matterviz 0.4.1 → 0.4.3

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 (499) hide show
  1. package/dist/EmptyState.svelte +10 -4
  2. package/dist/FilePicker.svelte +48 -60
  3. package/dist/Icon.svelte +7 -4
  4. package/dist/MillerIndexInput.svelte +2 -2
  5. package/dist/api/optimade.js +10 -7
  6. package/dist/app.css +68 -0
  7. package/dist/brillouin/BrillouinZone.svelte +90 -91
  8. package/dist/brillouin/BrillouinZone.svelte.d.ts +5 -7
  9. package/dist/brillouin/BrillouinZoneControls.svelte +3 -6
  10. package/dist/brillouin/BrillouinZoneExportPane.svelte +18 -14
  11. package/dist/brillouin/BrillouinZoneInfoPane.svelte +6 -10
  12. package/dist/brillouin/BrillouinZoneScene.svelte +46 -68
  13. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
  14. package/dist/brillouin/compute.js +10 -16
  15. package/dist/brillouin/geometry.js +2 -2
  16. package/dist/chempot-diagram/ChemPotDiagram.svelte +48 -50
  17. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +61 -169
  18. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +1 -1
  19. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +559 -755
  20. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +1 -1
  21. package/dist/chempot-diagram/async-compute.svelte.js +13 -14
  22. package/dist/chempot-diagram/color.d.ts +21 -1
  23. package/dist/chempot-diagram/color.js +70 -1
  24. package/dist/chempot-diagram/compute.d.ts +7 -0
  25. package/dist/chempot-diagram/compute.js +85 -26
  26. package/dist/chempot-diagram/controls-state.svelte.js +1 -1
  27. package/dist/chempot-diagram/export.js +1 -6
  28. package/dist/chempot-diagram/temperature.js +9 -10
  29. package/dist/colors/index.d.ts +0 -4
  30. package/dist/colors/index.js +19 -20
  31. package/dist/composition/BarChart.svelte +30 -26
  32. package/dist/composition/BubbleChart.svelte +17 -17
  33. package/dist/composition/Composition.svelte +10 -19
  34. package/dist/composition/Formula.svelte +20 -27
  35. package/dist/composition/FormulaFilter.svelte +115 -184
  36. package/dist/composition/PieChart.svelte +55 -41
  37. package/dist/composition/format.js +7 -9
  38. package/dist/composition/index.d.ts +2 -0
  39. package/dist/composition/index.js +14 -0
  40. package/dist/composition/parse.d.ts +2 -2
  41. package/dist/composition/parse.js +61 -115
  42. package/dist/constants.d.ts +0 -1
  43. package/dist/constants.js +17 -26
  44. package/dist/convex-hull/ConvexHull.svelte +12 -15
  45. package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -1
  46. package/dist/convex-hull/ConvexHull2D.svelte +93 -94
  47. package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
  48. package/dist/convex-hull/ConvexHull3D.svelte +127 -186
  49. package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
  50. package/dist/convex-hull/ConvexHull4D.svelte +131 -180
  51. package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
  52. package/dist/convex-hull/ConvexHullChrome.svelte +36 -40
  53. package/dist/convex-hull/ConvexHullControls.svelte +46 -48
  54. package/dist/convex-hull/ConvexHullStats.svelte +193 -195
  55. package/dist/convex-hull/ConvexHullTooltip.svelte +5 -12
  56. package/dist/convex-hull/GasPressureControls.svelte +5 -12
  57. package/dist/convex-hull/StructurePopup.svelte +18 -22
  58. package/dist/convex-hull/StructurePopup.svelte.d.ts +2 -0
  59. package/dist/convex-hull/TemperatureSlider.svelte +4 -10
  60. package/dist/convex-hull/canvas-interactions.svelte.js +2 -1
  61. package/dist/convex-hull/gas-thermodynamics.js +21 -53
  62. package/dist/convex-hull/helpers.d.ts +8 -10
  63. package/dist/convex-hull/helpers.js +37 -43
  64. package/dist/convex-hull/hull-state.svelte.d.ts +1 -1
  65. package/dist/convex-hull/thermodynamics.js +37 -44
  66. package/dist/coordination/CoordinationBarPlot.svelte +49 -53
  67. package/dist/coordination/CoordinationBarPlot.svelte.d.ts +1 -1
  68. package/dist/coordination/calc-coordination.d.ts +1 -1
  69. package/dist/coordination/calc-coordination.js +28 -25
  70. package/dist/element/BohrAtom.svelte +5 -9
  71. package/dist/element/ElementHeading.svelte +4 -1
  72. package/dist/element/ElementPhoto.svelte +11 -9
  73. package/dist/element/ElementStats.svelte +12 -10
  74. package/dist/element/ElementTile.svelte +44 -67
  75. package/dist/element/Nucleus.svelte +4 -2
  76. package/dist/element/data.d.ts +3 -2
