matterviz 0.3.6 → 0.4.0

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 (926) 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 +44 -0
  5. package/dist/Icon.svelte.d.ts +13 -0
  6. package/dist/MillerIndexInput.svelte +66 -0
  7. package/dist/MillerIndexInput.svelte.d.ts +7 -0
  8. package/dist/api/mp.d.ts +6 -0
  9. package/dist/api/mp.js +22 -0
  10. package/dist/api/optimade.d.ts +45 -0
  11. package/dist/api/optimade.js +141 -0
  12. package/dist/app.css +244 -0
  13. package/dist/brillouin/BrillouinZone.svelte +554 -0
  14. package/dist/brillouin/BrillouinZone.svelte.d.ts +84 -0
  15. package/dist/brillouin/BrillouinZoneControls.svelte +144 -0
  16. package/dist/brillouin/BrillouinZoneControls.svelte.d.ts +17 -0
  17. package/dist/brillouin/BrillouinZoneExportPane.svelte +146 -0
  18. package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +15 -0
  19. package/dist/brillouin/BrillouinZoneInfoPane.svelte +146 -0
  20. package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +13 -0
  21. package/dist/brillouin/BrillouinZoneScene.svelte +522 -0
  22. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +49 -0
  23. package/dist/brillouin/BrillouinZoneTooltip.svelte +83 -0
  24. package/dist/brillouin/BrillouinZoneTooltip.svelte.d.ts +8 -0
  25. package/dist/brillouin/compute.d.ts +17 -0
  26. package/dist/brillouin/compute.js +422 -0
  27. package/dist/brillouin/index.d.ts +8 -0
  28. package/dist/brillouin/index.js +7 -0
  29. package/dist/brillouin/types.d.ts +43 -0
  30. package/dist/brillouin/types.js +1 -0
  31. package/dist/chempot-diagram/ChemPotDiagram.svelte +328 -0
  32. package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
  33. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +843 -0
  34. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
  35. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +3191 -0
  36. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
  37. package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
  38. package/dist/chempot-diagram/async-compute.svelte.d.ts +3 -0
  39. package/dist/chempot-diagram/async-compute.svelte.js +80 -0
  40. package/dist/chempot-diagram/chempot-worker.d.ts +1 -0
  41. package/dist/chempot-diagram/chempot-worker.js +12 -0
  42. package/dist/chempot-diagram/color.d.ts +10 -0
  43. package/dist/chempot-diagram/color.js +32 -0
  44. package/dist/chempot-diagram/compute.d.ts +48 -0
  45. package/dist/chempot-diagram/compute.js +804 -0
  46. package/dist/chempot-diagram/index.d.ts +6 -0
  47. package/dist/chempot-diagram/index.js +6 -0
  48. package/dist/chempot-diagram/pointer.d.ts +16 -0
  49. package/dist/chempot-diagram/pointer.js +40 -0
  50. package/dist/chempot-diagram/temperature.d.ts +15 -0
  51. package/dist/chempot-diagram/temperature.js +34 -0
  52. package/dist/chempot-diagram/types.d.ts +81 -0
  53. package/dist/chempot-diagram/types.js +28 -0
  54. package/dist/colors/index.d.ts +47 -0
  55. package/dist/colors/index.js +204 -0
  56. package/dist/composition/BarChart.svelte +297 -0
  57. package/dist/composition/BarChart.svelte.d.ts +39 -0
  58. package/dist/composition/BubbleChart.svelte +218 -0
  59. package/dist/composition/BubbleChart.svelte.d.ts +28 -0
  60. package/dist/composition/Composition.svelte +165 -0
  61. package/dist/composition/Composition.svelte.d.ts +15 -0
  62. package/dist/composition/Formula.svelte +268 -0
  63. package/dist/composition/Formula.svelte.d.ts +19 -0
  64. package/dist/composition/FormulaFilter.svelte +1263 -0
  65. package/dist/composition/FormulaFilter.svelte.d.ts +51 -0
  66. package/dist/composition/PieChart.svelte +324 -0
  67. package/dist/composition/PieChart.svelte.d.ts +37 -0
  68. package/dist/composition/chem-sys.d.ts +8 -0
