/FullscreenToggle.svelte +50 -0
  114. package/dist/src/lib/layout/InfoCard.svelte +120 -0
  115. package/dist/src/lib/layout/InfoTag.svelte +185 -0
  116. package/dist/src/lib/layout/PropertyFilter.svelte +246 -0
  117. package/dist/src/lib/layout/SettingsSection.svelte +148 -0
  118. package/dist/src/lib/layout/SubpageGrid.svelte +82 -0
  119. package/dist/src/lib/layout/fullscreen.ts +65 -0
  120. package/dist/src/lib/layout/index.ts +11 -0
  121. package/dist/src/lib/layout/json-tree/JsonNode.svelte +548 -0
  122. package/dist/src/lib/layout/json-tree/JsonTree.svelte +1230 -0
  123. package/dist/src/lib/layout/json-tree/JsonValue.svelte +334 -0
  124. package/dist/src/lib/layout/json-tree/index.ts +3 -0
  125. package/dist/src/lib/layout/json-tree/types.ts +126 -0
  126. package/dist/src/lib/layout/json-tree/utils.ts +682 -0
  127. package/dist/src/lib/marching-cubes.ts +614 -0
  128. package/dist/src/lib/math.ts +1081 -0
  129. package/dist/src/lib/overlays/ContextMenu.svelte +162 -0
  130. package/dist/src/lib/overlays/CopyButton.svelte +45 -0
  131. package/dist/src/lib/overlays/DragControlTab.svelte +98 -0
  132. package/dist/src/lib/overlays/DraggablePane.svelte +487 -0
  133. package/dist/src/lib/overlays/InfoPaneCards.svelte +149 -0
  134. package/dist/src/lib/overlays/index.ts +3 -0
  135. package/dist/src/lib/periodic-table/PeriodicTable.svelte +469 -0
  136. package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +557 -0
  137. package/dist/src/lib/periodic-table/PropertySelect.svelte +37 -0
  138. package/dist/src/lib/periodic-table/index.ts +12 -0
  139. package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
  140. package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +444 -0
  141. package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
  142. package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
  143. package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
  144. package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +203 -0
  145. package/dist/src/lib/phase-diagram/build-diagram.ts +186 -0
  146. package/dist/src/lib/phase-diagram/colors.ts +58 -0
  147. package/dist/src/lib/phase-diagram/diagram-input.ts +40 -0
  148. package/dist/src/lib/phase-diagram/index.ts +13 -0
  149. package/dist/src/lib/phase-diagram/parse.ts +348 -0
  150. package/dist/src/lib/phase-diagram/svg-to-diagram.ts +1023 -0
  151. package/dist/src/lib/phase-diagram/types.ts +144 -0
  152. package/dist/src/lib/phase-diagram/utils.ts +775 -0
  153. package/dist/src/lib/plot/AxisLabel.svelte +51 -0
  154. package/dist/src/lib/plot/BarPlot.svelte +2113 -0
  155. package/dist/src/lib/plot/BarPlotControls.svelte +66 -0
  156. package/dist/src/lib/plot/BinnedScatterPlot.svelte +1114 -0
  157. package/dist/src/lib/plot/ColorBar.svelte +721 -0
  158. package/dist/src/lib/plot/ColorScaleSelect.svelte +54 -0
  159. package/dist/src/lib/plot/ElementScatter.svelte +63 -0
  160. package/dist/src/lib/plot/FillArea.svelte +223 -0
  161. package/dist/src/lib/plot/Histogram.svelte +1558 -0
  162. package/dist/src/lib/plot/HistogramControls.svelte +212 -0
  163. package/dist/src/lib/plot/InteractiveAxisLabel.svelte +96 -0
  164. package/dist/src/lib/plot/Line.svelte +84 -0
  165. package/dist/src/lib/plot/PlotAxis.svelte +169 -0
  166. package/dist/src/lib/plot/PlotControls.svelte +537 -0
  167. package/dist/src/lib/plot/PlotLegend.svelte +569 -0
  168. package/dist/src/lib/plot/PlotTooltip.svelte +67 -0
  169. package/dist/src/lib/plot/PortalSelect.svelte +253 -0
  170. package/dist/src/lib/plot/ReferenceLine3D.svelte +156 -0
  171. package/dist/src/lib/plot/ReferencePlane.svelte +175 -0
  172. package/dist/src/lib/plot/ScatterPlot.svelte +2778 -0
  173. package/dist/src/lib/plot/ScatterPlot3D.svelte +529 -0
  174. package/dist/src/lib/plot/ScatterPlot3DControls.svelte +437 -0
  175. package/dist/src/lib/plot/ScatterPlot3DScene.svelte +912 -0
  176. package/dist/src/lib/plot/ScatterPlotControls.svelte +306 -0
  177. package/dist/src/lib/plot/ScatterPoint.svelte +182 -0
  178. package/dist/src/lib/plot/SpacegroupBarPlot.svelte +293 -0
  179. package/dist/src/lib/plot/Surface3D.svelte +197 -0
  180. package/dist/src/lib/plot/ZeroLines.svelte +97 -0
  181. package/dist/src/lib/plot/ZoomRect.svelte +23 -0