  77. package/dist/element/data.js +5 -1
  78. package/dist/element/helpers.d.ts +4 -0
  79. package/dist/element/helpers.js +18 -0
  80. package/dist/element/index.d.ts +2 -5
  81. package/dist/element/index.js +4 -19
  82. package/dist/feedback/DragOverlay.svelte +5 -5
  83. package/dist/feedback/DragOverlay.svelte.d.ts +2 -2
  84. package/dist/feedback/StatusMessage.svelte +7 -4
  85. package/dist/fermi-surface/FermiSlice.svelte +21 -18
  86. package/dist/fermi-surface/FermiSurface.svelte +35 -44
  87. package/dist/fermi-surface/FermiSurface.svelte.d.ts +7 -13
  88. package/dist/fermi-surface/FermiSurfaceControls.svelte +6 -20
  89. package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +1 -1
  90. package/dist/fermi-surface/FermiSurfaceScene.svelte +64 -136
  91. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
  92. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +9 -6
  93. package/dist/fermi-surface/compute.js +25 -58
  94. package/dist/fermi-surface/parse.js +54 -88
  95. package/dist/file-viewer/JsonBrowser.svelte +1043 -0
  96. package/dist/file-viewer/JsonBrowser.svelte.d.ts +9 -0
  97. package/dist/file-viewer/PlotPanel.svelte +350 -0
  98. package/dist/file-viewer/PlotPanel.svelte.d.ts +9 -0
  99. package/dist/file-viewer/TrajectoryWithDos.svelte +30 -0
  100. package/dist/file-viewer/TrajectoryWithDos.svelte.d.ts +10 -0
  101. package/dist/file-viewer/detect.d.ts +11 -0
  102. package/dist/file-viewer/detect.js +381 -0
  103. package/dist/file-viewer/eligibility.d.ts +4 -0
  104. package/dist/file-viewer/eligibility.js +53 -0
  105. package/dist/file-viewer/host-protocol.d.ts +50 -0
  106. package/dist/file-viewer/host-transfer.d.ts +25 -0
  107. package/dist/file-viewer/host-transfer.js +42 -0
  108. package/dist/file-viewer/index.d.ts +5 -0
  109. package/dist/file-viewer/index.js +5 -0
  110. package/dist/file-viewer/main.d.ts +44 -0
  111. package/dist/file-viewer/main.js +535 -0
  112. package/dist/file-viewer/parse.d.ts +9 -0
  113. package/dist/file-viewer/parse.js +170 -0
  114. package/dist/file-viewer/plot-utils.d.ts +24 -0
  115. package/dist/file-viewer/plot-utils.js +191 -0
  116. package/dist/file-viewer/types.d.ts +4 -0
  117. package/dist/file-viewer/types.js +5 -0
  118. package/dist/heatmap-matrix/HeatmapMatrix.svelte +153 -219
  119. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +2 -2
  120. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +9 -7
  121. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +1 -1
  122. package/dist/heatmap-matrix/index.d.ts +5 -0
  123. package/dist/icons.d.ts +4 -0
  124. package/dist/icons.js +4 -0
  125. package/dist/index.d.ts +2 -2
  126. package/dist/index.js +1 -1
  127. package/dist/io/ExportPane.svelte +11 -7
  128. package/dist/io/decompress.d.ts +4 -1
  129. package/dist/io/decompress.js +24 -36
  130. package/dist/io/export.d.ts +11 -4
  131. package/dist/io/export.js +75 -19
  132. package/dist/io/fetch.d.ts +0 -3
  133. package/dist/io/fetch.js +0 -11
  134. package/dist/io/file-drop.js +60 -35
  135. package/dist/io/index.d.ts +0 -1
  136. package/dist/io/index.js +2 -9
  137. package/dist/io/is-binary.d.ts +9 -0
  138. package/dist/io/is-binary.js +45 -1
  139. package/dist/io/url-drop.d.ts +2 -0
  140. package/dist/io/url-drop.js +40 -40
  141. package/dist/isosurface/Isosurface.svelte +700 -215
  142. package/dist/isosurface/Isosurface.svelte.d.ts +7 -1
  143. package/dist/isosurface/IsosurfaceControls.svelte +590 -116
  144. package/dist/isosurface/IsosurfaceControls.svelte.d.ts +1 -1
  145. package/dist/isosurface/VolumeSlice.svelte +224 -0
  146. package/dist/isosurface/VolumeSlice.svelte.d.ts +28 -0
  147. package/dist/isosurface/coloring.d.ts +20 -0
  148. package/dist/isosurface/coloring.js +118 -0
  149. package/dist/isosurface/geometry-worker-types.d.ts +38 -0
  150. package/dist/isosurface/geometry.worker.d.ts +1 -0
  151. package/dist/isosurface/geometry.worker.js +59 -0
  152. package/dist/isosurface/grid.d.ts +10 -0
  153. package/dist/isosurface/grid.js +31 -0
  154. package/dist/isosurface/index.d.ts +4 -0
  155. package/dist/isosurface/index.js +4 -0
  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 +6 -6
  159. package/dist/isosurface/profile.d.ts +12 -0
  160. package/dist/isosurface/profile.js +19 -0
  161. package/dist/isosurface/sampling.d.ts +34 -0
