matterviz 0.3.6 → 0.3.7

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 (863) hide show
  1. package/dist/EmptyState.svelte.d.ts +9 -0
  2. package/dist/FilePicker.svelte +360 -0
  3. package/dist/FilePicker.svelte.d.ts +17 -0
  4. package/dist/Icon.svelte.d.ts +13 -0
  5. package/dist/MillerIndexInput.svelte +66 -0
  6. package/dist/MillerIndexInput.svelte.d.ts +7 -0
  7. package/dist/api/mp.d.ts +6 -0
  8. package/dist/api/mp.js +22 -0
  9. package/dist/api/optimade.d.ts +45 -0
  10. package/dist/api/optimade.js +135 -0
  11. package/dist/brillouin/BrillouinZone.svelte +549 -0
  12. package/dist/brillouin/BrillouinZone.svelte.d.ts +83 -0
  13. package/dist/brillouin/BrillouinZoneControls.svelte +144 -0
  14. package/dist/brillouin/BrillouinZoneControls.svelte.d.ts +17 -0
  15. package/dist/brillouin/BrillouinZoneExportPane.svelte +146 -0
  16. package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +15 -0
  17. package/dist/brillouin/BrillouinZoneInfoPane.svelte +146 -0
  18. package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +13 -0
  19. package/dist/brillouin/BrillouinZoneScene.svelte +476 -0
  20. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +48 -0
  21. package/dist/brillouin/BrillouinZoneTooltip.svelte +92 -0
  22. package/dist/brillouin/BrillouinZoneTooltip.svelte.d.ts +8 -0
  23. package/dist/brillouin/compute.d.ts +17 -0
  24. package/dist/brillouin/compute.js +426 -0
  25. package/dist/brillouin/index.d.ts +8 -0
  26. package/dist/brillouin/index.js +7 -0
  27. package/dist/brillouin/types.d.ts +43 -0
  28. package/dist/brillouin/types.js +1 -0
  29. package/dist/chempot-diagram/ChemPotDiagram.svelte +327 -0
  30. package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
  31. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
  32. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
  33. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
  34. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
  35. package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
  36. package/dist/chempot-diagram/async-compute.svelte.d.ts +3 -0
  37. package/dist/chempot-diagram/async-compute.svelte.js +78 -0
  38. package/dist/chempot-diagram/chempot-worker.d.ts +1 -0
  39. package/dist/chempot-diagram/chempot-worker.js +11 -0
  40. package/dist/chempot-diagram/color.d.ts +10 -0
  41. package/dist/chempot-diagram/color.js +32 -0
  42. package/dist/chempot-diagram/compute.d.ts +48 -0
  43. package/dist/chempot-diagram/compute.js +806 -0
  44. package/dist/chempot-diagram/index.d.ts +6 -0
  45. package/dist/chempot-diagram/index.js +6 -0
  46. package/dist/chempot-diagram/pointer.d.ts +16 -0
  47. package/dist/chempot-diagram/pointer.js +40 -0
  48. package/dist/chempot-diagram/temperature.d.ts +15 -0
  49. package/dist/chempot-diagram/temperature.js +34 -0
  50. package/dist/chempot-diagram/types.d.ts +81 -0
  51. package/dist/chempot-diagram/types.js +28 -0
  52. package/dist/colors/index.d.ts +47 -0
  53. package/dist/colors/index.js +203 -0
  54. package/dist/composition/BarChart.svelte +297 -0
  55. package/dist/composition/BarChart.svelte.d.ts +39 -0
  56. package/dist/composition/BubbleChart.svelte +218 -0
  57. package/dist/composition/BubbleChart.svelte.d.ts +28 -0
  58. package/dist/composition/Composition.svelte +165 -0
  59. package/dist/composition/Composition.svelte.d.ts +15 -0
  60. package/dist/composition/Formula.svelte +268 -0
  61. package/dist/composition/Formula.svelte.d.ts +19 -0
  62. package/dist/composition/FormulaFilter.svelte +1257 -0
  63. package/dist/composition/FormulaFilter.svelte.d.ts +51 -0
  64. package/dist/composition/PieChart.svelte +323 -0
  65. package/dist/composition/PieChart.svelte.d.ts +37 -0
  66. package/dist/composition/format.d.ts +15 -0
  67. package/dist/composition/format.js +109 -0
  68. package/dist/composition/index.d.ts +20 -0
  69. package/dist/composition/index.js +14 -0
  70. package/dist/composition/parse.d.ts +56 -0
  71. package/dist/composition/parse.js +474 -0
  72. package/dist/constants.d.ts +29 -0
  73. package/dist/constants.js +99 -0
  74. package/dist/controls.d.ts +14 -0
  75. package/dist/controls.js +30 -0
  76. package/dist/convex-hull/ConvexHull.svelte +157 -0
  77. package/dist/convex-hull/ConvexHull.svelte.d.ts +13 -0
  78. package/dist/convex-hull/ConvexHull2D.svelte +825 -0
  79. package/dist/convex-hull/ConvexHull2D.svelte.d.ts +11 -0
  80. package/dist/convex-hull/ConvexHull3D.svelte +1801 -0
  81. package/dist/convex-hull/ConvexHull3D.svelte.d.ts +8 -0
  82. package/dist/convex-hull/ConvexHull4D.svelte +1398 -0
  83. package/dist/convex-hull/ConvexHull4D.svelte.d.ts +8 -0
  84. package/dist/convex-hull/ConvexHullControls.svelte +535 -0
  85. package/dist/convex-hull/ConvexHullControls.svelte.d.ts +48 -0
  86. package/dist/convex-hull/ConvexHullInfoPane.svelte +125 -0
  87. package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +20 -0
  88. package/dist/convex-hull/ConvexHullStats.svelte +929 -0
  89. package/dist/convex-hull/ConvexHullStats.svelte.d.ts +17 -0
  90. package/dist/convex-hull/ConvexHullTooltip.svelte +131 -0
  91. package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +33 -0
  92. package/dist/convex-hull/GasPressureControls.svelte +247 -0
  93. package/dist/convex-hull/GasPressureControls.svelte.d.ts +11 -0
  94. package/dist/convex-hull/StructurePopup.svelte +151 -0
  95. package/dist/convex-hull/StructurePopup.svelte.d.ts +18 -0
  96. package/dist/convex-hull/TemperatureSlider.svelte.d.ts +8 -0
  97. package/dist/convex-hull/barycentric-coords.d.ts +18 -0
  98. package/dist/convex-hull/barycentric-coords.js +182 -0
  99. package/dist/convex-hull/demo-temperature.d.ts +6 -0
  100. package/dist/convex-hull/demo-temperature.js +40 -0
  101. package/dist/convex-hull/gas-thermodynamics.d.ts +16 -0
  102. package/dist/convex-hull/gas-thermodynamics.js +314 -0
  103. package/dist/convex-hull/helpers.d.ts +114 -0
  104. package/dist/convex-hull/helpers.js +710 -0
  105. package/dist/convex-hull/index.d.ts +119 -0
  106. package/dist/convex-hull/index.js +58 -0
  107. package/dist/convex-hull/thermodynamics.d.ts +67 -0
  108. package/dist/convex-hull/thermodynamics.js +1752 -0
  109. package/dist/convex-hull/types.d.ts +162 -0
  110. package/dist/convex-hull/types.js +36 -0
  111. package/dist/coordination/CoordinationBarPlot.svelte +311 -0
  112. package/dist/coordination/CoordinationBarPlot.svelte.d.ts +30 -0