  182. package/dist/src/lib/plot/adaptive-density.ts +316 -0
  183. package/dist/src/lib/plot/auto-place.ts +184 -0
  184. package/dist/src/lib/plot/axis-utils.ts +122 -0
  185. package/dist/src/lib/plot/binned-scatter-types.ts +83 -0
  186. package/dist/src/lib/plot/data-cleaning.ts +1069 -0
  187. package/dist/src/lib/plot/data-transform.ts +69 -0
  188. package/dist/src/lib/plot/defaults.ts +9 -0
  189. package/dist/src/lib/plot/fill-utils.ts +494 -0
  190. package/dist/src/lib/plot/hover-lock.svelte.ts +60 -0
  191. package/dist/src/lib/plot/index.ts +53 -0
  192. package/dist/src/lib/plot/interactions.ts +119 -0
  193. package/dist/src/lib/plot/layout.ts +425 -0
  194. package/dist/src/lib/plot/reference-line.ts +426 -0
  195. package/dist/src/lib/plot/scales.ts +654 -0
  196. package/dist/src/lib/plot/svg.ts +23 -0
  197. package/dist/src/lib/plot/types.ts +1144 -0
  198. package/dist/src/lib/plot/utils/label-placement.ts +541 -0
  199. package/dist/src/lib/plot/utils/series-visibility.ts +140 -0
  200. package/dist/src/lib/plot/utils.ts +11 -0
  201. package/dist/src/lib/rdf/RdfPlot.svelte +247 -0
  202. package/dist/src/lib/rdf/calc-rdf.ts +167 -0
  203. package/dist/src/lib/rdf/index.ts +27 -0
  204. package/dist/src/lib/sanitize.ts +126 -0
  205. package/dist/src/lib/settings.ts +1479 -0
  206. package/dist/src/lib/spectral/Bands.svelte +1040 -0
  207. package/dist/src/lib/spectral/BandsAndDos.svelte +134 -0
  208. package/dist/src/lib/spectral/BrillouinBandsDos.svelte +252 -0
  209. package/dist/src/lib/spectral/Dos.svelte +697 -0
  210. package/dist/src/lib/spectral/helpers.ts +1381 -0
  211. package/dist/src/lib/spectral/index.ts +8 -0
  212. package/dist/src/lib/spectral/types.ts +112 -0
  213. package/dist/src/lib/state.svelte.ts +64 -0
  214. package/dist/src/lib/structure/Arrow.svelte +72 -0
  215. package/dist/src/lib/structure/AtomLegend.svelte +815 -0
  216. package/dist/src/lib/structure/Bond.svelte +140 -0
  217. package/dist/src/lib/structure/CanvasTooltip.svelte +33 -0
  218. package/dist/src/lib/structure/CellSelect.svelte +349 -0
  219. package/dist/src/lib/structure/Cylinder.svelte +45 -0
  220. package/dist/src/lib/structure/Lattice.svelte +196 -0
  221. package/dist/src/lib/structure/Structure.svelte +2248 -0
  222. package/dist/src/lib/structure/StructureControls.svelte +1273 -0
  223. package/dist/src/lib/structure/StructureExportPane.svelte +252 -0
  224. package/dist/src/lib/structure/StructureInfoPane.svelte +737 -0
  225. package/dist/src/lib/structure/StructureScene.svelte +2255 -0
  226. package/dist/src/lib/structure/atom-properties.ts +316 -0
  227. package/dist/src/lib/structure/bond-order-perception.ts +447 -0
  228. package/dist/src/lib/structure/bonding.ts +944 -0
  229. package/dist/src/lib/structure/export.ts +861 -0
  230. package/dist/src/lib/structure/index.ts +291 -0
  231. package/dist/src/lib/structure/label-placement.ts +130 -0
  232. package/dist/src/lib/structure/measure.ts +45 -0
  233. package/dist/src/lib/structure/parse.ts +1705 -0
  234. package/dist/src/lib/structure/partial-occupancy.ts +183 -0
  235. package/dist/src/lib/structure/pbc.ts +164 -0
  236. package/dist/src/lib/structure/supercell.ts +226 -0
  237. package/dist/src/lib/structure/validation.ts +11 -0
  238. package/dist/src/lib/symmetry/SymmetryStats.svelte +226 -0
  239. package/dist/src/lib/symmetry/WyckoffTable.svelte +120 -0
  240. package/dist/src/lib/symmetry/cell-transform.ts +118 -0
  241. package/dist/src/lib/symmetry/index.ts +348 -0
  242. package/dist/src/lib/symmetry/spacegroups.ts +404 -0
  243. package/dist/src/lib/table/HeatmapTable.svelte +1833 -0
  244. package/dist/src/lib/table/ToggleMenu.svelte +385 -0
  245. package/dist/src/lib/table/index.ts +139 -0
  246. package/dist/src/lib/theme/ThemeControl.svelte +53 -0
  247. package/dist/src/lib/theme/index.ts +107 -0
  248. package/dist/src/lib/theme/themes.mjs +297 -0
  249. package/dist/src/lib/time.ts +71 -0
  250. package/dist/src/lib/tooltip/TooltipContent.svelte +58 -0
  251. package/dist/src/lib/tooltip/index.ts +2 -0
  252. package/dist/src/lib/tooltip/types.ts +13 -0
  253. package/dist/src/lib/trajectory/Trajectory.svelte +1545 -0
  254. package/dist/src/lib/trajectory/TrajectoryError.svelte +128 -0