  69. package/dist/composition/chem-sys.js +85 -0
  70. package/dist/composition/format.d.ts +15 -0
  71. package/dist/composition/format.js +111 -0
  72. package/dist/composition/index.d.ts +21 -0
  73. package/dist/composition/index.js +15 -0
  74. package/dist/composition/parse.d.ts +56 -0
  75. package/dist/composition/parse.js +486 -0
  76. package/dist/constants.d.ts +29 -0
  77. package/dist/constants.js +99 -0
  78. package/dist/controls.d.ts +14 -0
  79. package/dist/controls.js +30 -0
  80. package/dist/convex-hull/ConvexHull.svelte +157 -0
  81. package/dist/convex-hull/ConvexHull.svelte.d.ts +13 -0
  82. package/dist/convex-hull/ConvexHull2D.svelte +827 -0
  83. package/dist/convex-hull/ConvexHull2D.svelte.d.ts +11 -0
  84. package/dist/convex-hull/ConvexHull3D.svelte +1801 -0
  85. package/dist/convex-hull/ConvexHull3D.svelte.d.ts +8 -0
  86. package/dist/convex-hull/ConvexHull4D.svelte +1394 -0
  87. package/dist/convex-hull/ConvexHull4D.svelte.d.ts +8 -0
  88. package/dist/convex-hull/ConvexHullControls.svelte +535 -0
  89. package/dist/convex-hull/ConvexHullControls.svelte.d.ts +48 -0
  90. package/dist/convex-hull/ConvexHullInfoPane.svelte +125 -0
  91. package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +20 -0
  92. package/dist/convex-hull/ConvexHullStats.svelte +929 -0
  93. package/dist/convex-hull/ConvexHullStats.svelte.d.ts +17 -0
  94. package/dist/convex-hull/ConvexHullTooltip.svelte +131 -0
  95. package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +33 -0
  96. package/dist/convex-hull/GasPressureControls.svelte +247 -0
  97. package/dist/convex-hull/GasPressureControls.svelte.d.ts +11 -0
  98. package/dist/convex-hull/StructurePopup.svelte +151 -0
  99. package/dist/convex-hull/StructurePopup.svelte.d.ts +18 -0
  100. package/dist/convex-hull/TemperatureSlider.svelte +140 -0
  101. package/dist/convex-hull/TemperatureSlider.svelte.d.ts +8 -0
  102. package/dist/convex-hull/barycentric-coords.d.ts +18 -0
  103. package/dist/convex-hull/barycentric-coords.js +182 -0
  104. package/dist/convex-hull/demo-temperature.d.ts +6 -0
  105. package/dist/convex-hull/demo-temperature.js +38 -0
  106. package/dist/convex-hull/gas-thermodynamics.d.ts +16 -0
  107. package/dist/convex-hull/gas-thermodynamics.js +306 -0
  108. package/dist/convex-hull/helpers.d.ts +117 -0
  109. package/dist/convex-hull/helpers.js +718 -0
  110. package/dist/convex-hull/index.d.ts +119 -0
  111. package/dist/convex-hull/index.js +58 -0
  112. package/dist/convex-hull/thermodynamics.d.ts +67 -0
  113. package/dist/convex-hull/thermodynamics.js +1757 -0
  114. package/dist/convex-hull/types.d.ts +162 -0
  115. package/dist/convex-hull/types.js +36 -0
  116. package/dist/coordination/CoordinationBarPlot.svelte +311 -0
  117. package/dist/coordination/CoordinationBarPlot.svelte.d.ts +30 -0
  118. package/dist/coordination/calc-coordination.d.ts +15 -0
  119. package/dist/coordination/calc-coordination.js +63 -0
  120. package/dist/coordination/index.d.ts +8 -0
  121. package/dist/coordination/index.js +7 -0
  122. package/dist/effects.svelte.d.ts +12 -0
  123. package/dist/effects.svelte.js +37 -0
  124. package/dist/element/BohrAtom.svelte.d.ts +20 -0
  125. package/dist/element/ElementHeading.svelte +26 -0
  126. package/dist/element/ElementHeading.svelte.d.ts +8 -0
  127. package/dist/element/ElementPhoto.svelte +57 -0
  128. package/dist/element/ElementPhoto.svelte.d.ts +9 -0
  129. package/dist/element/ElementStats.svelte +80 -0
  130. package/dist/element/ElementStats.svelte.d.ts +8 -0
  131. package/dist/element/ElementTile.svelte +484 -0
  132. package/dist/element/ElementTile.svelte.d.ts +29 -0
  133. package/dist/element/Nucleus.svelte.d.ts +17 -0
  134. package/dist/element/data.d.ts +2 -0