  113. package/dist/coordination/calc-coordination.d.ts +15 -0
  114. package/dist/coordination/calc-coordination.js +63 -0
  115. package/dist/coordination/index.d.ts +8 -0
  116. package/dist/coordination/index.js +7 -0
  117. package/dist/effects.svelte.d.ts +12 -0
  118. package/dist/effects.svelte.js +37 -0
  119. package/dist/element/BohrAtom.svelte.d.ts +20 -0
  120. package/dist/element/ElementHeading.svelte +26 -0
  121. package/dist/element/ElementHeading.svelte.d.ts +8 -0
  122. package/dist/element/ElementPhoto.svelte +57 -0
  123. package/dist/element/ElementPhoto.svelte.d.ts +9 -0
  124. package/dist/element/ElementStats.svelte +80 -0
  125. package/dist/element/ElementStats.svelte.d.ts +8 -0
  126. package/dist/element/ElementTile.svelte +484 -0
  127. package/dist/element/ElementTile.svelte.d.ts +29 -0
  128. package/dist/element/Nucleus.svelte.d.ts +17 -0
  129. package/dist/element/data.d.ts +2 -0
  130. package/dist/element/data.js +2 -0
  131. package/dist/element/index.d.ts +8 -0
  132. package/dist/element/index.js +7 -0
  133. package/dist/element/types.d.ts +57 -0
  134. package/dist/element/types.js +1 -0
  135. package/dist/feedback/ClickFeedback.svelte +58 -0
  136. package/dist/feedback/ClickFeedback.svelte.d.ts +12 -0
  137. package/dist/feedback/DragOverlay.svelte +42 -0
  138. package/dist/feedback/DragOverlay.svelte.d.ts +7 -0
  139. package/dist/feedback/Spinner.svelte.d.ts +7 -0
  140. package/dist/feedback/StatusMessage.svelte.d.ts +9 -0
  141. package/dist/feedback/index.d.ts +4 -0
  142. package/dist/feedback/index.js +4 -0
  143. package/dist/fermi-surface/FermiSlice.svelte +189 -0
  144. package/dist/fermi-surface/FermiSlice.svelte.d.ts +24 -0
  145. package/dist/fermi-surface/FermiSurface.svelte +600 -0
  146. package/dist/fermi-surface/FermiSurface.svelte.d.ts +83 -0
  147. package/dist/fermi-surface/FermiSurfaceControls.svelte +448 -0
  148. package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +35 -0
  149. package/dist/fermi-surface/FermiSurfaceScene.svelte +794 -0
  150. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +50 -0
  151. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
  152. package/dist/fermi-surface/FermiSurfaceTooltip.svelte.d.ts +8 -0
  153. package/dist/fermi-surface/compute.d.ts +5 -0
  154. package/dist/fermi-surface/compute.js +538 -0
  155. package/dist/fermi-surface/constants.d.ts +9 -0
  156. package/dist/fermi-surface/constants.js +27 -0
  157. package/dist/fermi-surface/export.d.ts +5 -0
  158. package/dist/fermi-surface/export.js +50 -0
  159. package/dist/fermi-surface/index.d.ts +12 -0
  160. package/dist/fermi-surface/index.js +13 -0
  161. package/dist/fermi-surface/marching-cubes.d.ts +2 -0
  162. package/dist/fermi-surface/marching-cubes.js +2 -0
  163. package/dist/fermi-surface/parse.d.ts +2 -0
  164. package/dist/fermi-surface/parse.js +491 -0
  165. package/dist/fermi-surface/symmetry.d.ts +3 -0
  166. package/dist/fermi-surface/symmetry.js +46 -0
  167. package/dist/fermi-surface/types.d.ts +110 -0
  168. package/dist/fermi-surface/types.js +4 -0
  169. package/dist/heatmap-matrix/HeatmapMatrix.svelte +1545 -0
  170. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
  171. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  172. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +30 -0
  173. package/dist/heatmap-matrix/index.d.ts +53 -0
  174. package/dist/heatmap-matrix/index.js +100 -0
  175. package/dist/heatmap-matrix/shared.d.ts +2 -0
  176. package/dist/heatmap-matrix/shared.js +4 -0
  177. package/dist/icons.d.ts +569 -0
  178. package/dist/icons.js +648 -0
  179. package/dist/index.d.ts +39 -0
  180. package/dist/index.js +39 -0
  181. package/dist/io/decompress.d.ts +11 -0
  182. package/dist/io/decompress.js +74 -0
  183. package/dist/io/export.d.ts +16 -0
  184. package/dist/io/export.js +316 -0
  185. package/dist/io/fetch.d.ts +5 -0
  186. package/dist/io/fetch.js +39 -0
  187. package/dist/io/file-drop.d.ts +7 -0
  188. package/dist/io/file-drop.js +43 -0
  189. package/dist/io/index.d.ts +7 -0
  190. package/dist/io/index.js +6 -0
  191. package/dist/io/is-binary.d.ts +1 -0
  192. package/dist/io/is-binary.js +20 -0
  193. package/dist/io/types.d.ts +8 -0
  194. package/dist/io/types.js +1 -0
  195. package/dist/io/url-drop.d.ts +2 -0
  196. package/dist/io/url-drop.js +123 -0
  197. package/dist/isosurface/Isosurface.svelte +285 -0
  198. package/dist/isosurface/Isosurface.svelte.d.ts +8 -0
  199. package/dist/isosurface/IsosurfaceControls.svelte +277 -0
  200. package/dist/isosurface/IsosurfaceControls.svelte.d.ts +9 -0
  201. package/dist/isosurface/index.d.ts +5 -0
  202. package/dist/isosurface/index.js +6 -0
  203. package/dist/isosurface/parse.d.ts +6 -0
  204. package/dist/isosurface/parse.js +553 -0
  205. package/dist/isosurface/slice.d.ts +11 -0
  206. package/dist/isosurface/slice.js +140 -0
  207. package/dist/isosurface/types.d.ts +56 -0
  208. package/dist/isosurface/types.js +227 -0
  209. package/dist/labels.d.ts +53 -0
  210. package/dist/labels.js +277 -0
  211. package/dist/layout/FullscreenToggle.svelte +50 -0
  212. package/dist/layout/FullscreenToggle.svelte.d.ts +7 -0
  213. package/dist/layout/InfoCard.svelte +120 -0
  214. package/dist/layout/InfoCard.svelte.d.ts +21 -0
  215. package/dist/layout/InfoTag.svelte +185 -0
  216. package/dist/layout/InfoTag.svelte.d.ts +19 -0
  217. package/dist/layout/PropertyFilter.svelte +246 -0
  218. package/dist/layout/PropertyFilter.svelte.d.ts +24 -0
  219. package/dist/layout/SettingsSection.svelte +148 -0
  220. package/dist/layout/SettingsSection.svelte.d.ts +17 -0
  221. package/dist/layout/SubpageGrid.svelte +82 -0
  222. package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
  223. package/dist/layout/fullscreen.d.ts +9 -0
  224. package/dist/layout/fullscreen.js +53 -0
  225. package/dist/layout/index.d.ts +10 -0
  226. package/dist/layout/index.js +8 -0
  227. package/dist/layout/json-tree/JsonNode.svelte +548 -0
  228. package/dist/layout/json-tree/JsonNode.svelte.d.ts +11 -0
  229. package/dist/layout/json-tree/JsonTree.svelte +1230 -0
  230. package/dist/layout/json-tree/JsonTree.svelte.d.ts +6 -0
  231. package/dist/layout/json-tree/JsonValue.svelte.d.ts +9 -0
  232. package/dist/layout/json-tree/index.d.ts +3 -0
  233. package/dist/layout/json-tree/index.js +3 -0
  234. package/dist/layout/json-tree/types.d.ts +74 -0