  255. package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +357 -0
  256. package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +313 -0
  257. package/dist/src/lib/trajectory/constants.ts +7 -0
  258. package/dist/src/lib/trajectory/extract.ts +196 -0
  259. package/dist/src/lib/trajectory/format-detect.ts +96 -0
  260. package/dist/src/lib/trajectory/frame-reader.ts +456 -0
  261. package/dist/src/lib/trajectory/helpers.ts +217 -0
  262. package/dist/src/lib/trajectory/index.ts +218 -0
  263. package/dist/src/lib/trajectory/parse/ase.ts +109 -0
  264. package/dist/src/lib/trajectory/parse/hdf5.ts +173 -0
  265. package/dist/src/lib/trajectory/parse/index.ts +411 -0
  266. package/dist/src/lib/trajectory/parse/lammps.ts +215 -0
  267. package/dist/src/lib/trajectory/parse/vasp.ts +102 -0
  268. package/dist/src/lib/trajectory/parse/xyz.ts +143 -0
  269. package/dist/src/lib/trajectory/plotting.ts +599 -0
  270. package/dist/src/lib/trajectory/types.ts +13 -0
  271. package/dist/src/lib/utils.ts +56 -0
  272. package/dist/src/lib/xrd/XrdPlot.svelte +615 -0
  273. package/dist/src/lib/xrd/broadening.ts +130 -0
  274. package/dist/src/lib/xrd/calc-xrd.ts +397 -0
  275. package/dist/src/lib/xrd/index.ts +38 -0
  276. package/dist/src/lib/xrd/parse.ts +858 -0
  277. package/dist/webview.js +29421 -0
  278. package/icon.png +0 -0
  279. package/license +1 -1
  280. package/matterviz-0.3.2.vsix +0 -0
  281. package/matterviz-0.3.4.vsix +0 -0
  282. package/matterviz-0.3.5.vsix +0 -0
  283. package/package.json +1460 -215
  284. package/readme.md +171 -98
  285. package/scripts/sync-config.ts +101 -0
  286. package/src/declarations.d.ts +2 -0
  287. package/src/extension.ts +972 -0
  288. package/src/node-io.ts +65 -0
  289. package/src/types.ts +17 -0
  290. package/src/webview/JsonBrowser.svelte +1079 -0
  291. package/src/webview/PlotPanel.svelte +346 -0
  292. package/src/webview/detect.ts +444 -0
  293. package/src/webview/main.ts +764 -0
  294. package/src/webview/plot-utils.ts +250 -0
  295. package/test-fixtures/all-viz-types.json.gz +0 -0
  296. package/test-fixtures/plot-demo-data.json.gz +0 -0
  297. package/tests/detect.test.ts +604 -0
  298. package/tests/extension.test.ts +2041 -0
  299. package/tests/node-io.test.ts +39 -0
  300. package/tests/plot-utils.test.ts +302 -0
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  302. package/tests/vscode-mock.ts +18 -0
  303. package/tests/webview.test.ts +231 -0
  304. package/tsconfig.json +20 -0
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  306. package/vite.config.ts +34 -0
  307. package/vite.extension.config.ts +34 -0
  308. package/dist/EmptyState.svelte.d.ts +0 -9
  309. package/dist/FilePicker.svelte +0 -360
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  312. package/dist/MillerIndexInput.svelte +0 -66
  313. package/dist/MillerIndexInput.svelte.d.ts +0 -7
  314. package/dist/api/mp.d.ts +0 -6
  315. package/dist/api/mp.js +0 -22
  316. package/dist/api/optimade.d.ts +0 -45
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  318. package/dist/brillouin/BrillouinZone.svelte +0 -546
  319. package/dist/brillouin/BrillouinZone.svelte.d.ts +0 -83
  320. package/dist/brillouin/BrillouinZoneControls.svelte +0 -144
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@@ -1,476 +0,0 @@
1
- <script lang="ts">
2
- import { AXIS_COLORS, NEG_AXIS_COLORS } from '../colors'
3
- import type { Vec3 } from '../math'
4
- import * as math from '../math'
5
- import { type CameraProjection, DEFAULTS } from '../settings'
6
- import Arrow from '../structure/Arrow.svelte'
7
- import Cylinder from '../structure/Cylinder.svelte'
8
- import { T, useThrelte } from '@threlte/core'
9
- import * as extras from '@threlte/extras'
10
- import type { ComponentProps } from 'svelte'
11
- import type { Camera, Scene } from 'three'
12
- import { BufferAttribute, BufferGeometry, Vector3 } from 'three'
13
- import type { BrillouinZoneData, BZHoverData, IrreducibleBZData } from './types'
14
-
15
- // Threlte pointer event type for mesh interactions
16
- type ThreltePointerEvent = { point: Vector3; nativeEvent: PointerEvent }
17
-
18
- let {
19
- bz_data = $bindable(),
20
- camera_position = $bindable(),
21
- camera_projection = $bindable(`perspective`),