  135. package/dist/element/data.js +2 -0
  136. package/dist/element/index.d.ts +8 -0
  137. package/dist/element/index.js +7 -0
  138. package/dist/element/types.d.ts +57 -0
  139. package/dist/element/types.js +1 -0
  140. package/dist/feedback/ClickFeedback.svelte +58 -0
  141. package/dist/feedback/ClickFeedback.svelte.d.ts +12 -0
  142. package/dist/feedback/DragOverlay.svelte +42 -0
  143. package/dist/feedback/DragOverlay.svelte.d.ts +7 -0
  144. package/dist/feedback/Spinner.svelte.d.ts +7 -0
  145. package/dist/feedback/StatusMessage.svelte.d.ts +9 -0
  146. package/dist/feedback/index.d.ts +4 -0
  147. package/dist/feedback/index.js +4 -0
  148. package/dist/fermi-surface/FermiSlice.svelte +197 -0
  149. package/dist/fermi-surface/FermiSlice.svelte.d.ts +24 -0
  150. package/dist/fermi-surface/FermiSurface.svelte +606 -0
  151. package/dist/fermi-surface/FermiSurface.svelte.d.ts +83 -0
  152. package/dist/fermi-surface/FermiSurfaceControls.svelte +448 -0
  153. package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +35 -0
  154. package/dist/fermi-surface/FermiSurfaceScene.svelte +797 -0
  155. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +50 -0
  156. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +85 -0
  157. package/dist/fermi-surface/FermiSurfaceTooltip.svelte.d.ts +8 -0
  158. package/dist/fermi-surface/compute.d.ts +5 -0
  159. package/dist/fermi-surface/compute.js +538 -0
  160. package/dist/fermi-surface/constants.d.ts +9 -0
  161. package/dist/fermi-surface/constants.js +27 -0
  162. package/dist/fermi-surface/export.d.ts +5 -0
  163. package/dist/fermi-surface/export.js +51 -0
  164. package/dist/fermi-surface/index.d.ts +12 -0
  165. package/dist/fermi-surface/index.js +13 -0
  166. package/dist/fermi-surface/marching-cubes.d.ts +2 -0
  167. package/dist/fermi-surface/marching-cubes.js +2 -0
  168. package/dist/fermi-surface/parse.d.ts +2 -0
  169. package/dist/fermi-surface/parse.js +494 -0
  170. package/dist/fermi-surface/symmetry.d.ts +3 -0
  171. package/dist/fermi-surface/symmetry.js +46 -0
  172. package/dist/fermi-surface/types.d.ts +111 -0
  173. package/dist/fermi-surface/types.js +4 -0
  174. package/dist/heatmap-matrix/HeatmapMatrix.svelte +1547 -0
  175. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
  176. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  177. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +30 -0
  178. package/dist/heatmap-matrix/index.d.ts +53 -0
  179. package/dist/heatmap-matrix/index.js +100 -0
  180. package/dist/heatmap-matrix/shared.d.ts +2 -0
  181. package/dist/heatmap-matrix/shared.js +4 -0
  182. package/dist/icons.d.ts +569 -0
  183. package/dist/icons.js +648 -0
  184. package/dist/index.d.ts +39 -0
  185. package/dist/index.js +39 -0
  186. package/dist/io/decompress.d.ts +11 -0
  187. package/dist/io/decompress.js +76 -0
  188. package/dist/io/export.d.ts +16 -0
  189. package/dist/io/export.js +338 -0
  190. package/dist/io/fetch.d.ts +5 -0
  191. package/dist/io/fetch.js +43 -0
  192. package/dist/io/file-drop.d.ts +7 -0
  193. package/dist/io/file-drop.js +42 -0
  194. package/dist/io/index.d.ts +7 -0
  195. package/dist/io/index.js +6 -0
  196. package/dist/io/is-binary.d.ts +1 -0
  197. package/dist/io/is-binary.js +20 -0
  198. package/dist/io/types.d.ts +8 -0
  199. package/dist/io/types.js +1 -0
  200. package/dist/io/url-drop.d.ts +2 -0
  201. package/dist/io/url-drop.js +154 -0
  202. package/dist/isosurface/Isosurface.svelte +285 -0
  203. package/dist/isosurface/Isosurface.svelte.d.ts +8 -0
  204. package/dist/isosurface/IsosurfaceControls.svelte +277 -0
  205. package/dist/isosurface/IsosurfaceControls.svelte.d.ts +9 -0
  206. package/dist/isosurface/index.d.ts +5 -0