  235. package/dist/layout/json-tree/types.js +2 -0
  236. package/dist/layout/json-tree/utils.d.ts +29 -0
  237. package/dist/layout/json-tree/utils.js +641 -0
  238. package/dist/marching-cubes.d.ts +14 -0
  239. package/dist/marching-cubes.js +540 -0
  240. package/dist/math.d.ts +101 -0
  241. package/dist/math.js +905 -0
  242. package/dist/overlays/ContextMenu.svelte +162 -0
  243. package/dist/overlays/ContextMenu.svelte.d.ts +25 -0
  244. package/dist/overlays/CopyButton.svelte +45 -0
  245. package/dist/overlays/CopyButton.svelte.d.ts +8 -0
  246. package/dist/overlays/DragControlTab.svelte +98 -0
  247. package/dist/overlays/DragControlTab.svelte.d.ts +8 -0
  248. package/dist/overlays/DraggablePane.svelte +487 -0
  249. package/dist/overlays/DraggablePane.svelte.d.ts +36 -0
  250. package/dist/overlays/InfoPaneCards.svelte +149 -0
  251. package/dist/overlays/InfoPaneCards.svelte.d.ts +22 -0
  252. package/dist/overlays/index.d.ts +3 -0
  253. package/dist/overlays/index.js +3 -0
  254. package/dist/periodic-table/PeriodicTable.svelte +469 -0
  255. package/dist/periodic-table/PeriodicTable.svelte.d.ts +55 -0
  256. package/dist/periodic-table/PeriodicTableControls.svelte +557 -0
  257. package/dist/periodic-table/PeriodicTableControls.svelte.d.ts +24 -0
  258. package/dist/periodic-table/PropertySelect.svelte +37 -0
  259. package/dist/periodic-table/PropertySelect.svelte.d.ts +13 -0
  260. package/dist/periodic-table/TableInset.svelte.d.ts +9 -0
  261. package/dist/periodic-table/index.d.ts +10 -0
  262. package/dist/periodic-table/index.js +4 -0
  263. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
  264. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +44 -0
  265. package/dist/phase-diagram/PhaseDiagramControls.svelte +444 -0
  266. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +30 -0
  267. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
  268. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
  269. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
  270. package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +19 -0
  271. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
  272. package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +16 -0
  273. package/dist/phase-diagram/TdbInfoPanel.svelte +203 -0
  274. package/dist/phase-diagram/TdbInfoPanel.svelte.d.ts +12 -0
  275. package/dist/phase-diagram/build-diagram.d.ts +11 -0
  276. package/dist/phase-diagram/build-diagram.js +160 -0
  277. package/dist/phase-diagram/colors.d.ts +35 -0
  278. package/dist/phase-diagram/colors.js +51 -0
  279. package/dist/phase-diagram/diagram-input.d.ts +29 -0
  280. package/dist/phase-diagram/diagram-input.js +3 -0
  281. package/dist/phase-diagram/index.d.ts +13 -0
  282. package/dist/phase-diagram/index.js +11 -0
  283. package/dist/phase-diagram/parse.d.ts +55 -0
  284. package/dist/phase-diagram/parse.js +272 -0
  285. package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
  286. package/dist/phase-diagram/svg-to-diagram.js +867 -0
  287. package/dist/phase-diagram/types.d.ts +93 -0
  288. package/dist/phase-diagram/types.js +1 -0
  289. package/dist/phase-diagram/utils.d.ts +118 -0
  290. package/dist/phase-diagram/utils.js +604 -0
  291. package/dist/plot/AxisLabel.svelte +51 -0
  292. package/dist/plot/AxisLabel.svelte.d.ts +16 -0
  293. package/dist/plot/BarPlot.svelte +2113 -0
  294. package/dist/plot/BarPlot.svelte.d.ts +84 -0
  295. package/dist/plot/BarPlotControls.svelte +66 -0
  296. package/dist/plot/BarPlotControls.svelte.d.ts +18 -0
  297. package/dist/plot/BinnedScatterPlot.svelte +1114 -0
  298. package/dist/plot/BinnedScatterPlot.svelte.d.ts +66 -0
  299. package/dist/plot/ColorBar.svelte +721 -0
  300. package/dist/plot/ColorBar.svelte.d.ts +31 -0
  301. package/dist/plot/ColorScaleSelect.svelte +54 -0
  302. package/dist/plot/ColorScaleSelect.svelte.d.ts +15 -0
  303. package/dist/plot/ElementScatter.svelte +63 -0
  304. package/dist/plot/ElementScatter.svelte.d.ts +14 -0
  305. package/dist/plot/FillArea.svelte.d.ts +21 -0
  306. package/dist/plot/Histogram.svelte +1558 -0
  307. package/dist/plot/Histogram.svelte.d.ts +50 -0
  308. package/dist/plot/HistogramControls.svelte +212 -0
  309. package/dist/plot/HistogramControls.svelte.d.ts +22 -0
  310. package/dist/plot/InteractiveAxisLabel.svelte +96 -0
  311. package/dist/plot/InteractiveAxisLabel.svelte.d.ts +14 -0
  312. package/dist/plot/Line.svelte +84 -0
  313. package/dist/plot/Line.svelte.d.ts +15 -0
  314. package/dist/plot/PlotAxis.svelte +169 -0
  315. package/dist/plot/PlotAxis.svelte.d.ts +24 -0
  316. package/dist/plot/PlotControls.svelte +537 -0
  317. package/dist/plot/PlotControls.svelte.d.ts +4 -0
  318. package/dist/plot/PlotLegend.svelte +569 -0
  319. package/dist/plot/PlotLegend.svelte.d.ts +29 -0
  320. package/dist/plot/PlotTooltip.svelte +67 -0
  321. package/dist/plot/PlotTooltip.svelte.d.ts +17 -0
  322. package/dist/plot/PortalSelect.svelte +253 -0
  323. package/dist/plot/PortalSelect.svelte.d.ts +16 -0
  324. package/dist/plot/ReferenceLine.svelte.d.ts +20 -0
  325. package/dist/plot/ReferenceLine3D.svelte +156 -0
  326. package/dist/plot/ReferenceLine3D.svelte.d.ts +14 -0
  327. package/dist/plot/ReferencePlane.svelte +175 -0
  328. package/dist/plot/ReferencePlane.svelte.d.ts +14 -0
  329. package/dist/plot/ScatterPlot.svelte +2778 -0
  330. package/dist/plot/ScatterPlot.svelte.d.ts +96 -0
  331. package/dist/plot/ScatterPlot3D.svelte +529 -0
  332. package/dist/plot/ScatterPlot3D.svelte.d.ts +95 -0
  333. package/dist/plot/ScatterPlot3DControls.svelte +437 -0
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  677. package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +0 -184
  678. package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +0 -391
  679. package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +0 -203
  680. package/dist/src/lib/phase-diagram/build-diagram.ts +0 -186
  681. package/dist/src/lib/phase-diagram/colors.ts +0 -58
  682. package/dist/src/lib/phase-diagram/diagram-input.ts +0 -40
  683. package/dist/src/lib/phase-diagram/index.ts +0 -13
  684. package/dist/src/lib/phase-diagram/parse.ts +0 -348
  685. package/dist/src/lib/phase-diagram/svg-to-diagram.ts +0 -1023
  686. package/dist/src/lib/phase-diagram/types.ts +0 -144
  687. package/dist/src/lib/phase-diagram/utils.ts +0 -775
  688. package/dist/src/lib/plot/AxisLabel.svelte +0 -51
  689. package/dist/src/lib/plot/BarPlot.svelte +0 -2113
