matterviz 0.4.0 → 0.4.2

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 (527) hide show
  1. package/dist/EmptyState.svelte +10 -4
  2. package/dist/FilePicker.svelte +12 -14
  3. package/dist/Icon.svelte +7 -4
  4. package/dist/MillerIndexInput.svelte +2 -2
  5. package/dist/app.css +53 -0
  6. package/dist/brillouin/BrillouinZone.svelte +132 -219
  7. package/dist/brillouin/BrillouinZone.svelte.d.ts +9 -20
  8. package/dist/brillouin/BrillouinZoneControls.svelte +3 -6
  9. package/dist/brillouin/BrillouinZoneExportPane.svelte +47 -96
  10. package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +1 -1
  11. package/dist/brillouin/BrillouinZoneInfoPane.svelte +15 -42
  12. package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +2 -3
  13. package/dist/brillouin/BrillouinZoneScene.svelte +63 -230
  14. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +3 -23
  15. package/dist/brillouin/ReciprocalVectors.svelte +39 -0
  16. package/dist/brillouin/ReciprocalVectors.svelte.d.ts +9 -0
  17. package/dist/brillouin/compute.d.ts +2 -0
  18. package/dist/brillouin/compute.js +80 -77
  19. package/dist/brillouin/geometry.d.ts +8 -0
  20. package/dist/brillouin/geometry.js +57 -0
  21. package/dist/brillouin/index.d.ts +2 -0
  22. package/dist/brillouin/index.js +2 -0
  23. package/dist/brillouin/types.d.ts +2 -2
  24. package/dist/chempot-diagram/ChemPotDiagram.svelte +33 -38
  25. package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +1 -1
  26. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +143 -246
  27. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +4 -1
  28. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +652 -976
  29. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +7 -1
  30. package/dist/chempot-diagram/async-compute.svelte.js +1 -1
  31. package/dist/chempot-diagram/color.d.ts +3 -6
  32. package/dist/chempot-diagram/color.js +5 -5
  33. package/dist/chempot-diagram/compute.d.ts +3 -3
  34. package/dist/chempot-diagram/compute.js +3 -1
  35. package/dist/chempot-diagram/controls-state.svelte.d.ts +10 -0
  36. package/dist/chempot-diagram/controls-state.svelte.js +42 -0
  37. package/dist/chempot-diagram/export.d.ts +47 -0
  38. package/dist/chempot-diagram/export.js +133 -0
  39. package/dist/chempot-diagram/index.d.ts +1 -0
  40. package/dist/chempot-diagram/index.js +1 -0
  41. package/dist/chempot-diagram/pointer.d.ts +0 -10
  42. package/dist/chempot-diagram/pointer.js +4 -4
  43. package/dist/chempot-diagram/types.d.ts +3 -3
  44. package/dist/colors/index.d.ts +0 -4
  45. package/dist/colors/index.js +21 -22
  46. package/dist/composition/BarChart.svelte +37 -31
  47. package/dist/composition/BubbleChart.svelte +17 -17
  48. package/dist/composition/Composition.svelte +7 -11
  49. package/dist/composition/Formula.svelte +18 -25
  50. package/dist/composition/FormulaFilter.svelte +96 -98
  51. package/dist/composition/PieChart.svelte +60 -46
  52. package/dist/composition/chem-sys.js +3 -2
  53. package/dist/composition/format.js +4 -3
  54. package/dist/composition/index.d.ts +2 -0
  55. package/dist/composition/index.js +14 -0
  56. package/dist/composition/parse.d.ts +2 -3
  57. package/dist/composition/parse.js +27 -28
  58. package/dist/constants.js +11 -9
  59. package/dist/controls.d.ts +1 -0
  60. package/dist/controls.js +0 -1
  61. package/dist/convex-hull/ConvexHull.svelte +20 -25
  62. package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -4
  63. package/dist/convex-hull/ConvexHull2D.svelte +176 -256
  64. package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
  65. package/dist/convex-hull/ConvexHull3D.svelte +269 -804
  66. package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
  67. package/dist/convex-hull/ConvexHull4D.svelte +236 -755
  68. package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
  69. package/dist/convex-hull/ConvexHullChrome.svelte +264 -0
  70. package/dist/convex-hull/ConvexHullChrome.svelte.d.ts +30 -0
  71. package/dist/convex-hull/ConvexHullControls.svelte +128 -49
  72. package/dist/convex-hull/ConvexHullControls.svelte.d.ts +7 -6
  73. package/dist/convex-hull/ConvexHullInfoPane.svelte +18 -5
  74. package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +6 -5
  75. package/dist/convex-hull/ConvexHullStats.svelte +210 -351
  76. package/dist/convex-hull/ConvexHullStats.svelte.d.ts +3 -1
  77. package/dist/convex-hull/ConvexHullTooltip.svelte +16 -14
  78. package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +2 -1
  79. package/dist/convex-hull/GasPressureControls.svelte +5 -12
  80. package/dist/convex-hull/StructurePopup.svelte +17 -21
  81. package/dist/convex-hull/StructurePopup.svelte.d.ts +2 -0
  82. package/dist/convex-hull/TemperatureSlider.svelte +4 -10
  83. package/dist/convex-hull/barycentric-coords.d.ts +2 -4
  84. package/dist/convex-hull/barycentric-coords.js +6 -33
  85. package/dist/convex-hull/canvas-interactions.svelte.d.ts +79 -0
  86. package/dist/convex-hull/canvas-interactions.svelte.js +279 -0
  87. package/dist/convex-hull/helpers.d.ts +47 -17
  88. package/dist/convex-hull/helpers.js +186 -101
  89. package/dist/convex-hull/hull-state.svelte.d.ts +44 -0
  90. package/dist/convex-hull/hull-state.svelte.js +124 -0
  91. package/dist/convex-hull/index.d.ts +9 -7
  92. package/dist/convex-hull/index.js +7 -2
  93. package/dist/convex-hull/thermodynamics.js +109 -937
  94. package/dist/convex-hull/types.d.ts +12 -4
  95. package/dist/convex-hull/types.js +12 -0
  96. package/dist/coordination/CoordinationBarPlot.svelte +41 -43
  97. package/dist/coordination/CoordinationBarPlot.svelte.d.ts +1 -1
  98. package/dist/coordination/calc-coordination.d.ts +1 -1
  99. package/dist/coordination/calc-coordination.js +28 -25
  100. package/dist/element/BohrAtom.svelte +6 -8
  101. package/dist/element/ElementHeading.svelte +4 -1
  102. package/dist/element/ElementPhoto.svelte +11 -9
  103. package/dist/element/ElementStats.svelte +12 -10