  207. package/dist/isosurface/index.js +6 -0
  208. package/dist/isosurface/parse.d.ts +6 -0
  209. package/dist/isosurface/parse.js +552 -0
  210. package/dist/isosurface/slice.d.ts +11 -0
  211. package/dist/isosurface/slice.js +141 -0
  212. package/dist/isosurface/types.d.ts +56 -0
  213. package/dist/isosurface/types.js +227 -0
  214. package/dist/keyboard.d.ts +3 -0
  215. package/dist/keyboard.js +23 -0
  216. package/dist/labels.d.ts +53 -0
  217. package/dist/labels.js +278 -0
  218. package/dist/layout/FullscreenToggle.svelte +50 -0
  219. package/dist/layout/FullscreenToggle.svelte.d.ts +7 -0
  220. package/dist/layout/InfoCard.svelte +120 -0
  221. package/dist/layout/InfoCard.svelte.d.ts +21 -0
  222. package/dist/layout/InfoTag.svelte +185 -0
  223. package/dist/layout/InfoTag.svelte.d.ts +19 -0
  224. package/dist/layout/PropertyFilter.svelte +247 -0
  225. package/dist/layout/PropertyFilter.svelte.d.ts +24 -0
  226. package/dist/layout/SettingsSection.svelte +148 -0
  227. package/dist/layout/SettingsSection.svelte.d.ts +17 -0
  228. package/dist/layout/SubpageGrid.svelte +82 -0
  229. package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
  230. package/dist/layout/fullscreen.d.ts +9 -0
  231. package/dist/layout/fullscreen.js +53 -0
  232. package/dist/layout/index.d.ts +10 -0
  233. package/dist/layout/index.js +8 -0
  234. package/dist/layout/json-tree/JsonNode.svelte +548 -0
  235. package/dist/layout/json-tree/JsonNode.svelte.d.ts +11 -0
  236. package/dist/layout/json-tree/JsonTree.svelte +1230 -0
  237. package/dist/layout/json-tree/JsonTree.svelte.d.ts +6 -0
  238. package/dist/layout/json-tree/JsonValue.svelte.d.ts +9 -0
  239. package/dist/layout/json-tree/index.d.ts +3 -0
  240. package/dist/layout/json-tree/index.js +3 -0
  241. package/dist/layout/json-tree/types.d.ts +74 -0
  242. package/dist/layout/json-tree/types.js +2 -0
  243. package/dist/layout/json-tree/utils.d.ts +29 -0
  244. package/dist/layout/json-tree/utils.js +642 -0
  245. package/dist/marching-cubes.d.ts +14 -0
  246. package/dist/marching-cubes.js +535 -0
  247. package/dist/math.d.ts +105 -0
  248. package/dist/math.js +920 -0
  249. package/dist/overlays/ContextMenu.svelte +162 -0
  250. package/dist/overlays/ContextMenu.svelte.d.ts +25 -0
  251. package/dist/overlays/CopyButton.svelte +45 -0
  252. package/dist/overlays/CopyButton.svelte.d.ts +8 -0
  253. package/dist/overlays/DragControlTab.svelte +98 -0
  254. package/dist/overlays/DragControlTab.svelte.d.ts +8 -0
  255. package/dist/overlays/DraggablePane.svelte +487 -0
  256. package/dist/overlays/DraggablePane.svelte.d.ts +36 -0
  257. package/dist/overlays/InfoPaneCards.svelte +149 -0
  258. package/dist/overlays/InfoPaneCards.svelte.d.ts +22 -0
  259. package/dist/overlays/index.d.ts +3 -0
  260. package/dist/overlays/index.js +3 -0
  261. package/dist/periodic-table/PeriodicTable.svelte +480 -0
  262. package/dist/periodic-table/PeriodicTable.svelte.d.ts +55 -0
  263. package/dist/periodic-table/PeriodicTableControls.svelte +557 -0
  264. package/dist/periodic-table/PeriodicTableControls.svelte.d.ts +24 -0
  265. package/dist/periodic-table/PropertySelect.svelte +38 -0
  266. package/dist/periodic-table/PropertySelect.svelte.d.ts +13 -0
  267. package/dist/periodic-table/TableInset.svelte.d.ts +9 -0
  268. package/dist/periodic-table/index.d.ts +10 -0
  269. package/dist/periodic-table/index.js +4 -0
  270. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1092 -0
  271. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +44 -0
  272. package/dist/phase-diagram/PhaseDiagramControls.svelte +444 -0
  273. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +30 -0
  274. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +127 -0