  690. package/dist/src/lib/plot/BarPlotControls.svelte +0 -66
  691. package/dist/src/lib/plot/BinnedScatterPlot.svelte +0 -1114
  692. package/dist/src/lib/plot/ColorBar.svelte +0 -721
  693. package/dist/src/lib/plot/ColorScaleSelect.svelte +0 -54
  694. package/dist/src/lib/plot/ElementScatter.svelte +0 -63
  695. package/dist/src/lib/plot/Histogram.svelte +0 -1558
  696. package/dist/src/lib/plot/HistogramControls.svelte +0 -212
  697. package/dist/src/lib/plot/InteractiveAxisLabel.svelte +0 -96
  698. package/dist/src/lib/plot/Line.svelte +0 -84
  699. package/dist/src/lib/plot/PlotAxis.svelte +0 -169
  700. package/dist/src/lib/plot/PlotControls.svelte +0 -537
  701. package/dist/src/lib/plot/PlotLegend.svelte +0 -569
  702. package/dist/src/lib/plot/PlotTooltip.svelte +0 -67
  703. package/dist/src/lib/plot/PortalSelect.svelte +0 -253
  704. package/dist/src/lib/plot/ReferenceLine3D.svelte +0 -156
  705. package/dist/src/lib/plot/ReferencePlane.svelte +0 -175
  706. package/dist/src/lib/plot/ScatterPlot.svelte +0 -2778
  707. package/dist/src/lib/plot/ScatterPlot3D.svelte +0 -529
  708. package/dist/src/lib/plot/ScatterPlot3DControls.svelte +0 -437
  709. package/dist/src/lib/plot/ScatterPlot3DScene.svelte +0 -912
  710. package/dist/src/lib/plot/ScatterPlotControls.svelte +0 -306
  711. package/dist/src/lib/plot/ScatterPoint.svelte +0 -182
  712. package/dist/src/lib/plot/SpacegroupBarPlot.svelte +0 -293
  713. package/dist/src/lib/plot/Surface3D.svelte +0 -197
  714. package/dist/src/lib/plot/ZeroLines.svelte +0 -97
  715. package/dist/src/lib/plot/ZoomRect.svelte +0 -23
  716. package/dist/src/lib/plot/adaptive-density.ts +0 -316
  717. package/dist/src/lib/plot/auto-place.ts +0 -184
  718. package/dist/src/lib/plot/axis-utils.ts +0 -122
  719. package/dist/src/lib/plot/binned-scatter-types.ts +0 -83
  720. package/dist/src/lib/plot/data-cleaning.ts +0 -1069
  721. package/dist/src/lib/plot/data-transform.ts +0 -69
  722. package/dist/src/lib/plot/defaults.ts +0 -9
  723. package/dist/src/lib/plot/fill-utils.ts +0 -494
  724. package/dist/src/lib/plot/hover-lock.svelte.ts +0 -60
  725. package/dist/src/lib/plot/index.ts +0 -53
  726. package/dist/src/lib/plot/interactions.ts +0 -119
  727. package/dist/src/lib/plot/layout.ts +0 -425
  728. package/dist/src/lib/plot/reference-line.ts +0 -426
  729. package/dist/src/lib/plot/scales.ts +0 -654
  730. package/dist/src/lib/plot/svg.ts +0 -23
  731. package/dist/src/lib/plot/types.ts +0 -1144
  732. package/dist/src/lib/plot/utils/label-placement.ts +0 -541
  733. package/dist/src/lib/plot/utils/series-visibility.ts +0 -140
  734. package/dist/src/lib/plot/utils.ts +0 -11
  735. package/dist/src/lib/rdf/RdfPlot.svelte +0 -247
  736. package/dist/src/lib/rdf/calc-rdf.ts +0 -167
  737. package/dist/src/lib/rdf/index.ts +0 -27
  738. package/dist/src/lib/sanitize.ts +0 -126
  739. package/dist/src/lib/settings.ts +0 -1479
  740. package/dist/src/lib/spectral/Bands.svelte +0 -1040
  741. package/dist/src/lib/spectral/BandsAndDos.svelte +0 -134
  742. package/dist/src/lib/spectral/BrillouinBandsDos.svelte +0 -252
  743. package/dist/src/lib/spectral/Dos.svelte +0 -697
  744. package/dist/src/lib/spectral/helpers.ts +0 -1381
  745. package/dist/src/lib/spectral/index.ts +0 -8
  746. package/dist/src/lib/spectral/types.ts +0 -112
  747. package/dist/src/lib/state.svelte.ts +0 -64
  748. package/dist/src/lib/structure/Arrow.svelte +0 -72
  749. package/dist/src/lib/structure/AtomLegend.svelte +0 -815
  750. package/dist/src/lib/structure/Bond.svelte +0 -140
  751. package/dist/src/lib/structure/CanvasTooltip.svelte +0 -33
  752. package/dist/src/lib/structure/CellSelect.svelte +0 -349
  753. package/dist/src/lib/structure/Cylinder.svelte +0 -45
  754. package/dist/src/lib/structure/Lattice.svelte +0 -196
  755. package/dist/src/lib/structure/Structure.svelte +0 -2248
  756. package/dist/src/lib/structure/StructureControls.svelte +0 -1273
  757. package/dist/src/lib/structure/StructureExportPane.svelte +0 -252
  758. package/dist/src/lib/structure/StructureInfoPane.svelte +0 -737
  759. package/dist/src/lib/structure/StructureScene.svelte +0 -2255
  760. package/dist/src/lib/structure/atom-properties.ts +0 -316
  761. package/dist/src/lib/structure/bond-order-perception.ts +0 -447
  762. package/dist/src/lib/structure/bonding.ts +0 -944
  763. package/dist/src/lib/structure/export.ts +0 -861
  764. package/dist/src/lib/structure/index.ts +0 -291
  765. package/dist/src/lib/structure/label-placement.ts +0 -130
  766. package/dist/src/lib/structure/measure.ts +0 -45
  767. package/dist/src/lib/structure/parse.ts +0 -1705
  768. package/dist/src/lib/structure/partial-occupancy.ts +0 -183
  769. package/dist/src/lib/structure/pbc.ts +0 -164
  770. package/dist/src/lib/structure/supercell.ts +0 -226
  771. package/dist/src/lib/structure/validation.ts +0 -11
  772. package/dist/src/lib/symmetry/SymmetryStats.svelte +0 -226
  773. package/dist/src/lib/symmetry/WyckoffTable.svelte +0 -120
  774. package/dist/src/lib/symmetry/cell-transform.ts +0 -118
  775. package/dist/src/lib/symmetry/index.ts +0 -348
  776. package/dist/src/lib/symmetry/spacegroups.ts +0 -404
  777. package/dist/src/lib/table/HeatmapTable.svelte +0 -1833
  778. package/dist/src/lib/table/ToggleMenu.svelte +0 -385
  779. package/dist/src/lib/table/index.ts +0 -139
  780. package/dist/src/lib/theme/ThemeControl.svelte +0 -53
  781. package/dist/src/lib/theme/index.ts +0 -107
  782. package/dist/src/lib/time.ts +0 -71
  783. package/dist/src/lib/tooltip/TooltipContent.svelte +0 -58
  784. package/dist/src/lib/tooltip/index.ts +0 -2
  785. package/dist/src/lib/tooltip/types.ts +0 -13
  786. package/dist/src/lib/trajectory/Trajectory.svelte +0 -1545
  787. package/dist/src/lib/trajectory/TrajectoryError.svelte +0 -128
  788. package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +0 -357
  789. package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +0 -313
  790. package/dist/src/lib/trajectory/constants.ts +0 -7
  791. package/dist/src/lib/trajectory/extract.ts +0 -196
  792. package/dist/src/lib/trajectory/format-detect.ts +0 -96
  793. package/dist/src/lib/trajectory/frame-reader.ts +0 -456
  794. package/dist/src/lib/trajectory/helpers.ts +0 -217
  795. package/dist/src/lib/trajectory/index.ts +0 -218
  796. package/dist/src/lib/trajectory/parse/ase.ts +0 -109
  797. package/dist/src/lib/trajectory/parse/hdf5.ts +0 -173