  162. package/dist/isosurface/sampling.js +408 -0
  163. package/dist/isosurface/slice-rendering.d.ts +13 -0
  164. package/dist/isosurface/slice-rendering.js +79 -0
  165. package/dist/isosurface/slice.d.ts +22 -2
  166. package/dist/isosurface/slice.js +200 -116
  167. package/dist/isosurface/types.d.ts +24 -1
  168. package/dist/isosurface/types.js +120 -8
  169. package/dist/json-path.d.ts +4 -0
  170. package/dist/json-path.js +89 -0
  171. package/dist/labels.d.ts +6 -2
  172. package/dist/labels.js +44 -14
  173. package/dist/layout/FullscreenButton.svelte +2 -1
  174. package/dist/layout/FullscreenToggle.svelte +10 -4
  175. package/dist/layout/InfoCard.svelte +8 -21
  176. package/dist/layout/InfoTag.svelte +1 -3
  177. package/dist/layout/NumberRangeInput.svelte +46 -0
  178. package/dist/layout/NumberRangeInput.svelte.d.ts +12 -0
  179. package/dist/layout/PropertyFilter.svelte +2 -6
  180. package/dist/layout/SettingsSection.svelte +57 -62
  181. package/dist/layout/SettingsSection.svelte.d.ts +6 -7
  182. package/dist/layout/SubpageGrid.svelte +3 -1
  183. package/dist/layout/ViewerChrome.svelte +16 -11
  184. package/dist/layout/ViewerChrome.svelte.d.ts +2 -1
  185. package/dist/layout/fullscreen.js +3 -5
  186. package/dist/layout/fullscreen.svelte.js +1 -2
  187. package/dist/layout/index.d.ts +1 -0
  188. package/dist/layout/index.js +1 -0
  189. package/dist/layout/json-tree/JsonNode.svelte +22 -59
  190. package/dist/layout/json-tree/JsonTree.svelte +101 -172
  191. package/dist/layout/json-tree/JsonValue.svelte +9 -32
  192. package/dist/layout/json-tree/utils.d.ts +0 -3
  193. package/dist/layout/json-tree/utils.js +50 -188
  194. package/dist/marching-cubes.d.ts +8 -1
  195. package/dist/marching-cubes.js +115 -48
  196. package/dist/math.d.ts +5 -2
  197. package/dist/math.js +48 -38
  198. package/dist/overlays/ContextMenu.svelte +19 -34
  199. package/dist/overlays/CopyButton.svelte +11 -5
  200. package/dist/overlays/DragControlTab.svelte +6 -1
  201. package/dist/overlays/DraggablePane.svelte +110 -74
  202. package/dist/overlays/DraggablePane.svelte.d.ts +2 -1
  203. package/dist/overlays/GlassChip.svelte +32 -0
  204. package/dist/overlays/GlassChip.svelte.d.ts +8 -0
  205. package/dist/overlays/InfoPaneCards.svelte +11 -23
  206. package/dist/overlays/index.d.ts +7 -0
  207. package/dist/overlays/index.js +26 -0
  208. package/dist/overlays/portal.d.ts +2 -0
  209. package/dist/overlays/portal.js +14 -0
  210. package/dist/periodic-table/PeriodicTable.svelte +113 -145
  211. package/dist/periodic-table/PeriodicTable.svelte.d.ts +5 -3
  212. package/dist/periodic-table/PeriodicTableControls.svelte +37 -115
  213. package/dist/periodic-table/TableInset.svelte +9 -4
  214. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +68 -105
  215. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -8
  216. package/dist/phase-diagram/PhaseDiagramControls.svelte +70 -94
  217. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +1 -1
  218. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +2 -1
  219. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +12 -12
  220. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +54 -58
  221. package/dist/phase-diagram/TdbInfoPanel.svelte +21 -15
  222. package/dist/phase-diagram/build-diagram.js +4 -9
  223. package/dist/phase-diagram/diagram-input.d.ts +1 -2
  224. package/dist/phase-diagram/parse.js +15 -15
  225. package/dist/phase-diagram/svg-to-diagram.js +28 -27
  226. package/dist/phase-diagram/utils.js +2 -3
  227. package/dist/plot/bar/BarPlot.svelte +461 -426
  228. package/dist/plot/bar/BarPlot.svelte.d.ts +2 -0
  229. package/dist/plot/bar/BarPlotControls.svelte +1 -3
  230. package/dist/plot/bar/BarPlotControls.svelte.d.ts +4 -6
  231. package/dist/plot/bar/SpacegroupBarPlot.svelte +46 -77
  232. package/dist/plot/bar/data.d.ts +5 -4
  233. package/dist/plot/bar/data.js +2 -1
  234. package/dist/plot/box/BoxPlot.svelte +322 -226
  235. package/dist/plot/box/BoxPlot.svelte.d.ts +2 -0
  236. package/dist/plot/box/Violin.svelte.d.ts +1 -0
  237. package/dist/plot/box/box-plot.js +1 -1
  238. package/dist/plot/core/auto-place.d.ts +1 -1
  239. package/dist/plot/core/auto-place.js +2 -2
  240. package/dist/plot/core/axis-utils.d.ts +12 -7
  241. package/dist/plot/core/axis-utils.js +48 -48
  242. package/dist/plot/core/components/AxisLabel.svelte +82 -20