  104. package/dist/element/ElementTile.svelte +24 -29
  105. package/dist/element/ElementTile.svelte.d.ts +1 -1
  106. package/dist/element/Nucleus.svelte +4 -2
  107. package/dist/element/data.d.ts +1 -2
  108. package/dist/element/helpers.d.ts +4 -0
  109. package/dist/element/helpers.js +18 -0
  110. package/dist/element/index.d.ts +1 -0
  111. package/dist/element/index.js +3 -0
  112. package/dist/feedback/DragOverlay.svelte +5 -3
  113. package/dist/feedback/DragOverlay.svelte.d.ts +2 -1
  114. package/dist/feedback/StatusMessage.svelte +20 -7
  115. package/dist/fermi-surface/FermiSlice.svelte +21 -18
  116. package/dist/fermi-surface/FermiSurface.svelte +78 -165
  117. package/dist/fermi-surface/FermiSurface.svelte.d.ts +9 -20
  118. package/dist/fermi-surface/FermiSurfaceControls.svelte +6 -20
  119. package/dist/fermi-surface/FermiSurfaceScene.svelte +93 -272
  120. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +3 -23
  121. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +9 -6
  122. package/dist/fermi-surface/compute.js +14 -13
  123. package/dist/fermi-surface/export.js +4 -15
  124. package/dist/fermi-surface/index.d.ts +0 -1
  125. package/dist/fermi-surface/index.js +0 -1
  126. package/dist/fermi-surface/parse.d.ts +1 -1
  127. package/dist/fermi-surface/parse.js +84 -97
  128. package/dist/fermi-surface/types.d.ts +2 -2
  129. package/dist/heatmap-matrix/HeatmapMatrix.svelte +161 -185
  130. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +6 -5
  131. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +12 -9
  132. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +5 -5
  133. package/dist/heatmap-matrix/index.d.ts +8 -2
  134. package/dist/icons.d.ts +4 -0
  135. package/dist/icons.js +4 -0
  136. package/dist/index.d.ts +1 -0
  137. package/dist/index.js +1 -0
  138. package/dist/io/ExportPane.svelte +170 -0
  139. package/dist/io/ExportPane.svelte.d.ts +17 -0
  140. package/dist/io/decompress.d.ts +2 -1
  141. package/dist/io/decompress.js +22 -36
  142. package/dist/io/export.d.ts +9 -1
  143. package/dist/io/export.js +37 -29
  144. package/dist/io/fetch.d.ts +2 -4
  145. package/dist/io/fetch.js +0 -11
  146. package/dist/io/file-drop.d.ts +7 -0
  147. package/dist/io/file-drop.js +13 -0
  148. package/dist/io/index.d.ts +1 -0
  149. package/dist/io/index.js +3 -0
  150. package/dist/io/is-binary.d.ts +9 -0
  151. package/dist/io/is-binary.js +45 -1
  152. package/dist/io/types.d.ts +13 -0
  153. package/dist/io/url-drop.js +13 -25
  154. package/dist/isosurface/Isosurface.svelte +17 -23
  155. package/dist/isosurface/IsosurfaceControls.svelte +37 -42
  156. package/dist/isosurface/parse-vaspwave.d.ts +3 -0
  157. package/dist/isosurface/parse-vaspwave.js +138 -0
  158. package/dist/isosurface/parse.js +50 -48
  159. package/dist/labels.d.ts +6 -2
  160. package/dist/labels.js +44 -14
  161. package/dist/layout/FullscreenButton.svelte +34 -0
  162. package/dist/layout/FullscreenButton.svelte.d.ts +10 -0
  163. package/dist/layout/FullscreenToggle.svelte +12 -12
  164. package/dist/layout/InfoCard.svelte +7 -18
  165. package/dist/layout/InfoTag.svelte +1 -3
  166. package/dist/layout/NumberRangeInput.svelte +46 -0
  167. package/dist/layout/NumberRangeInput.svelte.d.ts +12 -0
  168. package/dist/layout/PropertyFilter.svelte +2 -6
  169. package/dist/layout/SettingsSection.svelte +21 -17
  170. package/dist/layout/SubpageGrid.svelte +3 -1
  171. package/dist/layout/ViewerChrome.svelte +115 -0
  172. package/dist/layout/ViewerChrome.svelte.d.ts +18 -0
  173. package/dist/layout/fullscreen.d.ts +4 -0
  174. package/dist/layout/fullscreen.js +3 -5
  175. package/dist/layout/fullscreen.svelte.d.ts +8 -0
  176. package/dist/layout/fullscreen.svelte.js +36 -0
  177. package/dist/layout/index.d.ts +4 -0
  178. package/dist/layout/index.js +4 -0
  179. package/dist/layout/json-tree/JsonNode.svelte +8 -11
  180. package/dist/layout/json-tree/JsonTree.svelte +53 -77
  181. package/dist/layout/json-tree/JsonValue.svelte +7 -15
  182. package/dist/layout/json-tree/utils.js +14 -23
  183. package/dist/math.d.ts +9 -3
  184. package/dist/math.js +37 -21
  185. package/dist/overlays/ContextMenu.svelte +4 -2
  186. package/dist/overlays/CopyButton.svelte +11 -5
  187. package/dist/overlays/DragControlTab.svelte +6 -1
  188. package/dist/overlays/DraggablePane.svelte +81 -26
  189. package/dist/overlays/DraggablePane.svelte.d.ts +1 -0
  190. package/dist/overlays/GlassChip.svelte +30 -0
  191. package/dist/overlays/GlassChip.svelte.d.ts +8 -0
  192. package/dist/overlays/InfoPaneCards.svelte +11 -23
  193. package/dist/overlays/index.d.ts +11 -0
  194. package/dist/overlays/index.js +26 -0
  195. package/dist/overlays/portal.d.ts +2 -0
  196. package/dist/overlays/portal.js +14 -0
  197. package/dist/periodic-table/PeriodicTable.svelte +115 -146
  198. package/dist/periodic-table/PeriodicTable.svelte.d.ts +5 -3
  199. package/dist/periodic-table/PeriodicTableControls.svelte +11 -63
  200. package/dist/periodic-table/TableInset.svelte +9 -4
  201. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +50 -71
  202. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -8
  203. package/dist/phase-diagram/PhaseDiagramControls.svelte +73 -96
  204. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +4 -3
  205. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +4 -2
  206. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +2 -3
  207. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +49 -134
  208. package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +3 -4
  209. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +54 -58
  210. package/dist/phase-diagram/TdbInfoPanel.svelte +21 -15
  211. package/dist/phase-diagram/build-diagram.js +3 -3
  212. package/dist/phase-diagram/colors.js +1 -1
  213. package/dist/phase-diagram/diagram-input.d.ts +1 -2
  214. package/dist/phase-diagram/parse.d.ts +2 -1
  215. package/dist/phase-diagram/parse.js +15 -15