  275. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
  276. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
  277. package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +19 -0
  278. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
  279. package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +16 -0
  280. package/dist/phase-diagram/TdbInfoPanel.svelte +203 -0
  281. package/dist/phase-diagram/TdbInfoPanel.svelte.d.ts +12 -0
  282. package/dist/phase-diagram/build-diagram.d.ts +11 -0
  283. package/dist/phase-diagram/build-diagram.js +160 -0
  284. package/dist/phase-diagram/colors.d.ts +35 -0
  285. package/dist/phase-diagram/colors.js +51 -0
  286. package/dist/phase-diagram/diagram-input.d.ts +29 -0
  287. package/dist/phase-diagram/diagram-input.js +3 -0
  288. package/dist/phase-diagram/index.d.ts +13 -0
  289. package/dist/phase-diagram/index.js +11 -0
  290. package/dist/phase-diagram/parse.d.ts +55 -0
  291. package/dist/phase-diagram/parse.js +273 -0
  292. package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
  293. package/dist/phase-diagram/svg-to-diagram.js +867 -0
  294. package/dist/phase-diagram/types.d.ts +93 -0
  295. package/dist/phase-diagram/types.js +1 -0
  296. package/dist/phase-diagram/utils.d.ts +118 -0
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  298. package/dist/plot/bar/BarPlot.svelte +1755 -0
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  300. package/dist/plot/bar/BarPlotControls.svelte +67 -0
  301. package/dist/plot/bar/BarPlotControls.svelte.d.ts +18 -0
  302. package/dist/plot/bar/SpacegroupBarPlot.svelte +293 -0
  303. package/dist/plot/bar/SpacegroupBarPlot.svelte.d.ts +9 -0
  304. package/dist/plot/bar/data.d.ts +40 -0
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  306. package/dist/plot/bar/geometry.d.ts +39 -0
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  308. package/dist/plot/bar/index.d.ts +3 -0
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  310. package/dist/plot/box/BoxPlot.svelte +1462 -0
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  312. package/dist/plot/box/BoxPlotControls.svelte +109 -0
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  314. package/dist/plot/box/Violin.svelte +14 -0
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  318. package/dist/plot/box/index.d.ts +5 -0
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  320. package/dist/plot/box/kde.d.ts +16 -0
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  322. package/dist/plot/box/quantile.d.ts +3 -0
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  324. package/dist/plot/core/auto-place.d.ts +43 -0
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  326. package/dist/plot/core/axis-utils.d.ts +46 -0
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  328. package/dist/plot/core/components/AxisLabel.svelte +51 -0
  329. package/dist/plot/core/components/AxisLabel.svelte.d.ts +16 -0
  330. package/dist/plot/core/components/ColorBar.svelte +724 -0
  331. package/dist/plot/core/components/ColorBar.svelte.d.ts +31 -0
  332. package/dist/plot/core/components/ColorScaleSelect.svelte +55 -0
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  334. package/dist/plot/core/components/ControlPane.svelte +46 -0
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  671. package/dist/src/lib/element/ElementHeading.svelte +0 -26
  672. package/dist/src/lib/element/ElementPhoto.svelte +0 -57
  673. package/dist/src/lib/element/ElementStats.svelte +0 -80
  674. package/dist/src/lib/element/ElementTile.svelte +0 -484
  675. package/dist/src/lib/element/data.ts +0 -14
  676. package/dist/src/lib/element/index.ts +0 -8
  677. package/dist/src/lib/element/types.ts +0 -62