  243. package/dist/plot/core/components/AxisLabel.svelte.d.ts +1 -0
  244. package/dist/plot/core/components/ColorBar.svelte +101 -106
  245. package/dist/plot/core/components/ColorScaleSelect.svelte +1 -1
  246. package/dist/plot/core/components/FillArea.svelte +10 -17
  247. package/dist/plot/core/components/HierarchyControls.svelte +249 -0
  248. package/dist/plot/{sunburst/SunburstControls.svelte.d.ts → core/components/HierarchyControls.svelte.d.ts} +12 -8
  249. package/dist/plot/core/components/InteractiveAxisLabel.svelte +1 -1
  250. package/dist/plot/core/components/InteractiveAxisLabel.svelte.d.ts +1 -1
  251. package/dist/plot/core/components/Line.svelte +18 -9
  252. package/dist/plot/core/components/Line.svelte.d.ts +2 -0
  253. package/dist/plot/core/components/PlotAxis.svelte +40 -17
  254. package/dist/plot/core/components/PlotControls.svelte +65 -41
  255. package/dist/plot/core/components/PlotLegend.svelte +31 -35
  256. package/dist/plot/core/components/PlotMarginals.svelte +616 -0
  257. package/dist/plot/core/components/PlotMarginals.svelte.d.ts +15 -0
  258. package/dist/plot/core/components/PlotTooltip.svelte +1 -1
  259. package/dist/plot/core/components/PortalSelect.svelte +4 -8
  260. package/dist/plot/core/components/ReferenceLine.svelte +27 -24
  261. package/dist/plot/core/components/ReferenceLine3D.svelte +54 -57
  262. package/dist/plot/core/components/ReferencePlane.svelte +7 -8
  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 +27 -474
  271. package/dist/plot/core/data-transform.d.ts +1 -2
  272. package/dist/plot/core/data-transform.js +9 -15
  273. package/dist/plot/core/fill-utils.d.ts +3 -1
  274. package/dist/plot/core/fill-utils.js +28 -6
  275. package/dist/plot/core/index.d.ts +1 -0
  276. package/dist/plot/core/index.js +1 -0
  277. package/dist/plot/core/interactions.js +0 -2
  278. package/dist/plot/core/layout.d.ts +15 -6
  279. package/dist/plot/core/layout.js +57 -38
  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 +2 -4
  283. package/dist/plot/core/pan-zoom.svelte.js +34 -17
  284. package/dist/plot/core/placed-tween.svelte.d.ts +3 -0
  285. package/dist/plot/core/placed-tween.svelte.js +68 -21
  286. package/dist/plot/core/reference-line.js +1 -1
  287. package/dist/plot/core/scales.d.ts +23 -0
  288. package/dist/plot/core/scales.js +39 -13
  289. package/dist/plot/core/svg.js +0 -1
  290. package/dist/plot/core/types/fills.d.ts +101 -0
  291. package/dist/plot/core/types/fills.js +15 -0
  292. package/dist/plot/core/types/plot-3d.d.ts +87 -0
  293. package/dist/plot/core/types/plot-3d.js +4 -0
  294. package/dist/plot/core/types/reference-lines.d.ts +140 -0
  295. package/dist/plot/core/types/reference-lines.js +9 -0
  296. package/dist/plot/core/types.d.ts +29 -324
  297. package/dist/plot/core/types.js +23 -20
  298. package/dist/plot/core/utils/hierarchy-chart.d.ts +52 -0
  299. package/dist/plot/core/utils/hierarchy-chart.js +191 -0
  300. package/dist/plot/core/utils/hierarchy-labels.d.ts +20 -0
  301. package/dist/plot/core/utils/hierarchy-labels.js +100 -0
  302. package/dist/plot/core/utils/label-placement.js +2 -2
  303. package/dist/plot/histogram/Histogram.svelte +314 -340
  304. package/dist/plot/histogram/Histogram.svelte.d.ts +7 -7
  305. package/dist/plot/histogram/HistogramControls.svelte +30 -28
  306. package/dist/plot/histogram/histogram.d.ts +31 -0
  307. package/dist/plot/histogram/histogram.js +70 -0
  308. package/dist/plot/histogram/index.d.ts +1 -0
  309. package/dist/plot/histogram/index.js +1 -0
  310. package/dist/plot/index.d.ts +1 -0
  311. package/dist/plot/index.js +1 -0
  312. package/dist/plot/sankey/Sankey.svelte +78 -69
  313. package/dist/plot/sankey/Sankey.svelte.d.ts +2 -2
  314. package/dist/plot/sankey/SankeyControls.svelte +22 -16
  315. package/dist/plot/sankey/sankey.js +13 -9
  316. package/dist/plot/scatter/BinnedScatterPlot.svelte +311 -141
  317. package/dist/plot/scatter/BinnedScatterPlot.svelte.d.ts +7 -0
  318. package/dist/plot/scatter/ElementScatter.svelte +4 -1
  319. package/dist/plot/scatter/ScatterPlot.svelte +517 -410
  320. package/dist/plot/scatter/ScatterPlot.svelte.d.ts +2 -0
  321. package/dist/plot/scatter/ScatterPlotControls.svelte +18 -19
  322. package/dist/plot/scatter/ScatterPlotControls.svelte.d.ts +1 -1
  323. package/dist/plot/scatter/ScatterPoint.svelte +16 -9