  216. package/dist/phase-diagram/svg-to-diagram.js +21 -15
  217. package/dist/phase-diagram/utils.js +2 -3
  218. package/dist/plot/bar/BarPlot.svelte +494 -692
  219. package/dist/plot/bar/BarPlot.svelte.d.ts +9 -15
  220. package/dist/plot/bar/BarPlotControls.svelte +1 -3
  221. package/dist/plot/bar/BarPlotControls.svelte.d.ts +5 -7
  222. package/dist/plot/bar/SpacegroupBarPlot.svelte +31 -37
  223. package/dist/plot/bar/data.d.ts +5 -4
  224. package/dist/plot/bar/data.js +2 -1
  225. package/dist/plot/box/BoxPlot.svelte +361 -439
  226. package/dist/plot/box/BoxPlot.svelte.d.ts +6 -3
  227. package/dist/plot/box/BoxPlotControls.svelte.d.ts +1 -1
  228. package/dist/plot/box/Violin.svelte.d.ts +2 -1
  229. package/dist/plot/box/box-plot.d.ts +3 -2
  230. package/dist/plot/box/box-plot.js +6 -3
  231. package/dist/plot/box/kde.d.ts +2 -1
  232. package/dist/plot/box/kde.js +4 -4
  233. package/dist/plot/core/auto-place.d.ts +1 -1
  234. package/dist/plot/core/auto-place.js +5 -2
  235. package/dist/plot/core/axis-utils.d.ts +12 -7
  236. package/dist/plot/core/axis-utils.js +48 -48
  237. package/dist/plot/core/components/AxisLabel.svelte +82 -20
  238. package/dist/plot/core/components/AxisLabel.svelte.d.ts +1 -0
  239. package/dist/plot/core/components/ColorBar.svelte +106 -111
  240. package/dist/plot/core/components/ColorBar.svelte.d.ts +5 -4
  241. package/dist/plot/core/components/ColorScaleSelect.svelte +1 -1
  242. package/dist/plot/core/components/FillArea.svelte +10 -17
  243. package/dist/plot/core/components/HierarchyControls.svelte +249 -0
  244. package/dist/plot/{sunburst/SunburstControls.svelte.d.ts → core/components/HierarchyControls.svelte.d.ts} +12 -8
  245. package/dist/plot/core/components/InteractiveAxisLabel.svelte +1 -1
  246. package/dist/plot/core/components/InteractiveAxisLabel.svelte.d.ts +1 -1
  247. package/dist/plot/core/components/Line.svelte +21 -11
  248. package/dist/plot/core/components/Line.svelte.d.ts +5 -2
  249. package/dist/plot/core/components/PlotAxis.svelte +42 -18
  250. package/dist/plot/core/components/PlotAxis.svelte.d.ts +2 -1
  251. package/dist/plot/core/components/PlotControls.svelte +65 -41
  252. package/dist/plot/core/components/PlotControls.svelte.d.ts +1 -1
  253. package/dist/plot/core/components/PlotLegend.svelte +31 -35
  254. package/dist/plot/core/components/PlotMarginals.svelte +616 -0
  255. package/dist/plot/core/components/PlotMarginals.svelte.d.ts +15 -0
  256. package/dist/plot/core/components/PlotTooltip.svelte +1 -1
  257. package/dist/plot/core/components/PortalSelect.svelte +4 -8
  258. package/dist/plot/core/components/ReferenceLine.svelte +27 -24
  259. package/dist/plot/core/components/ReferenceLine3D.svelte +56 -59
  260. package/dist/plot/core/components/ReferenceLine3D.svelte.d.ts +4 -4
  261. package/dist/plot/core/components/ReferencePlane.svelte +9 -10
  262. package/dist/plot/core/components/ReferencePlane.svelte.d.ts +4 -4
  263. package/dist/plot/core/components/ZeroLines.svelte +4 -8
  264. package/dist/plot/core/components/ZoomRect.svelte +1 -2
  265. package/dist/plot/core/components/index.d.ts +1 -0
  266. package/dist/plot/core/components/index.js +1 -0
  267. package/dist/plot/core/data-cleaning-signal.d.ts +46 -0
  268. package/dist/plot/core/data-cleaning-signal.js +467 -0
  269. package/dist/plot/core/data-cleaning.d.ts +2 -42
  270. package/dist/plot/core/data-cleaning.js +29 -476
  271. package/dist/plot/core/data-transform.js +9 -5
  272. package/dist/plot/core/fill-utils.d.ts +7 -4
  273. package/dist/plot/core/fill-utils.js +34 -9
  274. package/dist/plot/core/index.d.ts +1 -0
  275. package/dist/plot/core/index.js +1 -0
  276. package/dist/plot/core/interactions.d.ts +5 -1
  277. package/dist/plot/core/interactions.js +14 -2
  278. package/dist/plot/core/layout.d.ts +3 -1
  279. package/dist/plot/core/layout.js +22 -13
  280. package/dist/plot/core/marginals.d.ts +170 -0
  281. package/dist/plot/core/marginals.js +436 -0
  282. package/dist/plot/core/pan-zoom.svelte.d.ts +35 -0
  283. package/dist/plot/core/pan-zoom.svelte.js +221 -0
  284. package/dist/plot/core/placed-tween.svelte.d.ts +21 -0
  285. package/dist/plot/core/placed-tween.svelte.js +68 -0
  286. package/dist/plot/core/reference-line.d.ts +10 -10
  287. package/dist/plot/core/reference-line.js +7 -7
  288. package/dist/plot/core/scales.d.ts +40 -25
  289. package/dist/plot/core/scales.js +49 -21
  290. package/dist/plot/core/svg.d.ts +2 -1
  291. package/dist/plot/core/types/fills.d.ts +101 -0
  292. package/dist/plot/core/types/fills.js +15 -0
  293. package/dist/plot/core/types/plot-3d.d.ts +87 -0
  294. package/dist/plot/core/types/plot-3d.js +4 -0
  295. package/dist/plot/core/types/reference-lines.d.ts +140 -0
  296. package/dist/plot/core/types/reference-lines.js +9 -0
  297. package/dist/plot/core/types.d.ts +47 -331
  298. package/dist/plot/core/types.js +23 -20
  299. package/dist/plot/core/utils/hierarchy-chart.d.ts +51 -0
  300. package/dist/plot/core/utils/hierarchy-chart.js +179 -0
  301. package/dist/plot/core/utils/hierarchy-labels.d.ts +20 -0
  302. package/dist/plot/core/utils/hierarchy-labels.js +99 -0
  303. package/dist/plot/core/utils/label-placement.d.ts +1 -1
  304. package/dist/plot/core/utils/label-placement.js +5 -5
  305. package/dist/plot/core/utils.d.ts +2 -1
  306. package/dist/plot/histogram/Histogram.svelte +373 -631
  307. package/dist/plot/histogram/Histogram.svelte.d.ts +7 -7
  308. package/dist/plot/histogram/HistogramControls.svelte +30 -28
  309. package/dist/plot/histogram/HistogramControls.svelte.d.ts +1 -1
  310. package/dist/plot/histogram/histogram.d.ts +31 -0
  311. package/dist/plot/histogram/histogram.js +70 -0
  312. package/dist/plot/histogram/index.d.ts +1 -0
  313. package/dist/plot/histogram/index.js +1 -0
  314. package/dist/plot/index.d.ts +1 -0
  315. package/dist/plot/index.js +1 -0
  316. package/dist/plot/sankey/Sankey.svelte +79 -73
  317. package/dist/plot/sankey/Sankey.svelte.d.ts +3 -3