22
- surface_color = $bindable(`#4488ff`),
23
- surface_opacity = $bindable(0.3),
24
- edge_color = $bindable(`#000000`),
25
- edge_width = $bindable(0.05),
26
- show_vectors = $bindable(true),
27
- vector_scale = $bindable(1.0),
28
- // Irreducible BZ options
29
- show_ibz = false,
30
- ibz_data = null as IrreducibleBZData | null,
31
- ibz_color = `#ff8844`,
32
- ibz_opacity = 0.5,
33
- rotation_damping = DEFAULTS.structure.rotation_damping,
34
- max_zoom = DEFAULTS.structure.max_zoom,
35
- min_zoom = DEFAULTS.structure.min_zoom,
36
- rotate_speed = DEFAULTS.structure.rotate_speed,
37
- zoom_speed = DEFAULTS.structure.zoom_speed,
38
- pan_speed = DEFAULTS.structure.pan_speed,
39
- zoom_to_cursor = DEFAULTS.structure.zoom_to_cursor,
40
- fov = DEFAULTS.structure.fov,
41
- initial_zoom = DEFAULTS.structure.initial_zoom,
42
- ambient_light = DEFAULTS.structure.ambient_light,
43
- directional_light = DEFAULTS.structure.directional_light,
44
- gizmo = DEFAULTS.structure.show_gizmo,
45
- auto_rotate = DEFAULTS.structure.auto_rotate,
46
- camera_is_moving = $bindable(false),
47
- scene = $bindable(),
48
- camera = $bindable(),
49
- k_path_points = [],
50
- k_path_labels = [],
51
- hovered_k_point = null,
52
- hovered_qpoint_index = null,
53
- hover_data = $bindable<BZHoverData | null>(null),
54
- }: {
55
- bz_data?: BrillouinZoneData
56
- camera_position?: Vec3 | undefined
57
- camera_projection?: CameraProjection
58
- surface_color?: string
59
- surface_opacity?: number
60
- edge_color?: string
61
- edge_width?: number
62
- show_vectors?: boolean
63
- vector_scale?: number
64
- // Irreducible BZ options
65
- show_ibz?: boolean
66
- ibz_data?: IrreducibleBZData | null
67
- ibz_color?: string
68
- ibz_opacity?: number
69
- rotation_damping?: number
70
- max_zoom?: number
71
- min_zoom?: number
72
- rotate_speed?: number
73
- zoom_speed?: number
74
- pan_speed?: number
75
- zoom_to_cursor?: boolean
76
- fov?: number
77
- initial_zoom?: number
78
- ambient_light?: number
79
- directional_light?: number
80
- gizmo?: boolean | ComponentProps<typeof extras.Gizmo>
81
- auto_rotate?: number
82
- camera_is_moving?: boolean
83
- scene?: Scene
84
- camera?: Camera
85
- k_path_points?: Vec3[]
86
- k_path_labels?: { position: Vec3; label: string | null }[]
87
- hovered_k_point?: Vec3 | null
88
- hovered_qpoint_index?: number | null
89
- hover_data?: BZHoverData | null
90
- } = $props()
91
-
92
- const threlte = useThrelte()
93
- $effect(() => {
94
- scene = threlte.scene
95
- camera = threlte.camera.current
96
- if (threlte.renderer) {
97
- Object.assign(threlte.renderer.domElement, { __renderer: threlte.renderer })
98
- }
99
- })
100
-
101
- extras.interactivity()
102
-
103
- // Compute centroid of BZ vertices for proper rotation center
104
- const rotation_target = $derived.by((): Vec3 => {
105
- if (!bz_data?.vertices || bz_data.vertices.length === 0) return [0, 0, 0]
106
- const sum = bz_data.vertices.reduce(
107
- (acc, v) => math.add(acc, v),
108
- [0, 0, 0] as Vec3,
109
- )
110
- return math.scale(sum, 1 / bz_data.vertices.length)
111
- })
112
-
113
- // BZ size for camera positioning: average magnitude of k-vectors
114
- const bz_size = $derived.by(() => {
115
- if (!bz_data?.k_lattice) return 10
116
- const mags = bz_data.k_lattice.map((vec) => Math.hypot(...vec))
117
- return mags.reduce((sum, mag) => sum + mag, 0) / 3
118
- })
119
-
120
- const computed_camera_position = $derived.by(() =>
121
- camera_position || ([10, 3, 8].map((x) => x * Math.max(1, bz_size)) as Vec3)
122
- )
123
-
124
- const gizmo_props = $derived({
125
- background: { enabled: false },
126
- className: `responsive-gizmo`,
127
- ...Object.fromEntries(
128
- [...AXIS_COLORS, ...NEG_AXIS_COLORS].map(([axis, color, hover]) => [
129
- axis,
130
- {
131
- color,
132
- labelColor: `#111`,
133
- opacity: axis.startsWith(`n`) ? 0.9 : 0.8,
134
- hover: {
135
- color: hover,
136
- labelColor: `#222`,
137
- opacity: axis.startsWith(`n`) ? 1 : 0.9,
138
- },
139
- },
140
- ]),
141
- ),
142
- ...(typeof gizmo === `object` ? gizmo : {}),
143
- offset: { left: 5, bottom: 5 },
144
- })
145
-
146
- const is_ortho = $derived(camera_projection === `orthographic`)
147
- const orbit_controls_props = $derived({
148
- position: [0, 0, 0],
149