  324. package/dist/plot/scatter/adaptive-density.d.ts +1 -1
  325. package/dist/plot/scatter/adaptive-density.js +36 -20
  326. package/dist/plot/scatter/binned-scatter-types.d.ts +3 -2
  327. package/dist/plot/scatter/binned-scatter-types.js +6 -1
  328. package/dist/plot/scatter/scatter-data.d.ts +1 -1
  329. package/dist/plot/scatter/scatter-data.js +8 -7
  330. package/dist/plot/scatter-3d/ScatterPlot3D.svelte +25 -34
  331. package/dist/plot/scatter-3d/ScatterPlot3D.svelte.d.ts +2 -2
  332. package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte +8 -5
  333. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte +113 -116
  334. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte.d.ts +2 -2
  335. package/dist/plot/scatter-3d/Surface3D.svelte +4 -13
  336. package/dist/plot/sunburst/Sunburst.svelte +269 -347
  337. package/dist/plot/sunburst/Sunburst.svelte.d.ts +2 -2
  338. package/dist/plot/sunburst/index.d.ts +1 -1
  339. package/dist/plot/sunburst/index.js +2 -1
  340. package/dist/plot/sunburst/render.d.ts +2 -2
  341. package/dist/plot/sunburst/render.js +47 -22
  342. package/dist/plot/sunburst/sunburst.d.ts +5 -1
  343. package/dist/plot/sunburst/sunburst.js +10 -3
  344. package/dist/plot/treemap/Treemap.svelte +1022 -0
  345. package/dist/plot/treemap/Treemap.svelte.d.ts +90 -0
  346. package/dist/plot/treemap/index.d.ts +4 -0
  347. package/dist/plot/treemap/index.js +4 -0
  348. package/dist/plot/treemap/labels.d.ts +38 -0
  349. package/dist/plot/treemap/labels.js +80 -0
  350. package/dist/plot/treemap/treemap.d.ts +28 -0
  351. package/dist/plot/treemap/treemap.js +102 -0
  352. package/dist/rdf/RdfPlot.svelte +37 -59
  353. package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
  354. package/dist/rdf/calc-rdf.js +63 -52
  355. package/dist/rdf/index.d.ts +0 -1
  356. package/dist/sanitize.js +85 -27
  357. package/dist/scene/SceneCamera.svelte +1 -1
  358. package/dist/scene/SceneCamera.svelte.d.ts +1 -1
  359. package/dist/scene/bind-renderer.svelte.js +14 -6
  360. package/dist/scene/index.d.ts +1 -2
  361. package/dist/scene/index.js +1 -1
  362. package/dist/scene/{props.js → props.svelte.js} +15 -1
  363. package/dist/settings.d.ts +19 -9
  364. package/dist/settings.js +229 -525
  365. package/dist/spectral/Bands.svelte +207 -221
  366. package/dist/spectral/BandsAndDos.svelte +11 -9
  367. package/dist/spectral/BrillouinBandsDos.svelte +19 -42
  368. package/dist/spectral/Dos.svelte +92 -93
  369. package/dist/spectral/helpers.d.ts +3 -3
  370. package/dist/spectral/helpers.js +65 -140
  371. package/dist/state.svelte.js +5 -18
  372. package/dist/structure/Arrow.svelte +5 -18
  373. package/dist/structure/ArrowInstances.svelte +160 -0
  374. package/dist/structure/ArrowInstances.svelte.d.ts +16 -0
  375. package/dist/structure/AtomLegend.svelte +120 -85
  376. package/dist/structure/AtomLegend.svelte.d.ts +2 -3
  377. package/dist/structure/Bond.svelte +31 -23
  378. package/dist/structure/CanvasTooltip.svelte +15 -3
  379. package/dist/structure/CellSelect.svelte +45 -35
  380. package/dist/structure/Cylinder.svelte +24 -40
  381. package/dist/structure/InstancedAtoms.svelte +114 -0
  382. package/dist/structure/InstancedAtoms.svelte.d.ts +15 -0
  383. package/dist/structure/Lattice.svelte +85 -149
  384. package/dist/structure/SiteLabels.svelte +122 -0
  385. package/dist/structure/SiteLabels.svelte.d.ts +18 -0
  386. package/dist/structure/Structure.svelte +636 -504
  387. package/dist/structure/Structure.svelte.d.ts +4 -2
  388. package/dist/structure/StructureCarousel.svelte +637 -0
  389. package/dist/structure/StructureCarousel.svelte.d.ts +19 -0
  390. package/dist/structure/StructureControls.svelte +165 -425
  391. package/dist/structure/StructureControls.svelte.d.ts +1 -1
  392. package/dist/structure/StructureExportPane.svelte +17 -21
  393. package/dist/structure/StructureInfoPane.svelte +128 -133
  394. package/dist/structure/StructureInfoPane.svelte.d.ts +1 -1
  395. package/dist/structure/StructureScene.svelte +535 -578
  396. package/dist/structure/StructureScene.svelte.d.ts +6 -2
  397. package/dist/structure/StructureViewport.svelte +451 -0
  398. package/dist/structure/StructureViewport.svelte.d.ts +65 -0
  399. package/dist/structure/atom-label-placement.d.ts +16 -12
  400. package/dist/structure/atom-label-placement.js +70 -37