  318. package/dist/plot/sankey/SankeyControls.svelte +22 -16
  319. package/dist/plot/sankey/sankey.js +3 -1
  320. package/dist/plot/scatter/BinnedScatterPlot.svelte +264 -112
  321. package/dist/plot/scatter/BinnedScatterPlot.svelte.d.ts +11 -4
  322. package/dist/plot/scatter/ElementScatter.svelte +4 -1
  323. package/dist/plot/scatter/ScatterPlot.svelte +623 -821
  324. package/dist/plot/scatter/ScatterPlot.svelte.d.ts +9 -15
  325. package/dist/plot/scatter/ScatterPlotControls.svelte +18 -19
  326. package/dist/plot/scatter/ScatterPlotControls.svelte.d.ts +1 -1
  327. package/dist/plot/scatter/ScatterPoint.svelte +16 -9
  328. package/dist/plot/scatter/binned-scatter-types.d.ts +6 -12
  329. package/dist/plot/scatter/binned-scatter-types.js +6 -1
  330. package/dist/plot/scatter/index.d.ts +1 -1
  331. package/dist/plot/scatter/scatter-data.d.ts +1 -1
  332. package/dist/plot/scatter/scatter-data.js +8 -7
  333. package/dist/plot/scatter-3d/ScatterPlot3D.svelte +40 -60
  334. package/dist/plot/scatter-3d/ScatterPlot3D.svelte.d.ts +6 -14
  335. package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte +17 -15
  336. package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte.d.ts +5 -5
  337. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte +232 -234
  338. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte.d.ts +5 -14
  339. package/dist/plot/scatter-3d/Surface3D.svelte +9 -17
  340. package/dist/plot/scatter-3d/Surface3D.svelte.d.ts +4 -3
  341. package/dist/plot/sunburst/Sunburst.svelte +256 -338
  342. package/dist/plot/sunburst/Sunburst.svelte.d.ts +4 -3
  343. package/dist/plot/sunburst/index.d.ts +1 -1
  344. package/dist/plot/sunburst/index.js +2 -1
  345. package/dist/plot/sunburst/render.d.ts +2 -2
  346. package/dist/plot/sunburst/render.js +47 -22
  347. package/dist/plot/sunburst/sunburst.d.ts +5 -1
  348. package/dist/plot/sunburst/sunburst.js +14 -4
  349. package/dist/plot/treemap/Treemap.svelte +907 -0
  350. package/dist/plot/treemap/Treemap.svelte.d.ts +84 -0
  351. package/dist/plot/treemap/index.d.ts +3 -0
  352. package/dist/plot/treemap/index.js +4 -0
  353. package/dist/plot/treemap/treemap.d.ts +26 -0
  354. package/dist/plot/treemap/treemap.js +99 -0
  355. package/dist/rdf/RdfPlot.svelte +22 -26
  356. package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
  357. package/dist/rdf/calc-rdf.js +4 -8
  358. package/dist/sanitize.js +14 -3
  359. package/dist/scene/SceneCamera.svelte +62 -0
  360. package/dist/scene/SceneCamera.svelte.d.ts +19 -0
  361. package/dist/scene/bind-renderer.svelte.d.ts +2 -0
  362. package/dist/scene/bind-renderer.svelte.js +22 -0
  363. package/dist/scene/index.d.ts +4 -0
  364. package/dist/scene/index.js +5 -0
  365. package/dist/scene/props.js +52 -0
  366. package/dist/scene/types.d.ts +26 -0
  367. package/dist/scene/types.js +1 -0
  368. package/dist/settings.d.ts +33 -11
  369. package/dist/settings.js +136 -51
  370. package/dist/spectral/Bands.svelte +231 -237
  371. package/dist/spectral/Bands.svelte.d.ts +3 -2
  372. package/dist/spectral/BandsAndDos.svelte +29 -29
  373. package/dist/spectral/BrillouinBandsDos.svelte +21 -29
  374. package/dist/spectral/Dos.svelte +75 -77
  375. package/dist/spectral/Dos.svelte.d.ts +2 -1
  376. package/dist/spectral/helpers.d.ts +9 -9
  377. package/dist/spectral/helpers.js +66 -70
  378. package/dist/state.svelte.d.ts +0 -7
  379. package/dist/state.svelte.js +5 -24
  380. package/dist/structure/Arrow.svelte +6 -21
  381. package/dist/structure/ArrowInstances.svelte +160 -0
  382. package/dist/structure/ArrowInstances.svelte.d.ts +16 -0
  383. package/dist/structure/AtomLegend.svelte +115 -75
  384. package/dist/structure/AtomLegend.svelte.d.ts +1 -1
  385. package/dist/structure/Bond.svelte +31 -23
  386. package/dist/structure/CanvasTooltip.svelte +16 -3
  387. package/dist/structure/CellSelect.svelte +22 -29
  388. package/dist/structure/CellSelect.svelte.d.ts +2 -1
  389. package/dist/structure/Cylinder.svelte +24 -40
  390. package/dist/structure/InstancedAtoms.svelte +114 -0
  391. package/dist/structure/InstancedAtoms.svelte.d.ts +15 -0
  392. package/dist/structure/Lattice.svelte +85 -149
  393. package/dist/structure/SiteLabels.svelte +122 -0
  394. package/dist/structure/SiteLabels.svelte.d.ts +18 -0
  395. package/dist/structure/Structure.svelte +725 -735
  396. package/dist/structure/Structure.svelte.d.ts +8 -16
  397. package/dist/structure/StructureCarousel.svelte +630 -0
  398. package/dist/structure/StructureCarousel.svelte.d.ts +19 -0
  399. package/dist/structure/StructureControls.svelte +298 -325
  400. package/dist/structure/StructureControls.svelte.d.ts +5 -3
  401. package/dist/structure/StructureExportPane.svelte +62 -168
  402. package/dist/structure/StructureExportPane.svelte.d.ts +4 -5
  403. package/dist/structure/StructureInfoPane.svelte +77 -69
  404. package/dist/structure/StructureInfoPane.svelte.d.ts +6 -6
  405. package/dist/structure/StructureScene.svelte +758 -600
  406. package/dist/structure/StructureScene.svelte.d.ts +24 -20
  407. package/dist/structure/StructureViewport.svelte +386 -0
  408. package/dist/structure/StructureViewport.svelte.d.ts +63 -0
  409. package/dist/structure/atom-label-placement.d.ts +18 -0
  410. package/dist/structure/atom-label-placement.js +115 -0
  411. package/dist/structure/atom-properties.d.ts +3 -1
  412. package/dist/structure/atom-properties.js +115 -54
  413. package/dist/structure/bond-order-perception.js +2 -4
  414. package/dist/structure/bonding.d.ts +12 -2
  415. package/dist/structure/bonding.js +172 -73
  416. package/dist/structure/edit-history.d.ts +6 -0
  417. package/dist/structure/edit-history.js +27 -0
  418. package/dist/structure/export.d.ts +25 -4
  419. package/dist/structure/export.js +103 -153
  420. package/dist/structure/format-detect.d.ts +1 -0
  421. package/dist/structure/format-detect.js +22 -0
  422. package/dist/structure/geometry.d.ts +9 -0