  678. package/dist/src/lib/feedback/ClickFeedback.svelte +0 -58
  679. package/dist/src/lib/feedback/DragOverlay.svelte +0 -42
  680. package/dist/src/lib/feedback/index.ts +0 -4
  681. package/dist/src/lib/fermi-surface/FermiSlice.svelte +0 -189
  682. package/dist/src/lib/fermi-surface/FermiSurface.svelte +0 -600
  683. package/dist/src/lib/fermi-surface/FermiSurfaceControls.svelte +0 -448
  684. package/dist/src/lib/fermi-surface/FermiSurfaceScene.svelte +0 -794
  685. package/dist/src/lib/fermi-surface/FermiSurfaceTooltip.svelte +0 -111
  686. package/dist/src/lib/fermi-surface/compute.ts +0 -728
  687. package/dist/src/lib/fermi-surface/constants.ts +0 -32
  688. package/dist/src/lib/fermi-surface/export.ts +0 -64
  689. package/dist/src/lib/fermi-surface/index.ts +0 -14
  690. package/dist/src/lib/fermi-surface/marching-cubes.ts +0 -3
  691. package/dist/src/lib/fermi-surface/parse.ts +0 -574
  692. package/dist/src/lib/fermi-surface/symmetry.ts +0 -56
  693. package/dist/src/lib/fermi-surface/types.ts +0 -159
  694. package/dist/src/lib/heatmap-matrix/HeatmapMatrix.svelte +0 -1545
  695. package/dist/src/lib/heatmap-matrix/HeatmapMatrixControls.svelte +0 -225
  696. package/dist/src/lib/heatmap-matrix/index.ts +0 -167
  697. package/dist/src/lib/heatmap-matrix/shared.ts +0 -7
  698. package/dist/src/lib/icons.ts +0 -650
  699. package/dist/src/lib/index.ts +0 -61
  700. package/dist/src/lib/io/decompress.ts +0 -92
  701. package/dist/src/lib/io/export.ts +0 -385
  702. package/dist/src/lib/io/fetch.ts +0 -46
  703. package/dist/src/lib/io/file-drop.ts +0 -51
  704. package/dist/src/lib/io/index.ts +0 -7
  705. package/dist/src/lib/io/is-binary.ts +0 -24
  706. package/dist/src/lib/io/types.ts +0 -8
  707. package/dist/src/lib/io/url-drop.ts +0 -141
  708. package/dist/src/lib/isosurface/Isosurface.svelte +0 -285
  709. package/dist/src/lib/isosurface/IsosurfaceControls.svelte +0 -277
  710. package/dist/src/lib/isosurface/index.ts +0 -7
  711. package/dist/src/lib/isosurface/parse.ts +0 -656
  712. package/dist/src/lib/isosurface/slice.ts +0 -175
  713. package/dist/src/lib/isosurface/types.ts +0 -309
  714. package/dist/src/lib/labels.ts +0 -320
  715. package/dist/src/lib/layout/FullscreenToggle.svelte +0 -50
  716. package/dist/src/lib/layout/InfoCard.svelte +0 -120
  717. package/dist/src/lib/layout/InfoTag.svelte +0 -185
  718. package/dist/src/lib/layout/PropertyFilter.svelte +0 -246
  719. package/dist/src/lib/layout/SettingsSection.svelte +0 -148
  720. package/dist/src/lib/layout/SubpageGrid.svelte +0 -82
  721. package/dist/src/lib/layout/fullscreen.ts +0 -65
  722. package/dist/src/lib/layout/index.ts +0 -11
  723. package/dist/src/lib/layout/json-tree/JsonNode.svelte +0 -548
  724. package/dist/src/lib/layout/json-tree/JsonTree.svelte +0 -1230
  725. package/dist/src/lib/layout/json-tree/index.ts +0 -3
  726. package/dist/src/lib/layout/json-tree/types.ts +0 -126
  727. package/dist/src/lib/layout/json-tree/utils.ts +0 -682
  728. package/dist/src/lib/marching-cubes.ts +0 -614
  729. package/dist/src/lib/math.ts +0 -1081
  730. package/dist/src/lib/overlays/ContextMenu.svelte +0 -162
  731. package/dist/src/lib/overlays/CopyButton.svelte +0 -45
  732. package/dist/src/lib/overlays/DragControlTab.svelte +0 -98
  733. package/dist/src/lib/overlays/DraggablePane.svelte +0 -487
  734. package/dist/src/lib/overlays/InfoPaneCards.svelte +0 -149
  735. package/dist/src/lib/overlays/index.ts +0 -3
  736. package/dist/src/lib/periodic-table/PeriodicTable.svelte +0 -469
  737. package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +0 -557
  738. package/dist/src/lib/periodic-table/PropertySelect.svelte +0 -37
  739. package/dist/src/lib/periodic-table/index.ts +0 -12