  401. package/dist/structure/atom-properties.d.ts +2 -0
  402. package/dist/structure/atom-properties.js +105 -38
  403. package/dist/structure/bond-order-perception.js +3 -8
  404. package/dist/structure/bonding.d.ts +9 -3
  405. package/dist/structure/bonding.js +95 -46
  406. package/dist/structure/edit-history.d.ts +6 -0
  407. package/dist/structure/edit-history.js +27 -0
  408. package/dist/structure/export.d.ts +1 -0
  409. package/dist/structure/export.js +89 -105
  410. package/dist/structure/format-detect.d.ts +1 -0
  411. package/dist/structure/format-detect.js +20 -0
  412. package/dist/structure/geometry.d.ts +9 -0
  413. package/dist/structure/geometry.js +27 -0
  414. package/dist/structure/index.d.ts +16 -1
  415. package/dist/structure/index.js +15 -10
  416. package/dist/structure/measure.d.ts +1 -1
  417. package/dist/structure/measure.js +6 -12
  418. package/dist/structure/parse.d.ts +2 -1
  419. package/dist/structure/parse.js +272 -313
  420. package/dist/structure/partial-occupancy.js +10 -5
  421. package/dist/structure/pbc.js +85 -107
  422. package/dist/structure/polyhedra.d.ts +0 -1
  423. package/dist/structure/polyhedra.js +7 -21
  424. package/dist/structure/prop-groups.d.ts +85 -0
  425. package/dist/structure/prop-groups.js +18 -0
  426. package/dist/structure/supercell.d.ts +1 -2
  427. package/dist/structure/supercell.js +7 -13
  428. package/dist/symmetry/SymmetryElements.svelte +11 -15
  429. package/dist/symmetry/SymmetryStats.svelte +55 -71
  430. package/dist/symmetry/WyckoffTable.svelte +10 -28
  431. package/dist/symmetry/cell-transform.js +6 -14
  432. package/dist/symmetry/index.d.ts +1 -0
  433. package/dist/symmetry/index.js +13 -10
  434. package/dist/symmetry/spacegroups.js +3 -2
  435. package/dist/table/HeatmapTable.svelte +1142 -447
  436. package/dist/table/HeatmapTable.svelte.d.ts +12 -2
  437. package/dist/table/ToggleMenu.svelte +168 -53
  438. package/dist/table/ToggleMenu.svelte.d.ts +1 -1
  439. package/dist/table/index.d.ts +21 -6
  440. package/dist/table/index.js +34 -21
  441. package/dist/theme/ThemeControl.svelte +16 -8
  442. package/dist/theme/embedded.d.ts +18 -0
  443. package/dist/theme/embedded.js +206 -0
  444. package/dist/theme/index.d.ts +5 -5
  445. package/dist/theme/index.js +5 -12
  446. package/dist/theme/themes.mjs +44 -66
  447. package/dist/tooltip/KCoords.svelte +4 -1
  448. package/dist/tooltip/TooltipContent.svelte +3 -6
  449. package/dist/tooltip/TooltipContent.svelte.d.ts +1 -1
  450. package/dist/tooltip/index.d.ts +8 -1
  451. package/dist/trajectory/Trajectory.svelte +613 -386
  452. package/dist/trajectory/Trajectory.svelte.d.ts +1 -1
  453. package/dist/trajectory/TrajectoryError.svelte +12 -74
  454. package/dist/trajectory/TrajectoryExportPane.svelte +14 -32
  455. package/dist/trajectory/TrajectoryInfoPane.svelte +127 -164
  456. package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +2 -1
  457. package/dist/trajectory/extract.js +61 -49
  458. package/dist/trajectory/format-detect.d.ts +2 -0
  459. package/dist/trajectory/format-detect.js +17 -13
  460. package/dist/trajectory/frame-reader.d.ts +2 -0
  461. package/dist/trajectory/frame-reader.js +35 -32
  462. package/dist/trajectory/helpers.d.ts +2 -0
  463. package/dist/trajectory/helpers.js +34 -56
  464. package/dist/trajectory/index.d.ts +1 -0
  465. package/dist/trajectory/index.js +5 -8
  466. package/dist/trajectory/parse/ase.js +1 -1
  467. package/dist/trajectory/parse/h5-utils.d.ts +13 -0
  468. package/dist/trajectory/parse/h5-utils.js +109 -0
  469. package/dist/trajectory/parse/hdf5.d.ts +1 -1
  470. package/dist/trajectory/parse/hdf5.js +116 -106
  471. package/dist/trajectory/parse/index.d.ts +6 -6
  472. package/dist/trajectory/parse/index.js +25 -33
  473. package/dist/trajectory/parse/lammps.js +8 -12
  474. package/dist/trajectory/parse/vasp.js +10 -7
  475. package/dist/trajectory/parse/vaspout-electronic.d.ts +13 -0
  476. package/dist/trajectory/parse/vaspout-electronic.js +207 -0
  477. package/dist/trajectory/parse/vaspout-h5.d.ts +4 -0
  478. package/dist/trajectory/parse/vaspout-h5.js +281 -0
  479. package/dist/trajectory/parse/xyz.js +59 -9
  480. package/dist/trajectory/plotting.d.ts +8 -9
  481. package/dist/trajectory/plotting.js +113 -64
  482. package/dist/utils.d.ts +3 -0
  483. package/dist/utils.js +7 -0