  423. package/dist/structure/geometry.js +27 -0
  424. package/dist/structure/index.d.ts +18 -1
  425. package/dist/structure/index.js +15 -2
  426. package/dist/structure/measure.d.ts +1 -1
  427. package/dist/structure/measure.js +6 -12
  428. package/dist/structure/parse.d.ts +5 -3
  429. package/dist/structure/parse.js +551 -567
  430. package/dist/structure/partial-occupancy.d.ts +0 -1
  431. package/dist/structure/partial-occupancy.js +5 -3
  432. package/dist/structure/pbc.d.ts +1 -1
  433. package/dist/structure/pbc.js +204 -51
  434. package/dist/structure/polyhedra.d.ts +40 -0
  435. package/dist/structure/polyhedra.js +587 -0
  436. package/dist/structure/site.d.ts +4 -0
  437. package/dist/structure/site.js +1 -0
  438. package/dist/structure/supercell.d.ts +1 -2
  439. package/dist/structure/supercell.js +10 -15
  440. package/dist/structure/validation.js +5 -6
  441. package/dist/symmetry/SymmetryElementControls.svelte +69 -0
  442. package/dist/symmetry/SymmetryElementControls.svelte.d.ts +9 -0
  443. package/dist/symmetry/SymmetryElements.svelte +350 -0
  444. package/dist/symmetry/SymmetryElements.svelte.d.ts +24 -0
  445. package/dist/symmetry/SymmetryStats.svelte +142 -49
  446. package/dist/symmetry/WyckoffTable.svelte +58 -16
  447. package/dist/symmetry/WyckoffTable.svelte.d.ts +3 -0
  448. package/dist/symmetry/cell-transform.js +8 -14
  449. package/dist/symmetry/index.d.ts +15 -4
  450. package/dist/symmetry/index.js +308 -81
  451. package/dist/symmetry/spacegroups.d.ts +5 -1
  452. package/dist/symmetry/spacegroups.js +18 -3
  453. package/dist/symmetry/symmetry-elements.d.ts +33 -0
  454. package/dist/symmetry/symmetry-elements.js +521 -0
  455. package/dist/symmetry/wyckoff-db.d.ts +9 -0
  456. package/dist/symmetry/wyckoff-db.js +87 -0
  457. package/dist/table/HeatmapTable.svelte +1104 -378
  458. package/dist/table/HeatmapTable.svelte.d.ts +12 -2
  459. package/dist/table/ToggleMenu.svelte +5 -12
  460. package/dist/table/index.d.ts +21 -6
  461. package/dist/table/index.js +34 -21
  462. package/dist/theme/ThemeControl.svelte +16 -8
  463. package/dist/theme/index.d.ts +1 -5
  464. package/dist/theme/index.js +4 -10
  465. package/dist/theme/themes.mjs +14 -7
  466. package/dist/tooltip/KCoords.svelte +4 -1
  467. package/dist/tooltip/TooltipContent.svelte +2 -5
  468. package/dist/trajectory/Trajectory.svelte +556 -352
  469. package/dist/trajectory/Trajectory.svelte.d.ts +10 -22
  470. package/dist/trajectory/TrajectoryError.svelte +11 -8
  471. package/dist/trajectory/TrajectoryExportPane.svelte +28 -54
  472. package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +4 -5
  473. package/dist/trajectory/TrajectoryInfoPane.svelte +88 -99
  474. package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +3 -2
  475. package/dist/trajectory/constants.js +6 -2
  476. package/dist/trajectory/extract.js +73 -71
  477. package/dist/trajectory/format-detect.d.ts +0 -1
  478. package/dist/trajectory/format-detect.js +13 -17
  479. package/dist/trajectory/frame-reader.d.ts +2 -1
  480. package/dist/trajectory/frame-reader.js +74 -136
  481. package/dist/trajectory/helpers.d.ts +12 -2
  482. package/dist/trajectory/helpers.js +68 -37
  483. package/dist/trajectory/index.d.ts +1 -0
  484. package/dist/trajectory/index.js +3 -0
  485. package/dist/trajectory/parse/ase.d.ts +9 -1
  486. package/dist/trajectory/parse/ase.js +47 -32
  487. package/dist/trajectory/parse/diagnostics.d.ts +3 -0
  488. package/dist/trajectory/parse/diagnostics.js +14 -0
  489. package/dist/trajectory/parse/h5-utils.d.ts +13 -0
  490. package/dist/trajectory/parse/h5-utils.js +109 -0
  491. package/dist/trajectory/parse/hdf5.d.ts +1 -1
  492. package/dist/trajectory/parse/hdf5.js +116 -106
  493. package/dist/trajectory/parse/index.d.ts +3 -4
  494. package/dist/trajectory/parse/index.js +68 -119
  495. package/dist/trajectory/parse/lammps.d.ts +0 -2
  496. package/dist/trajectory/parse/lammps.js +14 -16
  497. package/dist/trajectory/parse/pymatgen.d.ts +2 -0
  498. package/dist/trajectory/parse/pymatgen.js +74 -0
  499. package/dist/trajectory/parse/vasp.js +13 -9
  500. package/dist/trajectory/parse/vaspout-electronic.d.ts +13 -0
  501. package/dist/trajectory/parse/vaspout-electronic.js +207 -0
  502. package/dist/trajectory/parse/vaspout-h5.d.ts +5 -0
  503. package/dist/trajectory/parse/vaspout-h5.js +284 -0
  504. package/dist/trajectory/parse/xyz.d.ts +9 -21
  505. package/dist/trajectory/parse/xyz.js +38 -39
  506. package/dist/trajectory/plotting.d.ts +8 -10
  507. package/dist/trajectory/plotting.js +102 -127
  508. package/dist/utils.d.ts +4 -0
  509. package/dist/utils.js +8 -1
  510. package/dist/xrd/XrdPlot.svelte +56 -85
  511. package/dist/xrd/broadening.d.ts +2 -1
  512. package/dist/xrd/broadening.js +2 -1
  513. package/dist/xrd/calc-xrd.js +8 -15
  514. package/dist/xrd/index.d.ts +2 -2
  515. package/dist/xrd/parse.d.ts +0 -1
  516. package/dist/xrd/parse.js +56 -73
  517. package/package.json +77 -36
  518. package/dist/api/mp.d.ts +0 -6
  519. package/dist/api/mp.js +0 -22
  520. package/dist/element/data.json +0 -11864
  521. package/dist/fermi-surface/marching-cubes.d.ts +0 -2
  522. package/dist/fermi-surface/marching-cubes.js +0 -2
  523. package/dist/plot/core/hover-lock.svelte.d.ts +0 -14
  524. package/dist/plot/core/hover-lock.svelte.js +0 -45
  525. package/dist/plot/sunburst/SunburstControls.svelte +0 -200
  526. package/dist/structure/label-placement.d.ts +0 -14
  527. package/dist/structure/label-placement.js +0 -72
@@ -6,7 +6,12 @@
6
6
  import { format_num } from '../labels'
7
7
  import type { Snippet } from 'svelte'
8
8
  import type { SVGAttributes } from 'svelte/elements'
9
- import { type ChartSegmentData, get_chart_font_scale } from './index'
9
+ import {
10
+ chart_segment_label,
11
+ chart_segment_suffix,
12
+ type ChartSegmentData,
13
+ get_chart_font_scale,
14
+ } from './index'
10
15
  import { fractional_composition } from './parse'
11
16
 