  798. package/dist/src/lib/trajectory/parse/index.ts +0 -411
  799. package/dist/src/lib/trajectory/parse/lammps.ts +0 -215
  800. package/dist/src/lib/trajectory/parse/vasp.ts +0 -102
  801. package/dist/src/lib/trajectory/parse/xyz.ts +0 -143
  802. package/dist/src/lib/trajectory/plotting.ts +0 -599
  803. package/dist/src/lib/trajectory/types.ts +0 -13
  804. package/dist/src/lib/utils.ts +0 -56
  805. package/dist/src/lib/xrd/XrdPlot.svelte +0 -615
  806. package/dist/src/lib/xrd/broadening.ts +0 -130
  807. package/dist/src/lib/xrd/calc-xrd.ts +0 -397
  808. package/dist/src/lib/xrd/index.ts +0 -38
  809. package/dist/src/lib/xrd/parse.ts +0 -858
  810. package/dist/webview.js +0 -29421
  811. package/icon.png +0 -0
  812. package/matterviz-0.3.2.vsix +0 -0
  813. package/matterviz-0.3.4.vsix +0 -0
  814. package/matterviz-0.3.5.vsix +0 -0
  815. package/scripts/sync-config.ts +0 -101
  816. package/src/declarations.d.ts +0 -2
  817. package/src/extension.ts +0 -972
  818. package/src/node-io.ts +0 -65
  819. package/src/types.ts +0 -17
  820. package/src/webview/JsonBrowser.svelte +0 -1079
  821. package/src/webview/PlotPanel.svelte +0 -346
  822. package/src/webview/detect.ts +0 -444
  823. package/src/webview/main.ts +0 -764
  824. package/src/webview/plot-utils.ts +0 -250
  825. package/test-fixtures/all-viz-types.json.gz +0 -0
  826. package/test-fixtures/plot-demo-data.json.gz +0 -0
  827. package/tests/detect.test.ts +0 -604
  828. package/tests/extension.test.ts +0 -2041
  829. package/tests/node-io.test.ts +0 -39
  830. package/tests/plot-utils.test.ts +0 -302
  831. package/tests/vite-plugin-json-gz.test.ts +0 -114
  832. package/tests/vscode-mock.ts +0 -18
  833. package/tests/webview.test.ts +0 -231
  834. package/tsconfig.json +0 -20
  835. package/vite-plugin-json-gz.ts +0 -29
  836. package/vite.config.ts +0 -34
  837. package/vite.extension.config.ts +0 -34
  838. /package/dist/{src/lib/EmptyState.svelte → EmptyState.svelte} +0 -0
  839. /package/dist/{src/lib/Icon.svelte → Icon.svelte} +0 -0
  840. /package/dist/{src/lib/app.css → app.css} +0 -0
  841. /package/dist/{src/lib/chempot-diagram → chempot-diagram}/ChemPotScene3D.svelte +0 -0
  842. /package/dist/{src/lib/colors → colors}/alloy-colors.json +0 -0
  843. /package/dist/{src/lib/colors → colors}/dark-mode-colors.json +0 -0
  844. /package/dist/{src/lib/colors → colors}/jmol-colors.json +0 -0
  845. /package/dist/{src/lib/colors → colors}/muted-colors.json +0 -0
  846. /package/dist/{src/lib/colors → colors}/pastel-colors.json +0 -0
  847. /package/dist/{src/lib/colors → colors}/vesta-colors.json +0 -0
  848. /package/dist/{src/lib/convex-hull → convex-hull}/TemperatureSlider.svelte +0 -0
  849. /package/dist/{src/lib/element → element}/BohrAtom.svelte +0 -0
  850. /package/dist/{src/lib/element → element}/Nucleus.svelte +0 -0
  851. /package/dist/{src/lib/element → element}/data.json +0 -0
  852. /package/dist/{src/lib/element → element}/data.json.gz +0 -0
  853. /package/dist/{src/lib/element → element}/data.json.gz.d.ts +0 -0
  854. /package/dist/{src/lib/element → element}/data.schema.json +0 -0
  855. /package/dist/{src/lib/element-image-urls.json → element-image-urls.json} +0 -0
  856. /package/dist/{src/lib/feedback → feedback}/Spinner.svelte +0 -0
  857. /package/dist/{src/lib/feedback → feedback}/StatusMessage.svelte +0 -0
  858. /package/dist/{src/lib/layout → layout}/json-tree/JsonValue.svelte +0 -0
  859. /package/dist/{src/lib/periodic-table → periodic-table}/TableInset.svelte +0 -0
  860. /package/dist/{src/lib/plot → plot}/FillArea.svelte +0 -0
  861. /package/dist/{src/lib/plot → plot}/ReferenceLine.svelte +0 -0
  862. /package/dist/{src/lib/theme → theme}/themes.mjs +0 -0
  863. /package/dist/{src/lib/xrd → xrd}/atomic_scattering_params.json +0 -0
@@ -0,0 +1,737 @@
1
+ <script lang="ts">
2
+ import { get_electro_neg_formula } from '../composition'
3
+ import { element_data, type ElementSymbol } from '../element'
4
+ import Icon from '../Icon.svelte'
5
+ import { format_num } from '../labels'
6
+ import type { InfoItem } from '../layout'
7
+ import CopyButton from '../overlays/CopyButton.svelte'
8
+ import DraggablePane from '../overlays/DraggablePane.svelte'
9
+ import { sanitize_html } from '../sanitize'
10
+ import { colors } from '../state.svelte'
11
+ import type { AnyStructure, Site } from './'
12
+ import { get_density } from './'
13
+ import { wyckoff_positions_from_moyo, WyckoffTable } from '../symmetry'
14
+ import type { MoyoDataset } from '@spglib/moyo-wasm'
15
+ import type { ComponentProps } from 'svelte'
16
+ import type { HTMLAttributes } from 'svelte/elements'
17
+ import { SvelteSet } from 'svelte/reactivity'
18
+
19
+ type SiteDetail = {
20
+ label: string
21
+ value: string
22
+ key: string
23
+ tooltip?: string
24
+ }
25
+ type SiteCard = {
26
+ idx: number
27
+ element: string
28
+ element_name: string
29
+ title: string
30
+ details: SiteDetail[]
31
+ search_text: string
32
+ }
33
+
34
+ const SITE_WINDOW_SIZE = 100
35
+ const USAGE_TIP_ITEMS: InfoItem[] = [
36
+ {
37
+ label: `File Drop`,
38
+ value: `Drop POSCAR, XYZ, CIF or JSON files to load structures`,
39
+ },
40
+ {
41
+ label: `Atom Selection`,
42
+ value:
43
+ `Click atoms to select them, then pick distance or angle mode to measure all pairwise distances/angles`,
44
+ },
45
+ {
46
+ label: `Navigation`,
47
+ value: `Hold Shift/Cmd/Ctrl + drag to pan the scene`,
48
+ },
49
+ {
50
+ label: `Camera Reset`,
51
+ value: `Double-click anywhere to reset camera to default view`,
52
+ },
53
+ {
54
+ label: `Colors`,
55
+ value:
56
+ `Click legend labels to change colors, double-click to reset, right-click to remap elements`,
57
+ },
58
+ {
59
+ label: `Keyboard`,
60
+ value: `Press 'f' for fullscreen, 'i' to toggle this pane`,
61
+ },
62
+ ]
63
+
64
+ let {
65
+ structure,
66
+ pane_open = $bindable(false),
67
+ atom_count_thresholds = [50, 500],
68
+ toggle_props = {},
69
+ pane_props = {},
70
+ highlighted_sites = $bindable([]),
71
+ hovered_site_idx = $bindable(null),
72
+ selected_sites = $bindable([]),
73
+ sym_data = null,
74
+ ...rest
75
+ }: Omit<HTMLAttributes<HTMLDivElement>, `onclose`> & {
76
+ structure: AnyStructure
77
+ pane_open?: boolean
78
+ atom_count_thresholds?: [number, number] // if atom count is less than min_threshold, show sites, if atom count is greater than max_threshold, hide sites. in between, show sites behind a toggle button.