  484. package/dist/xrd/XrdPlot.svelte +79 -118
  485. package/dist/xrd/broadening.js +2 -1
  486. package/dist/xrd/calc-xrd.js +24 -62
  487. package/dist/xrd/parse.d.ts +0 -1
  488. package/dist/xrd/parse.js +69 -95
  489. package/package.json +94 -34
  490. package/readme.md +6 -5
  491. package/dist/api/mp.d.ts +0 -6
  492. package/dist/api/mp.js +0 -22
  493. package/dist/plot/sunburst/SunburstControls.svelte +0 -200
  494. package/dist/scene/types.d.ts +0 -26
  495. package/dist/tooltip/types.d.ts +0 -8
  496. package/dist/trajectory/constants.d.ts +0 -6
  497. package/dist/trajectory/constants.js +0 -11
  498. /package/dist/{scene/types.js → file-viewer/host-protocol.js} +0 -0
  499. /package/dist/{tooltip/types.js → isosurface/geometry-worker-types.js} +0 -0
@@ -28,19 +28,18 @@
28
28
  }
29
29
 
30
30
  // Face color mode display labels and tooltips
31
- const FACE_COLOR_MODES: Record<HullFaceColorMode, { label: string; tip: string }> =
32
- {
33
- uniform: { label: `Uniform`, tip: `Single uniform color for all faces` },
34
- formation_energy: {
35
- label: `Energy`,
36
- tip: `Color by average formation energy of face vertices`,
37
- },
38
- dominant_element: {
39
- label: `Element`,
40
- tip: `Color by element with highest concentration at face centroid`,
41
- },
42
- facet_index: { label: `Index`, tip: `Distinct categorical color per facet` },
43
- }
31
+ const FACE_COLOR_MODES: Record<HullFaceColorMode, { label: string; tip: string }> = {
32
+ uniform: { label: `Uniform`, tip: `Single uniform color for all faces` },
33
+ formation_energy: {
34
+ label: `Energy`,
35
+ tip: `Color by average formation energy of face vertices`,
36
+ },
37
+ dominant_element: {
38
+ label: `Element`,
39
+ tip: `Color by element with highest concentration at face centroid`,
40
+ },
41
+ facet_index: { label: `Index`, tip: `Distinct categorical color per facet` },
42
+ }
44
43
 
45
44
  let {
46
45
  color_mode = $bindable(`stability`),
@@ -118,9 +117,7 @@
118
117
  } = $props()
119
118
 
120
119
  // Focus the multiselect input next to the "Color scale" label
121
- function focus_multiselect(
122
- evt: Event & { currentTarget: HTMLElement },
123
- ): void {
120
+ function focus_multiselect(evt: Event & { currentTarget: HTMLElement }): void {
124
121
  evt.currentTarget.nextElementSibling?.querySelector<HTMLInputElement>(`input`)?.focus()
125
122
  }
126
123
 
@@ -173,13 +170,12 @@
173
170
  </h4>
174
171
 
175
172
  <!-- Energy source selection (only if both options are available) -->
176
- {#if has_precomputed_e_form && has_precomputed_hull && can_compute_e_form &&
177
- can_compute_hull}
173
+ {#if has_precomputed_e_form && has_precomputed_hull && can_compute_e_form && can_compute_hull}
178
174
  <div class="control-row">
179
175
  <span class="control-label">Energy source</span>
180
176
  <button
181
177
  class="toggle-btn {energy_source_mode === `precomputed` ? `active` : ``}"
182
- onclick={() => energy_source_mode = `precomputed`}
178
+ onclick={() => (energy_source_mode = `precomputed`)}
183
179
  {@attach tooltip({
184
180
  allow_html: true,
185
181
  content: `Use precomputed formation energies (E<sub>form</sub>)`,
@@ -189,11 +185,10 @@
189
185
  </button>
190
186
  <button
191
187
  class="toggle-btn {energy_source_mode === `on-the-fly` ? `active` : ``}"
192
- onclick={() => energy_source_mode = `on-the-fly`}
188
+ onclick={() => (energy_source_mode = `on-the-fly`)}
193
189
  {@attach tooltip({
194
190
  allow_html: true,
195
- content:
196
- `Compute formation energies and hull distances on the fly. Note: Missing pure-element reference entries default to E<sub>form</sub> = 0 eV/atom if not provided explicitly.`,
191
+ content: `Compute formation energies and hull distances on the fly. Note: Missing pure-element reference entries default to E<sub>form</sub> = 0 eV/atom if not provided explicitly.`,
197
192
  })}
198
193
  >
199
194
  On the fly
@@ -206,14 +201,14 @@
206
201
  <span class="control-label">Color mode</span>
207
202
  <button
208
203
  class="toggle-btn {color_mode === `stability` ? `active` : ``}"
209
- onclick={() => color_mode = `stability`}
204
+ onclick={() => (color_mode = `stability`)}
210
205
  {@attach tooltip({ content: `Color points by stable/unstable` })}
211
206
  >
212
207
  Stability
213
208
  </button>
214
209
  <button
215
210
  class="toggle-btn {color_mode === `energy` ? `active` : ``}"