12
17
  type BarSegmentData = ChartSegmentData & {
@@ -66,13 +71,11 @@
66
71
  let svg_height = $derived(label_height + gap + bar_height + gap + label_height)
67
72
  let bar_y = $derived(label_height + gap)
68
73
  let above_labels_y = $derived(label_height / 2)
69
- let below_labels_y = $derived(
70
- label_height + gap + bar_height + gap + label_height / 2,
71
- )
74
+ let below_labels_y = $derived(label_height + gap + bar_height + gap + label_height / 2)
72
75
 
73
76
  let segments = $derived.by(() => {
74
- const element_entries = Object.entries(composition).filter(([_, amount]) =>
75
- amount && amount > 0
77
+ const element_entries = Object.entries(composition).filter(
78
+ ([_, amount]) => amount && amount > 0,
76
79
  ) as [ElementSymbol, number][]
77
80
  if (element_entries.length === 0) return []
78
81
 
@@ -87,8 +90,13 @@
87
90
 
88
91
  const segment_size = Math.min(width, size)
89
92
  const base_scale = Math.min(2, Math.max(1, segment_size / 40))
90
- const label_text = element + (show_amounts ? amount?.toString() ?? `` : ``) +
91
- (show_percentages ? `${format_num(fraction, `.1~%`)}` : ``)
93
+ const label_text = chart_segment_label(
94
+ element,
95
+ amount,
96
+ fraction,
97
+ show_amounts,
98
+ show_percentages,
99
+ )
92
100
  const font_scale = get_chart_font_scale(
93
101
  base_scale,
94
102
  label_text,
@@ -135,9 +143,7 @@
135
143
  </tspan>
136
144
  {#if show_amounts || show_percentages}
137
145
  <tspan class="amount" style:font-size="{6.5 * segment.font_scale}px" dx="1" dy="5">
138
- {show_amounts ? segment.amount : ``}{show_amounts && show_percentages ? `=` : ``}{
139
- show_percentages ? format_num(segment.fraction, `.1~%`) : ``
140
- }
146
+ {chart_segment_suffix(segment.amount, segment.fraction, show_amounts, show_percentages)}
141
147
  </tspan>
142
148
  {/if}
143
149
  {/snippet}
@@ -145,7 +151,7 @@
145
151
  <svg
146
152
  viewBox="0 0 {size} {svg_height}"
147
153
  {...rest}
148
- class="bar-chart {rest.class ?? ``}"
154
+ class={[`bar-chart`, rest.class]}
149
155
  style:max-width="{size}px"
150
156
  bind:this={svg_node}
151
157
  >
@@ -161,8 +167,7 @@
161
167
 