79
+ toggle_props?: ComponentProps<typeof DraggablePane>[`toggle_props`]
80
+ pane_props?: ComponentProps<typeof DraggablePane>[`pane_props`]
81
+ highlighted_sites?: number[] // Sites highlighted from Wyckoff table hover
82
+ hovered_site_idx?: number | null // Site hovered in this pane or in the 3D scene
83
+ selected_sites?: number[] // Sites selected from Wyckoff table click
84
+ sym_data?: MoyoDataset | null // Symmetry analysis data (bindable for external access)
85
+ } = $props()
86
+
87
+ let copied_items = new SvelteSet<string>()
88
+ let sites_expanded = $state(false)
89
+ let site_filter = $state(``)
90
+ let site_window_start = $state(0)
91
+ let site_cards_el = $state<HTMLDivElement>()
92
+
93
+ async function copy_to_clipboard(label: string, value: string, key: string) {
94
+ try {
95
+ await navigator.clipboard.writeText(`${label}: ${value}`)
96
+ copied_items.add(key)
97
+ setTimeout(() => copied_items.delete(key), 1000)
98
+ } catch (error) {
99
+ console.error(`Failed to copy to clipboard:`, error)
100
+ }
101
+ }
102
+
103
+ function copy_event(
104
+ event: MouseEvent,
105
+ label: string,
106
+ value: string,
107
+ key: string,
108
+ ) {
109
+ event.stopPropagation()
110
+ copy_to_clipboard(label, value, key)
111
+ }
112
+
113
+ function copy_info_item(item: InfoItem) {
114
+ copy_to_clipboard(item.label, String(item.value), item.key ?? item.label)
115
+ }
116
+
117
+ function set_site_hover(site_idx: number | null) {
118
+ highlighted_sites = site_idx === null ? [] : [site_idx]
119
+ hovered_site_idx = site_idx
120
+ }
121
+
122
+ function select_site(site_idx: number, event?: MouseEvent | KeyboardEvent) {
123
+ if (event?.shiftKey) {
124
+ selected_sites = selected_sites.includes(site_idx)
125
+ ? selected_sites.filter((idx) => idx !== site_idx)
126
+ : [...selected_sites, site_idx]
127
+ return
128
+ }
129
+ selected_sites = selected_sites.length === 1 && selected_sites[0] === site_idx
130
+ ? []
131
+ : [site_idx]
132
+ }
133
+
134
+ function update_site_filter(event: Event): void {
135
+ if (!(event.currentTarget instanceof HTMLInputElement)) return
136
+ site_filter = event.currentTarget.value
137
+ site_window_start = 0
138
+ }
139
+
140
+ function handle_site_keydown(
141
+ event: KeyboardEvent & { currentTarget: HTMLDivElement },
142
+ card: SiteCard,
143
+ ) {
144
+ const plain_key = !event.altKey && !event.ctrlKey && !event.metaKey
145
+ if ([`Enter`, ` `].includes(event.key)) {
146
+ event.preventDefault()
147
+ select_site(card.idx, event)
148
+ return
149
+ }
150
+ if (event.key === `c` && plain_key) {
151
+ event.preventDefault()
152
+ copy_to_clipboard(card.title, site_summary(card), `site-${card.idx}-summary`)
153
+ return
154
+ }
155
+ if (![`ArrowDown`, `ArrowUp`].includes(event.key)) return
156
+ event.preventDefault()
157
+ const current_card = event.currentTarget
158
+ const sibling_cards = Array.from(
159
+ current_card.parentElement?.querySelectorAll<HTMLDivElement>(`.site-card`) ?? [],
160
+ )
161
+ const current_idx = sibling_cards.indexOf(current_card)
162
+ const next_idx = event.key === `ArrowDown`
163
+ ? Math.min(current_idx + 1, sibling_cards.length - 1)
164
+ : Math.max(current_idx - 1, 0)
165
+ sibling_cards[next_idx]?.focus()
166
+ }
167
+
168
+ const get_element_name = (element: string): string =>
169
+ element_data?.find((element_record) => element_record.symbol === element)?.name || element
170
+
171
+ function site_summary(card: SiteCard): string {
172
+ return [
173
+ card.element_name,
174
+ ...card.details.map(({ label, value }) => `${label}: ${value}`),
175
+ ].join(`; `)
176
+ }
177
+
178
+ function format_site_property(prop_key: string, prop_value: unknown): SiteDetail | null {
179
+ if (prop_value == null) return null
180
+ const format_numeric_value = (value: unknown, format = `.3~f`): string | null => {
181
+ const numeric_value = Number(value)
182
+ return Number.isNaN(numeric_value) ? null : format_num(numeric_value, format)
183
+ }
184
+ const format_value_list = (values: unknown[]): string =>
185
+ `(${values.map((value) => format_numeric_value(value) ?? String(value)).join(`, `)})`
186
+ let tooltip: string | undefined
187
+
188
+ if (
189
+ prop_key === `force` && Array.isArray(prop_value) &&
190
+ prop_value.length === 3 && prop_value.every((value) => typeof value === `number`)
191
+ ) {
192
+ const force_values = prop_value as [number, number, number]
193
+ const value = `${format_num(Math.hypot(...force_values), `.3~f`)} eV/Å`
194
+ tooltip = `Force vector: ${
195
+ force_values.map((force) => format_num(force, `.3~f`)).join(`, `)
196
+ } eV/Å`
197
+ return { label: prop_key, value, key: prop_key, tooltip }
198
+ }
199
+ if (prop_key === `magmom` || prop_key.includes(`magnet`)) {
200
+ const formatted_value = format_numeric_value(prop_value)
201
+ if (!formatted_value) return null
202
+ tooltip = `Magnetic moment in Bohr magnetons`
203
+ return { label: prop_key, value: `${formatted_value} μB`, key: prop_key, tooltip }
204
+ }
205
+
206
+ const value = Array.isArray(prop_value)
207
+ ? format_value_list(prop_value)
208
+ : format_numeric_value(prop_value) ?? String(prop_value)
209
+ return { label: prop_key, value, key: prop_key }
210
+ }
211
+
212
+ let pane_data = $derived.by(() => {
213
+ if (!structure) return []
214
+ const sections: { title: string; items: InfoItem[] }[] = []
215
+
216
+ // Structure Info
217
+ const structure_items: InfoItem[] = [
218
+ {
219
+ label: `Formula`,
220
+ value: `${get_electro_neg_formula(structure)} (${structure.sites.length} sites)`,
221
+ key: `structure-formula`,
222
+ },
223
+ {
224
+ label: `Charge`,
225
+ value: `${structure.charge || 0}e`,
226
+ key: `structure-charge`,
227
+ },
228
+ ]
229
+
230
+ if (`properties` in structure) {
231
+ for (const [key, value] of Object.entries(structure.properties ?? {})) {
232
+ // Only display scalar values (skip arrays and objects)
233
+ if (value == null || typeof value === `object`) continue
234
+ structure_items.push({
235
+ label: key.replace(/_/g, ` `).replace(/\b\w/g, (char) => char.toUpperCase()),
236
+ value: String(value),
237
+ key: `structure-prop-${key}`,
238
+ })
239
+ }
240
+ }
241
+ sections.push({ title: `Structure`, items: structure_items })
242
+
243
+ // Cell Info
244
+ if (`lattice` in structure) {
245
+ const { a, b, c, alpha, beta, gamma, volume } = structure.lattice
246
+ sections.push({
247
+ title: `Cell`,
248
+ items: [
249
+ {
250
+ label: `Volume, Density`,
251
+ value: `${format_num(volume, `.3~s`)} ų, ${format_num(get_density(structure), `.3~f`)} g/cm³`,
252
+ key: `cell-volume-density`,
253
+ },
254
+ {
255
+ label: `a, b, c`,
256
+ value: `${format_num(a, `.4~f`)}, ${format_num(b, `.4~f`)}, ${format_num(c, `.4~f`)} Å`,
257
+ key: `cell-abc`,
258
+ },
259
+ {
260
+ label: `α, β, γ`,
261
+ value: `${format_num(alpha, `.2~f`)}°, ${format_num(beta, `.2~f`)}°, ${format_num(gamma, `.2~f`)}°`,
262
+ key: `cell-angles`,
263
+ },
264
+ ],
265
+ })
266
+ }
267
+
268
+ // Symmetry Info
269
+ if (`lattice` in structure && sym_data) {
270
+ const { operations } = sym_data
271
+ let translations = 0, rotations = 0, roto_translations = 0
272
+ for (const op of operations) {
273
+ const has_translation = op.translation.some((offset) => offset !== 0)
274
+ const is_identity = String(op.rotation) === `1,0,0,0,1,0,0,0,1`
275
+ if (is_identity && has_translation) translations++
276
+ else if (!has_translation) rotations++
277
+ else roto_translations++
278
+ }
279
+
280
+ const international_symbol = (sym_data as MoyoDataset & {
281
+ international_short?: string
282
+ }).international_short
283
+ const space_group_symbol = (sym_data.hm_symbol ?? international_symbol)
284
+ ?.replace(
285
+ /\s+/g,
286
+ ``,
287
+ )
288
+ const space_group_value = space_group_symbol
289
+ ? `${sym_data.number} (${space_group_symbol})`
290
+ : String(sym_data.number)
291
+
292
+ sections.push({
293
+ title: `Symmetry`,
294
+ items: [
295
+ { label: `Space Group`, value: space_group_value, key: `symmetry-space-group` },