- target: rotation_target,
150
- enableRotate: rotate_speed > 0,
151
- rotateSpeed: rotate_speed,
152
- enableZoom: zoom_speed > 0,
153
- zoomSpeed: is_ortho ? zoom_speed * 2 : zoom_speed,
154
- zoomToCursor: zoom_to_cursor,
155
- enablePan: pan_speed > 0,
156
- panSpeed: pan_speed,
157
- maxZoom: max_zoom,
158
- minZoom: min_zoom,
159
- autoRotate: Boolean(auto_rotate),
160
- autoRotateSpeed: auto_rotate,
161
- enableDamping: Boolean(rotation_damping),
162
- dampingFactor: rotation_damping,
163
- onstart: () => (camera_is_moving = true),
164
- onend: () => (camera_is_moving = false),
165
- })
166
-
167
- const vector_colors = [`red`, `green`, `blue`]
168
- const vector_labels = [`b₁`, `b₂`, `b₃`]
169
-
170
- // Create mesh geometry from faces with fan triangulation
171
- function create_mesh_geometry(
172
- vertices: Vec3[],
173
- faces: number[][],
174
- ): BufferGeometry | null {
175
- if (faces.length === 0) return null
176
-
177
- const positions: number[] = []
178
- const normals: number[] = []
179
-
180
- for (const face of faces) {
181
- if (face.length < 3) continue
182
- for (let face_idx = 1; face_idx < face.length - 1; face_idx++) {
183
- const indices = [face[0], face[face_idx], face[face_idx + 1]]
184
- if (indices.some((idx) => idx < 0 || idx >= vertices.length)) continue
185
- const [v0, v1, v2] = indices.map((idx) => vertices[idx])
186
- positions.push(...v0, ...v1, ...v2)
187
-
188
- const e1: Vec3 = math.subtract(v1, v0)
189
- const e2: Vec3 = math.subtract(v2, v0)
190
- const normal_vec = math.cross_3d(e1, e2)
191
- const len = Math.hypot(...normal_vec)
192
- const norm = len > 1e-10 ? normal_vec.map((x) => x / len) : [0, 0, 0]
193
- normals.push(...norm, ...norm, ...norm)
194
- }
195
- }
196
-
197
- const geometry = new BufferGeometry()
198
- geometry.setAttribute(
199
- `position`,
200
- new BufferAttribute(new Float32Array(positions), 3),
201
- )
202
- geometry.setAttribute(`normal`, new BufferAttribute(new Float32Array(normals), 3))
203
- geometry.computeBoundingSphere()
204
- return geometry
205
- }
206
-
207
- const bz_geometry = $derived(
208
- bz_data ? create_mesh_geometry(bz_data.vertices, bz_data.faces) : null,
209
- )
210
- const ibz_geometry = $derived(
211
- show_ibz && ibz_data
212
- ? create_mesh_geometry(ibz_data.vertices, ibz_data.faces)
213
- : null,
214
- )
215
-
216
- // Separate effects to avoid disposing one geometry when only the other changes
217
- $effect(() => {
218
- const prev = bz_geometry
219
- return () => prev?.dispose()
220
- })
221
- $effect(() => {
222
- const prev = ibz_geometry
223
- return () => prev?.dispose()
224
- })
225
-
226
- // Compute inverse of k_lattice for Cartesian->fractional conversion
227
- const k_lattice_inv = $derived.by(() => {
228
- if (!bz_data?.k_lattice) return null
229
- try {
230
- return math.matrix_inverse_3x3(bz_data.k_lattice)
231
- } catch {
232
- return null
233
- }
234
- })
235
-
236
- // Convert Cartesian k-coordinates to fractional (reciprocal lattice units)
237
- function cartesian_to_fractional(cart: Vec3): Vec3 | null {
238
- if (!k_lattice_inv) return null
239
- return math.mat3x3_vec3_multiply(k_lattice_inv, cart)
240
- }
241
-
242
- // Throttle state for pointer move events
243
- let last_hover_time = 0
244
- let last_hover_mesh: `bz` | `ibz` | null = null
245
- const HOVER_THROTTLE_MS = 16 // ~60fps
246
-
247
- // Reset throttle when bz_data changes to ensure immediate response
248
- $effect(() => {
249
- if (bz_data) {
250
- last_hover_time = 0
251
- last_hover_mesh = null
252
- }
253
- })
254
-
255
- // Track IBZ hover state - IBZ takes priority over BZ
256
- let ibz_hovered = false
257
- $effect(() => {
258
- if (!show_ibz) {
259
- ibz_hovered = false
260
- // Clear hover tooltip if it was showing IBZ data
261
- if (hover_data?.is_ibz) hover_data = null
262
- }
263
- })
264
-
265
- // Create hover data from pointer event
266
- function create_hover_data(
267
- event: ThreltePointerEvent,
268
- is_ibz: boolean,
269
- ): BZHoverData | null {
270
- if (!bz_data) return null
271
-
272
- const position_cartesian: Vec3 = [event.point.x, event.point.y, event.point.z]
273
- const position_fractional = cartesian_to_fractional(position_cartesian)
274
-
275
- const { clientX, clientY } = event.nativeEvent
276