162
168
  <!-- External labels above -->
163
169
  {#each segments as segment (segment.element)}
164
- {#if show_labels && segment.needs_external_label &&
165
- segment.external_label_position === `above`}
170
+ {#if show_labels && segment.needs_external_label && segment.external_label_position === `above`}
166
171
  <text
167
172
  x={segment.label_x}
168
173
  y={above_labels_y}
@@ -205,20 +210,19 @@
205
210
  class:hovered={hovered_element === segment.element}
206
211
  onmouseenter={() => interactive && (hovered_element = segment.element)}
207
212
  onmouseleave={() => interactive && (hovered_element = null)}
208
- {...(interactive
209
- ? {
210
- role: `button`,
211
- tabindex: 0,
212
- 'aria-label': `${segment.element}: ${segment.amount} ${
213
- segment.amount === 1 ? `atom` : `atoms`
214
- } (${format_num(segment.fraction, `.1~%`)})`,
215
- }
216
- : {})}
213
+ {...interactive
214
+ ? {
215
+ role: `button`,
216
+ tabindex: 0,
217
+ 'aria-label': `${segment.element}: ${segment.amount} ${
218
+ segment.amount === 1 ? `atom` : `atoms`
219
+ } (${format_num(segment.fraction, `.1~%`)})`,
220
+ }
221
+ : {}}
217
222
  >
218
223
  <title>
219
- {segment.element}: {segment.amount} {segment.amount === 1 ? `atom` : `atoms`} ({
220
- format_num(segment.fraction, `.1~%`)
221
- })
224
+ {segment.element}: {segment.amount}
225
+ {segment.amount === 1 ? `atom` : `atoms`} ({format_num(segment.fraction, `.1~%`)})
222
226
  </title>
223
227
  </rect>
224
228
  {#if segment_content}
@@ -245,8 +249,7 @@
245
249
 
246
250
  <!-- External labels below -->
247
251
  {#each segments as segment (segment.element)}
248
- {#if show_labels && segment.needs_external_label &&
249
- segment.external_label_position === `below`}
252
+ {#if show_labels && segment.needs_external_label && segment.external_label_position === `below`}
250
253
  <text
251
254
  x={segment.label_x}
252
255
  y={below_labels_y}
@@ -274,18 +277,21 @@
274
277
  .bar-segment.interactive {
275
278
  cursor: pointer;
276
279
  }
277
- .bar-segment.interactive:hover, .bar-segment.hovered {
280
+ .bar-segment.interactive:hover,
281
+ .bar-segment.hovered {
278
282
  filter: brightness(1.1);
279
283
  }
280
284
  .bar-segment.interactive:focus {
281
285
  outline: 2px solid var(--focus-color, #0066cc);
282
286
  outline-offset: 2px;
283
287
  }
284
- .external-label, .bar-label {
288
+ .external-label,
289
+ .bar-label {
285
290
  transition: all 0.2s ease;
286
291
  pointer-events: none;
287
292
  }
288
- .external-label.hovered, .bar-label.hovered {
293
+ .external-label.hovered,
294
+ .bar-label.hovered {
289
295
  font-weight: 700;
290
296
  }
291
297
  .element-symbol {
@@ -60,14 +60,13 @@
60
60
  }
61
61
 
62
62
  // Use D3's pack layout for proper circle packing
63
- const pack_layout = pack<HierarchyData | Child>().size([
64
- size - 2 * padding,
65
- size - 2 * padding,
66
- ]).padding(padding * 0.1) // Small padding between circles
63
+ const pack_layout = pack<HierarchyData | Child>()
64
+ .size([size - 2 * padding, size - 2 * padding])
65
+ .padding(padding * 0.1) // Small padding between circles
67
66
 
68
67
  const root = pack_layout(
69
- hierarchy<HierarchyData | Child>(hierarchy_data).sum(
70
- (data) => (`amount` in data ? data.amount : 0),
68
+ hierarchy<HierarchyData | Child>(hierarchy_data).sum((data) =>
69
+ `amount` in data ? data.amount : 0,
71
70
  ),
72
71
  )
73
72
 
@@ -82,8 +81,7 @@
82
81
  // Calculate font scale based on bubble size and smart text fitting
83
82
  const [min_font_scale, max_font_scale] = [0.6, 2] as const
84
83
  const scale_factor = radius / max_radius
85
- const base_scale = min_font_scale +
86
- scale_factor * (max_font_scale - min_font_scale)
84
+ const base_scale = min_font_scale + scale_factor * (max_font_scale - min_font_scale)
87
85
  const label_text = data.element + (show_amounts ? data.amount.toString() : ``)
88
86
  const available_space = radius * 2 * 0.8 // 80% of bubble diameter for text
89
87
  const font_scale = get_chart_font_scale(base_scale, label_text, available_space)
@@ -109,7 +107,7 @@
109
107
  viewBox="0 0 {size} {size}"
110
108
  style:max-width="{size}px"
111
109
  {...rest}
112
- class="bubble-chart {rest.class ?? ``}"
110
+ class={[`bubble-chart`, rest.class]}
113
111
  bind:this={svg_node}
114
112
  >
115
113
  {#each bubbles as bubble (bubble.element)}
@@ -134,7 +132,8 @@
134
132
  }}
135
133
  >
136
134
  <title>
137
- {bubble.element}: {bubble.amount} {bubble.amount === 1 ? `atom` : `atoms`}
135
+ {bubble.element}: {bubble.amount}
136
+ {bubble.amount === 1 ? `atom` : `atoms`}
138
137
  </title>
139
138
  </circle>
140
139
 
@@ -154,13 +153,13 @@
154
153
  class:hovered={hovered_element === bubble.element}
155
154
  >
156
155
  <div class="bubble-label" style:color={bubble.text_color}>
157
- <span class="element-symbol" style:font-size="{14 * bubble.font_scale}px">{
158
- bubble.element
159
- }</span>
156
+ <span class="element-symbol" style:font-size="{14 * bubble.font_scale}px"
157
+ >{bubble.element}</span
158
+ >
160
159
  {#if show_amounts}
161
- <sub class="amount" style:font-size="{8 * bubble.font_scale}px">{
162
- bubble.amount
163
- }</sub>
160
+ <sub class="amount" style:font-size="{8 * bubble.font_scale}px"
161
+ >{bubble.amount}</sub
162
+ >
164
163
  {/if}
165
164
  </div>
166
165
  </foreignObject>
@@ -177,7 +176,8 @@
177
176
  .bubble.interactive {
178
177
  cursor: pointer;
179
178
  }
180
- .bubble.interactive:hover, .bubble.hovered {
179
+ .bubble.interactive:hover,
180
+ .bubble.hovered {
181
181
  filter: brightness(1.1);
182
182
  }
183
183
  .bubble.interactive:focus {
@@ -30,9 +30,7 @@
30
30
  let current_mode = $state(untrack(() => mode))
31
31
  let svg_node = $state<SVGSVGElement | null>(null)
32
32
 
33
- let Component = $derived(
34
- { pie: PieChart, bubble: BubbleChart, bar: BarChart }[current_mode],
35
- )
33
+ let Component = $derived({ pie: PieChart, bubble: BubbleChart, bar: BarChart }[current_mode])
36
34
  let parsed: CompositionType = $derived.by(() => {
37
35
  try {
38
36
  return parse_composition(composition)
@@ -46,13 +44,14 @@
46
44
 