296
+ { label: `Hall Number`, value: String(sym_data.hall_number), key: `symmetry-hall-number` },
297
+ { label: `Pearson Symbol`, value: sym_data.pearson_symbol, key: `symmetry-pearson-symbol` },
298
+ {
299
+ label: `Symmetry Ops`,
300
+ value: `${operations.length} (${translations} trans, ${rotations} rot, ${roto_translations} roto-trans)`,
301
+ key: `symmetry-operations-total`,
302
+ },
303
+ ],
304
+ })
305
+ }
306
+
307
+ return sections
308
+ })
309
+
310
+ let atom_count = $derived(structure?.sites.length ?? 0)
311
+ let sites_allowed_by_threshold = $derived(atom_count <= atom_count_thresholds[1])
312
+ let sites_need_toggle = $derived(
313
+ sites_allowed_by_threshold && atom_count >= atom_count_thresholds[0],
314
+ )
315
+ let site_cards_visible = $derived(
316
+ sites_allowed_by_threshold && (!sites_need_toggle || sites_expanded),
317
+ )
318
+
319
+ let site_cards = $derived.by((): SiteCard[] => {
320
+ if (!structure || !site_cards_visible) return []
321
+ return structure.sites.map((site: Site, idx: number) => {
322
+ const element = site.species?.[0]?.element || `Unknown`
323
+ const element_name = get_element_name(element)
324
+ const details: SiteDetail[] = []
325
+ for (const [label, key, coords, unit] of [
326
+ [`Fractional`, `fractional`, site.abc, ``],
327
+ [`Cartesian`, `cartesian`, site.xyz, ` Å`],
328
+ ] as const) {
329
+ if (!coords) continue
330
+ details.push({
331
+ label,
332
+ key,
333
+ value: `(${coords.map((coord) => format_num(coord, `.4~f`)).join(`, `)})${unit}`,
334
+ })
335
+ }
336
+ if (site.properties) {
337
+ for (const [prop_key, prop_value] of Object.entries(site.properties)) {
338
+ const detail = format_site_property(prop_key, prop_value)
339
+ if (detail) details.push(detail)
340
+ }
341
+ }
342
+ const title = `${element}${idx + 1}`
343
+ return {
344
+ idx,
345
+ element,
346
+ element_name,
347
+ title,
348
+ details,
349
+ search_text: `${title} ${element} ${element_name} ${
350
+ details.map(({ label, value }) => `${label} ${value}`).join(` `)
351
+ }`.toLowerCase(),
352
+ }
353
+ })
354
+ })
355
+
356
+ let visible_site_cards = $derived.by(() => {
357
+ const filter = site_filter.trim().toLowerCase()
358
+ if (!filter) return site_cards
359
+ return site_cards.filter(({ search_text }) => search_text.includes(filter))
360
+ })
361
+
362
+ let rendered_site_cards = $derived(
363
+ visible_site_cards.slice(site_window_start, site_window_start + SITE_WINDOW_SIZE),
364
+ )
365
+ let site_window_end = $derived(
366
+ Math.min(site_window_start + SITE_WINDOW_SIZE, visible_site_cards.length),
367
+ )
368
+ let sites_hidden_by_threshold = $derived(sites_need_toggle && !sites_expanded)
369
+ let show_sites_section = $derived(
370
+ site_cards.length > 0 || sites_hidden_by_threshold || sites_need_toggle,
371
+ )
372
+
373
+ $effect(() => {
374
+ if (site_window_start >= visible_site_cards.length) {
375
+ site_window_start = Math.max(0, visible_site_cards.length - SITE_WINDOW_SIZE)
376
+ }
377
+ })
378
+
379
+ $effect(() => {
380
+ const selected_site_idx = selected_sites[0]
381
+ if (!pane_open || selected_site_idx === undefined) return
382
+ const visible_idx = visible_site_cards.findIndex(({ idx }) => idx === selected_site_idx)
383
+ if (visible_idx < 0) return
384
+ const selected_window_start = Math.floor(visible_idx / SITE_WINDOW_SIZE) *
385
+ SITE_WINDOW_SIZE
386
+ if (selected_window_start !== site_window_start) {
387
+ site_window_start = selected_window_start
388
+ return
389
+ }
390
+ site_cards_el
391
+ ?.querySelector(`[data-site-idx="${selected_site_idx}"]`)
392
+ ?.scrollIntoView({ block: `nearest` })
393
+ })
394
+
395
+ // Compute Wyckoff positions from symmetry data
396
+ let wyckoff_positions = $derived(wyckoff_positions_from_moyo(sym_data))
397
+ </script>
398
+
399
+ <DraggablePane
400
+ bind:show={pane_open}
401
+ max_width="24em"
402
+ toggle_props={{
403
+ class: `structure-info-toggle`,
404
+ title: `${pane_open ? `Close` : `Open`} structure info`,
405
+ ...toggle_props,
406
+ }}
407
+ open_icon="Cross"
408
+ closed_icon="Info"
409
+ pane_props={{ ...pane_props, class: `structure-info-pane ${pane_props?.class ?? ``}` }}
410
+ {...rest}
411
+ >
412
+ <h4 id="structure-info" style="margin-top: 0">Structure Info</h4>
413
+ {#each pane_data as section, sec_idx (section.title)}
414
+ {#if sec_idx > 0}<hr />{/if}
415
+ <section>
416
+ {#if section.title && section.title !== `Structure`}
417
+ <h4>{section.title}</h4>
418
+ {/if}
419
+ {#each section.items as item (item.key ?? item.label)}
420
+ {@const { key, label, value, tooltip } = item}
421
+ <div
422
+ class="info-row clickable"
423
+ title={`Click to copy: ${label}: ${value}`}
424
+ onclick={() => copy_info_item(item)}
425
+ role="button"
426
+ tabindex="0"
427
+ onkeydown={(event) => {
428
+ if ([`Enter`, ` `].includes(event.key)) {
429
+ event.preventDefault()
430
+ copy_info_item(item)
431
+ }
432
+ }}
433
+ >
434
+ <span>{@html sanitize_html(label)}</span>
435
+ <span title={tooltip}>{@html sanitize_html(value)}</span>
436
+ {#if key && copied_items.has(key)}
437
+ <Icon
438
+ icon="Check"
439
+ style="color: var(--success-color, #10b981); width: 12px; height: 12px"
440
+ class="copy-checkmark"
441
+ />
442
+ {/if}
443
+ </div>
444
+ {/each}
445
+
446
+ {#if section.title === `Symmetry` && wyckoff_positions.length > 0}
447
+ <WyckoffTable
448
+ {wyckoff_positions}
449
+ on_hover={(site_indices) => highlighted_sites = site_indices ?? []}
450
+ on_click={(site_indices) => selected_sites = site_indices ?? []}
451
+ style="width: 100%; margin-top: 0.5em; font-size: 0.8em"
452
+ />
453
+ {/if}
454
+ </section>
455
+ {/each}
456
+
457
+ {#if show_sites_section}
458
+ <hr />
459
+ <section class="sites-section">
460
+ <div class="sites-header">
461
+ <h4 id="sites">Sites</h4>
462
+ {#if sites_need_toggle}
463
+ <button
464
+ type="button"
465
+ class="sites-toggle"
466
+ onclick={() => (sites_expanded = !sites_expanded)}
467
+ title="{sites_expanded ? `Hide` : `Show`} all site information"
468
+ >
469
+ {sites_expanded ? `Hide` : `Show ${structure.sites.length} sites`}
470
+ </button>
471
+ {/if}
472
+ </div>
473
+ {#if sites_hidden_by_threshold}
474
+ <p class="sites-note">Site list hidden for this {structure.sites.length}-site structure.</p>
475
+ {:else if site_cards.length > 0}
476
+ <input
477
+ class="site-filter"
478
+ type="search"
479
+ value={site_filter}
480
+ oninput={update_site_filter}
481
+ placeholder="Filter sites by element, index, coordinate, or property"
482
+ aria-label="Filter sites"
483
+ />
484
+ {#if visible_site_cards.length === 0}
485
+ <p class="sites-note">No sites match "{site_filter}".</p>
486
+ {:else}
487
+ {#if visible_site_cards.length > SITE_WINDOW_SIZE}
488
+ <div class="site-window-controls">
489
+ <button
490
+ type="button"
491
+ disabled={site_window_start === 0}
492
+ onclick={() =>
493
+ site_window_start = Math.max(0, site_window_start - SITE_WINDOW_SIZE)}
494
+ >
495
+ Previous
496
+ </button>
497
+ <span>{site_window_start + 1}-{site_window_end} of {visible_site_cards.length}</span>
498
+ <button
499
+ type="button"
500
+ disabled={site_window_end >= visible_site_cards.length}
501
+ onclick={() =>
502
+ site_window_start = Math.min(
503
+ Math.max(0, visible_site_cards.length - SITE_WINDOW_SIZE),
504
+ site_window_start + SITE_WINDOW_SIZE,
505
+ )}
506
+ >
507
+ Next
508
+ </button>
509
+ </div>
510
+ {/if}
511
+ <div class="site-cards" bind:this={site_cards_el}>
512
+ {#each rendered_site_cards as card (card.idx)}
513
+ {@const is_highlighted = highlighted_sites.includes(card.idx) ||
514
+ hovered_site_idx === card.idx}
515
+ {@const is_selected = selected_sites.includes(card.idx)}
516
+ <div
517
+ class="site-card"
518
+ class:highlighted={is_highlighted}
519
+ class:selected={is_selected}
520
+ data-site-idx={card.idx}
521
+ style:--site-color={colors.element?.[card.element as ElementSymbol] ?? `#888`}
522
+ title="Click to select {card.title}. Press c to copy."