- const ibz_vol = ibz_data?.volume ?? null
277
- // Round to nearest integer since symmetry multiplicity is the point group order
278
- const symmetry_multiplicity = ibz_vol != null && ibz_vol > 0
279
- ? Math.round(bz_data.volume / ibz_vol)
280
- : null
281
-
282
- return {
283
- position_cartesian,
284
- position_fractional,
285
- screen_position: { x: clientX, y: clientY },
286
- is_ibz,
287
- bz_order: bz_data.order,
288
- bz_volume: bz_data.volume,
289
- ibz_volume: ibz_vol,
290
- symmetry_multiplicity,
291
- }
292
- }
293
-
294
- // Throttled hover handler - IBZ takes priority over BZ
295
- function handle_hover(event: ThreltePointerEvent, is_ibz: boolean): void {
296
- if (is_ibz) ibz_hovered = true
297
- else if (ibz_hovered) return // BZ defers to IBZ
298
-
299
- const mesh = is_ibz ? `ibz` : `bz`
300
- const now = performance.now()
301
- // Bypass throttle when switching meshes for responsive transitions
302
- if (last_hover_mesh === mesh && now - last_hover_time < HOVER_THROTTLE_MS) return
303
-
304
- last_hover_time = now
305
- last_hover_mesh = mesh
306
- hover_data = create_hover_data(event, is_ibz)
307
- }
308
-
309
- // Leave handler - IBZ clears state, BZ only clears if IBZ not hovered
310
- function handle_leave(is_ibz: boolean): void {
311
- if (is_ibz) ibz_hovered = false
312
- if (is_ibz || !ibz_hovered) hover_data = null
313
- }
314
- </script>
315
-
316
- {#if camera_projection === `perspective`}
317
- <T.PerspectiveCamera makeDefault position={computed_camera_position} {fov}>
318
- <extras.OrbitControls {...orbit_controls_props}>
319
- {#if gizmo}<extras.Gizmo {...gizmo_props} />{/if}
320
- </extras.OrbitControls>
321
- </T.PerspectiveCamera>
322
- {:else}
323
- <T.OrthographicCamera
324
- makeDefault
325
- position={computed_camera_position}
326
- zoom={initial_zoom}
327
- near={-100}
328
- >
329
- <extras.OrbitControls {...orbit_controls_props}>
330
- {#if gizmo}<extras.Gizmo {...gizmo_props} />{/if}
331
- </extras.OrbitControls>
332
- </T.OrthographicCamera>
333
- {/if}
334
-
335
- <T.DirectionalLight position={[3, 10, 10]} intensity={directional_light} />
336
- <T.AmbientLight intensity={ambient_light} />
337
-
338
- <T.Group position={rotation_target}>
339
- {#if bz_data}
340
- <!-- Brillouin zone surface mesh -->
341
- {#if bz_geometry}
342
- <T.Mesh
343
- geometry={bz_geometry}
344
- onpointermove={(e: ThreltePointerEvent) => handle_hover(e, false)}
345
- onpointerleave={() => handle_leave(false)}
346
- >
347
- <T.MeshStandardMaterial
348
- color={surface_color}
349
- transparent
350
- opacity={surface_opacity}
351
- side={2}
352
- depthWrite={false}
353
- />
354
- </T.Mesh>
355
- {/if}
356
-
357
- <!-- BZ edges -->
358
- {#each bz_data.edges as edge_segment, edge_idx (`bz-edge-${edge_idx}`)}
359
- {@const [from, to] = edge_segment}
360
- <Cylinder {from} {to} thickness={edge_width} color={edge_color} />
361
- {/each}
362
-
363
- <!-- Irreducible BZ surface mesh -->
364
- {#if show_ibz && ibz_geometry}
365
- <T.Mesh
366
- geometry={ibz_geometry}
367
- onpointermove={(e: ThreltePointerEvent) => handle_hover(e, true)}
368
- onpointerleave={() => handle_leave(true)}
369
- >
370
- <T.MeshStandardMaterial
371
- color={ibz_color}
372
- transparent
373
- opacity={ibz_opacity}
374
- side={2}
375
- depthWrite={false}
376
- />
377
- </T.Mesh>
378
- {/if}
379
-
380
- <!-- IBZ edges -->
381
- {#if show_ibz && ibz_data}
382
- {#each ibz_data.edges as edge_segment, edge_idx (`ibz-edge-${edge_idx}`)}
383
- {@const [from, to] = edge_segment}
384
- <Cylinder {from} {to} thickness={edge_width * 1.5} color={ibz_color} />
385
- {/each}
386
- {/if}
387
-
388
- <!-- Reciprocal lattice vectors -->
389
- {#if show_vectors && bz_data.k_lattice}
390
- {#each bz_data.k_lattice as vec, idx (idx)}
391
- {@const scaled_vec = vec.map((x) => x * vector_scale) as Vec3}
392
- {@const label_position = scaled_vec.map((x) => x * 1.15) as Vec3}
393
- <Arrow
394
- position={[0, 0, 0]}
395
- vector={scaled_vec}
396
- color={vector_colors[idx]}
397
- scale={1}
398
- />
399
- <!-- Vector label beyond tip -->
400
- <extras.HTML center position={label_position}>
401
- <span
402
- style:color={vector_colors[idx]}
403
- style:font-size="1.2em"
404
- >
405
- {vector_labels[idx]}
406
- </span>
407
- </extras.HTML>
408