216
- onclick={() => color_mode = `energy`}
211
+ onclick={() => (color_mode = `energy`)}
217
212
  {@attach tooltip({ content: `Color points by energy above hull` })}
218
213
  >
219
214
  Energy
@@ -253,33 +248,31 @@
253
248
  <div class="legend-items-container">
254
249
  <div
255
250
  class="legend-item clickable {show_stable ? `active` : `inactive`}"
256
- onclick={() => show_stable = !show_stable}
257
- onkeydown={legend_keydown(() => show_stable = !show_stable)}
251
+ onclick={() => (show_stable = !show_stable)}
252
+ onkeydown={legend_keydown(() => (show_stable = !show_stable))}
258
253
  role="button"
259
254
  tabindex="0"
260
255
  aria-pressed={show_stable}
261
256
  {@attach tooltip({ content: `Toggle visibility of stable points` })}
262
257
  >
263
258
  <div class="marker stable"></div>
264
- <span>Stable{
265
- merged_controls.show_counts ? ` (${stable_entries.length})` : ``
266
- }</span>
259
+ <span>Stable{merged_controls.show_counts ? ` (${stable_entries.length})` : ``}</span>
267
260
  </div>
268
261
  <div
269
262
  class="legend-item clickable {show_unstable ? `active` : `inactive`}"
270
- onclick={() => show_unstable = !show_unstable}
271
- onkeydown={legend_keydown(() => show_unstable = !show_unstable)}
263
+ onclick={() => (show_unstable = !show_unstable)}
264
+ onkeydown={legend_keydown(() => (show_unstable = !show_unstable))}
272
265
  role="button"
273
266
  tabindex="0"
274
267
  aria-pressed={show_unstable}
275
268
  {@attach tooltip({ content: `Toggle visibility of above-hull points` })}
276
269
  >
277
270
  <div class="marker unstable"></div>
278
- <span>Above hull{
279
- merged_controls.show_counts
271
+ <span
272
+ >Above hull{merged_controls.show_counts
280
273
  ? ` (${show_unstable ? unstable_entries.length : 0}/${unstable_entries.length})`
281
- : ``
282
- }</span>
274
+ : ``}</span
275
+ >
283
276
  </div>
284
277
  </div>
285
278
  </div>
@@ -294,8 +287,8 @@
294
287
  }}
295
288
  role="button"
296
289
  tabindex="0"
297
- style="cursor: pointer"
298
- >Color scale</span>
290
+ style="cursor: pointer">Color scale</span
291
+ >
299
292
  <ColorScaleSelect
300
293
  bind:value={color_scale}
301
294
  selected={[color_scale]}
@@ -331,11 +324,11 @@
331
324
  <svg viewBox="-6 -6 12 12" width="12" height="12" aria-hidden="true">
332
325
  <path d={marker_path_data(SWATCH_RADIUS, entry_category.markers[value]) ?? ``} />
333
326
  </svg>
334
- <span>{value}{
335
- merged_controls.show_counts
327
+ <span
328
+ >{value}{merged_controls.show_counts
336
329
  ? ` (${hidden ? `0/${count}` : count})`
337
- : ``
338
- }</span>
330
+ : ``}</span
331
+ >
339
332
  </div>
340
333
  {/each}
341
334
  </div>
@@ -372,8 +365,10 @@
372
365
  >
373
366
  <span class="control-label">Label threshold</span>
374
367
  <label style="display: flex; align-items: center; gap: 4px; flex: 1">
375
- <span style="white-space: nowrap">{max_hull_dist_show_labels.toFixed(2)}
376
- eV/atom</span>
368
+ <span style="white-space: nowrap"
369
+ >{max_hull_dist_show_labels.toFixed(2)}
370
+ eV/atom</span
371
+ >
377
372
  <input
378
373
  type="range"
379
374
  min="0"
@@ -421,9 +416,9 @@
421
416
  class="threshold-slider"
422
417
  style="flex: 1; min-width: 80px"
423
418
  />
424
- <span style="font-size: 0.9em; min-width: 2em; text-align: right">{
425
- format_num(hull_face_opacity, `.1%`)
426
- }</span>
419
+ <span style="font-size: 0.9em; min-width: 2em; text-align: right"
420
+ >{format_num(hull_face_opacity, `.1%`)}</span
421
+ >
427
422
  </div>
428
423
  </div>
429
424
 
@@ -451,7 +446,9 @@
451
446
  <!-- Ternary camera controls (elevation/azimuth) -->
452
447
  <label
453
448
  class="angle-input"
454
- {@attach tooltip({ content: `Elevation angle (0° = look down z-axis, 90° = side view, 180° = look up z-axis)` })}
449
+ {@attach tooltip({
450
+ content: `Elevation angle (0° = look down z-axis, 90° = side view, 180° = look up z-axis)`,
451
+ })}
455
452
  >
456
453
  <span>Elev</span>
457
454
  <input
@@ -541,7 +538,8 @@
541
538
  button {
542
539
  border: 1px solid var(--border-color, rgba(0, 0, 0, 0.2));
543
540
  }
544
- .toggle-btn.active, .toggle-btn:hover.active {
541
+ .toggle-btn.active,
542
+ .toggle-btn:hover.active {
545
543
  background: light-dark(rgba(25, 118, 210, 0.15), rgba(100, 180, 255, 0.2));
546
544
  }
547
545
  .legend-items-container {