523
+ role="button"
524
+ tabindex="0"
525
+ onmouseenter={() => set_site_hover(card.idx)}
526
+ onmouseleave={() => set_site_hover(null)}
527
+ onfocus={() => set_site_hover(card.idx)}
528
+ onblur={() => set_site_hover(null)}
529
+ onclick={(event) => select_site(card.idx, event)}
530
+ onkeydown={(event) => handle_site_keydown(event, card)}
531
+ >
532
+ <div class="site-card-header">
533
+ <span class="site-title">
534
+ <span class="site-color" aria-hidden="true"></span>
535
+ <strong>{card.title}</strong>
536
+ <span>{card.element_name}</span>
537
+ </span>
538
+ <CopyButton
539
+ label="Copy {card.title}"
540
+ title="Copy {card.title}"
541
+ copied={copied_items.has(`site-${card.idx}-summary`)}
542
+ onclick={(event) =>
543
+ copy_event(event, card.title, site_summary(card), `site-${card.idx}-summary`)}
544
+ />
545
+ </div>
546
+ <div class="site-card-details">
547
+ {#each card.details as detail (`site-${card.idx}-${detail.key}`)}
548
+ <div class="site-detail">
549
+ <span>{@html sanitize_html(detail.label)}</span>
550
+ <span title={detail.tooltip}>{@html sanitize_html(detail.value)}</span>
551
+ <CopyButton
552
+ label="Copy {card.title} {detail.label}"
553
+ title="Copy {detail.label}"
554
+ copied={copied_items.has(`site-${card.idx}-${detail.key}`)}
555
+ onclick={(event) =>
556
+ copy_event(
557
+ event,
558
+ `${card.title} ${detail.label}`,
559
+ detail.value,
560
+ `site-${card.idx}-${detail.key}`,
561
+ )}
562
+ />
563
+ </div>
564
+ {/each}
565
+ </div>
566
+ </div>
567
+ {/each}
568
+ </div>
569
+ {/if}
570
+ {/if}
571
+ </section>
572
+ {/if}
573
+
574
+ <hr />
575
+ <section>
576
+ <h4 id="usage-tips">Usage Tips</h4>
577
+ {#each USAGE_TIP_ITEMS as { label, value } (label)}
578
+ <div class="tips-item">
579
+ <span>{@html sanitize_html(label)}</span>
580
+ <span>{@html sanitize_html(value)}</span>
581
+ </div>
582
+ {/each}
583
+ </section>
584
+ </DraggablePane>
585
+
586
+ <style>
587
+ .info-row,
588
+ .tips-item {
589
+ display: flex;
590
+ justify-content: space-between;
591
+ gap: 6pt;
592
+ padding: 1pt;
593
+ line-height: 1.5;
594
+ }
595
+ .info-row.clickable {
596
+ cursor: pointer;
597
+ position: relative;
598
+ &:hover {
599
+ background: var(--pane-btn-bg-hover, rgba(255, 255, 255, 0.03));
600
+ }
601
+ }
602
+ .sites-header {
603
+ display: flex;
604
+ align-items: center;
605
+ justify-content: space-between;
606
+ gap: 6pt;
607
+ h4 {
608
+ margin: 0.5em 0;
609
+ }
610
+ }
611
+ .sites-toggle,
612
+ .site-window-controls button {
613
+ border: 0;
614
+ border-radius: var(--border-radius, 3pt);
615
+ background: color-mix(in srgb, currentColor 8%, transparent);
616
+ color: inherit;
617
+ cursor: pointer;
618
+ }
619
+ .sites-toggle {
620
+ padding: 2pt 5pt;
621
+ font-size: 0.8em;
622
+ }
623
+ .site-filter {
624
+ box-sizing: border-box;
625
+ width: 100%;
626
+ margin-bottom: 5pt;
627
+ padding: 4pt 6pt;
628
+ border: 1px solid color-mix(in srgb, currentColor 20%, transparent);
629
+ border-radius: var(--border-radius, 3pt);
630
+ background: color-mix(in srgb, var(--pane-bg, Canvas) 88%, currentColor);
631
+ color: inherit;
632
+ }
633
+ .sites-note {
634
+ margin: 0.25em 0 0.5em;
635
+ opacity: 0.75;
636
+ font-size: 0.85em;
637
+ }
638
+ .site-window-controls {
639
+ display: flex;
640
+ align-items: center;
641
+ justify-content: space-between;
642
+ gap: 5pt;
643
+ margin-bottom: 5pt;
644
+ font-size: 0.8em;
645
+ button {
646
+ padding: 2pt 5pt;
647
+ &:disabled {
648
+ cursor: not-allowed;
649
+ opacity: 0.45;
650
+ }
651
+ }
652
+ }
653
+ .site-cards {
654
+ display: grid;
655
+ gap: 5pt;
656
+ }
657
+ .site-card {
658
+ border-left: 3px solid var(--site-color, #888);
659
+ border-radius: var(--border-radius, 3pt);
660
+ background: color-mix(in srgb, currentColor 4%, transparent);
661
+ padding: 5pt;
662
+ cursor: pointer;
663
+ outline: none;
664
+ &:is(:hover, :focus-visible, .highlighted) {
665
+ background: color-mix(in srgb, var(--site-color, currentColor) 18%, transparent);
666
+ }
667
+ &.selected {
668
+ box-shadow: inset 0 0 0 1px var(--site-color, currentColor);
669
+ background: color-mix(in srgb, var(--site-color, currentColor) 25%, transparent);
670
+ }
671
+ }
672
+ .site-card-header,
673
+ .site-title,
674
+ .site-detail {
675
+ display: flex;
676
+ align-items: center;
677
+ gap: 5pt;
678
+ }
679
+ .site-card-header {
680
+ justify-content: space-between;
681
+ }
682
+ .site-title {
683
+ min-width: 0;
684
+ span:last-child {
685
+ opacity: 0.75;
686
+ }
687
+ }
688
+ .site-color {
689
+ width: 0.75em;
690
+ height: 0.75em;
691
+ flex: 0 0 auto;
692
+ border-radius: 50%;
693
+ background: var(--site-color, #888);
694
+ }
695
+ .site-card-details {
696
+ display: grid;
697
+ gap: 2pt;
698
+ margin-top: 3pt;
699
+ font-size: 0.86em;
700
+ }
701
+ .site-detail {
702
+ justify-content: space-between;
703
+ span:first-child {
704
+ opacity: 0.75;
705
+ }
706
+ span:nth-child(2) {
707
+ overflow: hidden;
708
+ text-overflow: ellipsis;
709
+ white-space: nowrap;
710
+ }
711
+ }
712
+ section :global(.copy-checkmark) {
713
+ position: absolute;
714
+ top: 50%;
715
+ right: 3pt;
716
+ transform: translateY(-50%);
717
+ background: var(--pane-bg);
718
+ border-radius: 50%;
719
+ padding: 3pt;
720
+ display: flex;
721
+ align-items: center;
722
+ justify-content: center;
723
+ animation: fade-in 0.1s ease-out;
724
+ }
725
+ @keyframes fade-in {
726
+ 0% {
727
+ opacity: 0;
728
+ }
729
+ }
730
+ .tips-item {
731
+ flex-direction: column;
732
+ gap: 2pt;
733
+ span:last-child {
734
+ opacity: 0.8;
735
+ }
736
+ }
737
+ </style>