- {/each}
409
- {/if}
410
-
411
- <!-- K-path visualization -->
412
- {#if k_path_points && k_path_points.length > 1}
413
- {#each k_path_points.slice(0, -1) as
414
- from_point,
415
- idx
416
- (`${from_point}-${k_path_points[idx + 1]}#${idx}`)
417
- }
418
- {@const to_point = k_path_points[idx + 1]}
419
- {@const is_hovered = hovered_qpoint_index !== null &&
420
- (idx === hovered_qpoint_index || idx === hovered_qpoint_index - 1)}
421
- <Cylinder
422
- from={from_point as Vec3}
423
- to={to_point as Vec3}
424
- thickness={0.08}
425
- color={is_hovered ? `#ff6b35` : `#ffcc00`}
426
- />
427
- {/each}
428
- {/if}
429
-
430
- <!-- Symmetry point spheres at labeled k-path points -->
431
- {#if k_path_labels}
432
- {#each k_path_labels as { position, label }, idx (`sphere-${idx}`)}
433
- {#if label}
434
- <T.Mesh position={[position[0], position[1], position[2]]}>
435
- <T.SphereGeometry args={[0.015, 16, 16]} />
436
- <T.MeshStandardMaterial color="#ffcc00" metalness={0.3} roughness={0.7} />
437
- </T.Mesh>
438
- {/if}
439
- {/each}
440
- {/if}
441
-
442
- <!-- Symmetry point labels on k-path -->
443
- {#if k_path_labels}
444
- {#each k_path_labels as { position, label }, idx (`${label}-${idx}`)}
445
- {#if label}
446
- <extras.HTML center position={position.map((x) => x * 1.1) as Vec3}>
447
- <span
448
- style="background: rgba(0, 0, 0, 0.3); padding: 0 3px; border-radius: 2px; color: white"
449
- >
450
- {label}
451
- </span>
452
- </extras.HTML>
453
- {/if}
454
- {/each}
455
- {/if}
456
-
457
- <!-- Hovered k-point highlight -->
458
- {#if hovered_k_point}
459
- <T.Mesh position={hovered_k_point}>
460
- <T.SphereGeometry args={[0.03, 16, 16]} />
461
- <T.MeshStandardMaterial
462
- color="#ff0000"
463
- emissive="#ff0000"
464
- emissiveIntensity={1.2}
465
- />
466
- </T.Mesh>
467
- {/if}
468
- {/if}
469
- </T.Group>
470
-
471
- <style>
472
- :global(.brillouin-zone .responsive-gizmo) {
473
- width: clamp(70px, 18cqmin, 100px) !important;
474
- height: clamp(70px, 18cqmin, 100px) !important;
475
- }
476
- </style>
@@ -1,48 +0,0 @@
1
- import type { Vec3 } from '../math';
2
- import { type CameraProjection } from '../settings';
3
- import * as extras from '@threlte/extras';
4
- import type { ComponentProps } from 'svelte';
5
- import type { Camera, Scene } from 'three';
6
- import type { BrillouinZoneData, BZHoverData, IrreducibleBZData } from './types';
7
- type $$ComponentProps = {
8
- bz_data?: BrillouinZoneData;
9
- camera_position?: Vec3 | undefined;
10
- camera_projection?: CameraProjection;
11
- surface_color?: string;
12
- surface_opacity?: number;
13
- edge_color?: string;
14
- edge_width?: number;
15
- show_vectors?: boolean;
16
- vector_scale?: number;
17
- show_ibz?: boolean;
18
- ibz_data?: IrreducibleBZData | null;
19
- ibz_color?: string;
20
- ibz_opacity?: number;
21
- rotation_damping?: number;
22
- max_zoom?: number;
23
- min_zoom?: number;
24
- rotate_speed?: number;
25
- zoom_speed?: number;
26
- pan_speed?: number;
27
- zoom_to_cursor?: boolean;
28
- fov?: number;
29
- initial_zoom?: number;
30
- ambient_light?: number;
31
- directional_light?: number;
32
- gizmo?: boolean | ComponentProps<typeof extras.Gizmo>;
33
- auto_rotate?: number;
34
- camera_is_moving?: boolean;
35
- scene?: Scene;
36
- camera?: Camera;
37
- k_path_points?: Vec3[];
38
- k_path_labels?: {
39
- position: Vec3;
40
- label: string | null;
41
- }[];
42
- hovered_k_point?: Vec3 | null;
43
- hovered_qpoint_index?: number | null;
44
- hover_data?: BZHoverData | null;
45
- };
46
- declare const BrillouinZoneScene: import("svelte").Component<$$ComponentProps, {}, "camera_position" | "camera_projection" | "vector_scale" | "camera" | "scene" | "camera_is_moving" | "surface_color" | "surface_opacity" | "edge_color" | "edge_width" | "show_vectors" | "bz_data" | "hover_data">;
47
- type BrillouinZoneScene = ReturnType<typeof BrillouinZoneScene>;
48
- export default BrillouinZoneScene;
@@ -1,92 +0,0 @@
1
- <script lang="ts">
2
- // Tooltip component for Brillouin zone hover information
3
- // Displays k-coordinates, BZ order, volume, and IBZ-specific info
4
- import { format_num, format_vec3 } from '../labels'
5
- import { TooltipContent } from '../tooltip'
6
- import type { BZHoverData, BZTooltipProp } from './types'
7
-
8