47
45
  let context_menu = $state({ open: false, x: 0, y: 0 })
48
46
 
49
- function handle_right_click(event: MouseEvent) { // open context menu
47
+ function handle_right_click(event: MouseEvent) {
48
+ // open context menu
50
49
  event.preventDefault()
51
50
  context_menu.open = false // Close any existing context menu first
52
51
  context_menu.x = event.pageX
53
52
  context_menu.y = event.pageY
54
53
  // Use a small delay to ensure the prev context menu closes happens before opening new one
55
- setTimeout(() => context_menu.open = true, 0)
54
+ setTimeout(() => (context_menu.open = true), 0)
56
55
  }
57
56
 
58
57
  const mode_options = [
@@ -89,10 +88,7 @@
89
88
  { title: sec_titles.export, options: export_options },
90
89
  ] as const
91
90
 
92
- function handle_context_menu_select(
93
- section_title: string,
94
- option: { value: string },
95
- ) {
91
+ function handle_context_menu_select(section_title: string, option: { value: string }) {
96
92
  if (section_title === sec_titles.display_mode) {
97
93
  current_mode = option.value as CompositionChartMode
98
94
  } else if (section_title === sec_titles.color_scheme) {
@@ -147,7 +143,7 @@
147
143
  aria-haspopup="menu"
148
144
  aria-expanded={context_menu.open}
149
145
  {...rest}
150
- class="composition {rest.class ?? ``}"
146
+ class={[`composition`, rest.class]}
151
147
  />
152
148
 
153
149
  {#if context_menu.open}
@@ -160,6 +156,6 @@
160
156
  on_select={handle_context_menu_select}
161
157
  position={context_menu}
162
158
  visible={context_menu.open}
163
- on_close={() => context_menu.open = false}
159
+ on_close={() => (context_menu.open = false)}
164
160
  />
165
161
  {/if}
@@ -6,11 +6,7 @@
6
6
  import ElementTile from '../element/ElementTile.svelte'
7
7
  import { format_num } from '../labels'
8
8
  import type { HTMLAttributes } from 'svelte/elements'
9
- import {
10
- format_oxi_state,
11
- sort_by_electronegativity,
12
- sort_by_hill_notation,
13
- } from './format'
9
+ import { format_oxi_state, sort_by_electronegativity, sort_by_hill_notation } from './format'
14
10
  import type { ElementWithOxidation, OxiComposition } from './parse'
15
11
  import { oxi_composition_to_elements, parse_formula_with_oxidation } from './parse'
16
12
 
@@ -63,9 +59,7 @@
63
59
  return sorted[0] === el1.element ? -1 : 1
64
60
  },
65
61
  }
66
- const sorted_elements = $derived(
67
- [...parsed_elements].sort(COMPARATORS[ordering]),
68
- )
62
+ const sorted_elements = $derived([...parsed_elements].sort(COMPARATORS[ordering]))
69
63
 
70
64
  let hovered_element = $state<ElementSymbol | null>(null)
71
65
  let tooltip_pos = $state({ x: 0, y: 0 })
@@ -97,7 +91,8 @@
97
91
  if (
98
92
  !formula_el.contains(selection.anchorNode) ||
99
93
  !formula_el.contains(selection.focusNode)
100
- ) return // Selection extends outside formula, let browser handle normally
94
+ )
95
+ return // Selection extends outside formula, let browser handle normally
101
96
  event.preventDefault()
102
97
  event.clipboardData?.setData(`text/plain`, plain_text_formula)
103
98
  }
@@ -106,8 +101,8 @@
106
101
  element: ElementSymbol,
107
102
  event: MouseEvent & { currentTarget: HTMLElement },
108
103
  ) {
109
- const { left, width, top, bottom, right, height } = event.currentTarget
110
- .getBoundingClientRect()
104
+ const { left, width, top, bottom, right, height } =
105
+ event.currentTarget.getBoundingClientRect()
111
106
  hovered_element = element
112
107
 
113
108
  const positions = {
@@ -121,12 +116,7 @@
121
116
  }
122
117
  </script>
123
118
 
124
- <svelte:element
125
- this={as}
126
- {...rest}
127
- class="formula {rest.class ?? ``}"
128
- oncopy={handle_copy}
129
- >
119
+ <svelte:element this={as} {...rest} class={[`formula`, rest.class]} oncopy={handle_copy}>
130
120
  {#each sorted_elements as { element, amount, oxidation_state } (element)}
131
121
  {@const color = ELEMENT_COLOR_SCHEMES[color_scheme]?.[element] ?? `#666666`}
132
122
  {@const lum = luminance(color)}
@@ -151,14 +141,16 @@
151
141
  class:light-border={lum < 0.15}
152
142
  style:color
153
143
  >
154
- {element}</span>
155
- <span class="script-wrapper">{#if has_oxidation}
144
+ {element}</span
145
+ >
146
+ <span class="script-wrapper"
147
+ >{#if has_oxidation}
156
148
  <sup class="oxi">{format_oxi_state(oxidation_state)}</sup>
157
149
  {/if}
158
150
  {#if amount !== 1}
159
- <sub class="amt" class:no-sup={!has_oxidation}>{
160
- format_num(amount, amount_format)
161
- }</sub>
151
+ <sub class="amt" class:no-sup={!has_oxidation}
152
+ >{format_num(amount, amount_format)}</sub
153
+ >
162
154
  {/if}
163
155
  </span>
164
156
  </span>
@@ -167,8 +159,8 @@
167
159
 
168
160
  {#if hovered_elem_data}
169
161
  {@const { x, y } = tooltip_pos}
170
- {@const tile_color = ELEMENT_COLOR_SCHEMES[color_scheme]?.[hovered_elem_data.symbol] ??
171
- `#666666`}
162
+ {@const tile_color =
163
+ ELEMENT_COLOR_SCHEMES[color_scheme]?.[hovered_elem_data.symbol] ?? `#666666`}
172
164
  {@const transforms = {
173
165
  top: `translate(-50%, -100%)`,
174
166
  bottom: `translateX(-50%)`,
@@ -250,7 +242,8 @@
250
242
  .script-wrapper:empty {
251
243
  display: none;
252
244
  }
253
- .amt, .oxi {
245
+ .amt,
246
+ .oxi {
254
247
  font-size: var(--formula-script-font-size, 0.7em);
255
248
  line-height: var(--formula-script-inner-line-height, 1);
256
249
  }