- let {
9
- hover_data,
10
- tooltip,
11
- }: {
12
- hover_data: BZHoverData
13
- tooltip?: BZTooltipProp
14
- } = $props()
15
-
16
- // Ordinal for BZ order (only 1-3 in practice)
17
- const ordinal = (num: number) => `${num}${[`th`, `st`, `nd`, `rd`][num] ?? `th`}`
18
- </script>
19
-
20
- <TooltipContent data={hover_data} snippet_arg={{ hover_data }} {tooltip}>
21
- <div class="bz-tooltip-content">
22
- <div class="bz-tooltip-title">
23
- <strong>{hover_data.is_ibz ? `Irreducible BZ` : `Brillouin Zone`}</strong>
24
- {#if hover_data.bz_order > 1}
25
- <span class="bz-tooltip-badge">{ordinal(hover_data.bz_order)}</span>
26
- {/if}
27
- </div>
28
- <div class="bz-tooltip-row">
29
- <span class="bz-tooltip-label">k (Å⁻¹):</span>
30
- <span class="bz-tooltip-value">{format_vec3(hover_data.position_cartesian)}</span>
31
- </div>
32
- {#if hover_data.position_fractional}
33
- <div class="bz-tooltip-row">
34
- <span class="bz-tooltip-label">k (frac):</span>
35
- <span class="bz-tooltip-value">{
36
- format_vec3(hover_data.position_fractional)
37
- }</span>
38
- </div>
39
- {/if}
40
- <div class="bz-tooltip-row">
41
- <span class="bz-tooltip-label">BZ Volume:</span>
42
- <span class="bz-tooltip-value">{format_num(hover_data.bz_volume, `.4~`)} Å⁻³</span>
43
- </div>
44
- {#if hover_data.is_ibz && hover_data.ibz_volume != null}
45
- <div class="bz-tooltip-row">
46
- <span class="bz-tooltip-label">IBZ Volume:</span>
47
- <span class="bz-tooltip-value">{format_num(hover_data.ibz_volume, `.4~`)}
48
- Å⁻³</span>
49
- </div>
50
- {#if hover_data.symmetry_multiplicity != null}
51
- <div class="bz-tooltip-symmetry">
52
- Symmetry: 1/{Math.round(hover_data.symmetry_multiplicity)} of BZ
53
- </div>
54
- {/if}
55
- {/if}
56
- </div>
57
- </TooltipContent>
58
-
59
- <style>
60
- .bz-tooltip-content {
61
- max-width: var(--bz-tooltip-max-width, 250px);
62
- text-align: left;
63
- }
64
- .bz-tooltip-title {
65
- margin-bottom: 4px;
66
- }
67
- .bz-tooltip-badge {
68
- font-size: 0.85em;
69
- padding: 1px 4px;
70
- border-radius: 3px;
71
- font-weight: 500;
72
- background: #666;
73
- color: white;
74
- margin-left: 6px;
75
- }
76
- .bz-tooltip-row {
77
- display: flex;
78
- gap: 4px;
79
- }
80
- .bz-tooltip-label {
81
- opacity: 0.8;
82
- min-width: 75px;
83
- }
84
- .bz-tooltip-value {
85
- font-family: monospace;
86
- }
87
- .bz-tooltip-symmetry {
88
- margin-top: 2px;
89
- opacity: 0.8;
90
- font-style: italic;
91
- }
92
- </style>
@@ -1,8 +0,0 @@
1
- import type { BZHoverData, BZTooltipProp } from './types';
2
- type $$ComponentProps = {
3
- hover_data: BZHoverData;
4
- tooltip?: BZTooltipProp;
5
- };
6
- declare const BrillouinZoneTooltip: import("svelte").Component<$$ComponentProps, {}, "">;
7
- type BrillouinZoneTooltip = ReturnType<typeof BrillouinZoneTooltip>;
8
- export default BrillouinZoneTooltip;
@@ -1,17 +0,0 @@
1
- import type { Matrix3x3, Vec3 } from '../math';
2
- import type { MoyoDataset } from '@spglib/moyo-wasm';
3
- import type { BrillouinZoneData, ConvexHullData, IrreducibleBZData } from './types';
4
- export declare function extract_point_group_from_operations(operations: MoyoDataset[`operations`]): Matrix3x3[];
5
- export declare function fractional_to_cartesian_rotation(W: Matrix3x3, k_lattice: Matrix3x3): Matrix3x3;
6
- export declare function reciprocal_lattice(real_lattice: Matrix3x3): Matrix3x3;
7
- export declare function generate_bz_vertices(k_lattice: Matrix3x3, order?: 1 | 2 | 3, max_planes_by_order?: Record<1 | 2 | 3, number>): Vec3[];
8
- export declare function compute_convex_hull(vertices: Vec3[], edge_sharp_angle_deg?: number): ConvexHullData;
9
- export declare function compute_brillouin_zone(k_lattice: Matrix3x3, order?: 1 | 2 | 3, edge_sharp_angle_deg?: number, // Angle threshold for edge extraction (default 5°, increase for fewer edges, decrease for more)
10
- max_planes_by_order?: Record<number, number>): BrillouinZoneData;
11
- type ClippingPlane = {
12
- normal: Vec3;
13
- dist: number;
14
- };
15
- export declare function compute_ibz_clipping_planes(point_group_ops: Matrix3x3[]): ClippingPlane[];
16
- export declare function compute_irreducible_bz(bz_data: BrillouinZoneData, point_group_ops: Matrix3x3[], edge_sharp_angle_deg?: number): IrreducibleBZData | null;
17
- export {};