  740. package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +0 -1086
  741. package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +0 -444
  742. package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +0 -126
  743. package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +0 -184
  744. package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +0 -391
  745. package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +0 -203
  746. package/dist/src/lib/phase-diagram/build-diagram.ts +0 -186
  747. package/dist/src/lib/phase-diagram/colors.ts +0 -58
  748. package/dist/src/lib/phase-diagram/diagram-input.ts +0 -40
  749. package/dist/src/lib/phase-diagram/index.ts +0 -13
  750. package/dist/src/lib/phase-diagram/parse.ts +0 -348
  751. package/dist/src/lib/phase-diagram/svg-to-diagram.ts +0 -1023
  752. package/dist/src/lib/phase-diagram/types.ts +0 -144
  753. package/dist/src/lib/phase-diagram/utils.ts +0 -775
  754. package/dist/src/lib/plot/AxisLabel.svelte +0 -51
  755. package/dist/src/lib/plot/BarPlot.svelte +0 -2113
  756. package/dist/src/lib/plot/BarPlotControls.svelte +0 -66
  757. package/dist/src/lib/plot/BinnedScatterPlot.svelte +0 -1114
  758. package/dist/src/lib/plot/ColorBar.svelte +0 -721
  759. package/dist/src/lib/plot/ColorScaleSelect.svelte +0 -54
  760. package/dist/src/lib/plot/ElementScatter.svelte +0 -63
  761. package/dist/src/lib/plot/FillArea.svelte +0 -223
  762. package/dist/src/lib/plot/Histogram.svelte +0 -1558
  763. package/dist/src/lib/plot/HistogramControls.svelte +0 -212
  764. package/dist/src/lib/plot/InteractiveAxisLabel.svelte +0 -96
  765. package/dist/src/lib/plot/Line.svelte +0 -84
  766. package/dist/src/lib/plot/PlotAxis.svelte +0 -169
  767. package/dist/src/lib/plot/PlotControls.svelte +0 -537
  768. package/dist/src/lib/plot/PlotLegend.svelte +0 -569
  769. package/dist/src/lib/plot/PlotTooltip.svelte +0 -67
  770. package/dist/src/lib/plot/PortalSelect.svelte +0 -253
  771. package/dist/src/lib/plot/ReferenceLine.svelte +0 -204
  772. package/dist/src/lib/plot/ReferenceLine3D.svelte +0 -156
  773. package/dist/src/lib/plot/ReferencePlane.svelte +0 -175
  774. package/dist/src/lib/plot/ScatterPlot.svelte +0 -2778
  775. package/dist/src/lib/plot/ScatterPlot3D.svelte +0 -529
  776. package/dist/src/lib/plot/ScatterPlot3DControls.svelte +0 -437
  777. package/dist/src/lib/plot/ScatterPlot3DScene.svelte +0 -912
  778. package/dist/src/lib/plot/ScatterPlotControls.svelte +0 -306
  779. package/dist/src/lib/plot/ScatterPoint.svelte +0 -182
  780. package/dist/src/lib/plot/SpacegroupBarPlot.svelte +0 -293
  781. package/dist/src/lib/plot/Surface3D.svelte +0 -197
  782. package/dist/src/lib/plot/ZeroLines.svelte +0 -97
  783. package/dist/src/lib/plot/ZoomRect.svelte +0 -23
  784. package/dist/src/lib/plot/adaptive-density.ts +0 -316
  785. package/dist/src/lib/plot/auto-place.ts +0 -184
  786. package/dist/src/lib/plot/axis-utils.ts +0 -122
  787. package/dist/src/lib/plot/binned-scatter-types.ts +0 -83
  788. package/dist/src/lib/plot/data-cleaning.ts +0 -1069
  789. package/dist/src/lib/plot/data-transform.ts +0 -69
  790. package/dist/src/lib/plot/defaults.ts +0 -9
  791. package/dist/src/lib/plot/fill-utils.ts +0 -494
  792. package/dist/src/lib/plot/hover-lock.svelte.ts +0 -60
  793. package/dist/src/lib/plot/index.ts +0 -53
  794. package/dist/src/lib/plot/interactions.ts +0 -119
  795. package/dist/src/lib/plot/layout.ts +0 -425
  796. package/dist/src/lib/plot/reference-line.ts +0 -426
  797. package/dist/src/lib/plot/scales.ts +0 -654
  798. package/dist/src/lib/plot/svg.ts +0 -23
  799. package/dist/src/lib/plot/types.ts +0 -1144
  800. package/dist/src/lib/plot/utils/label-placement.ts +0 -541
  801. package/dist/src/lib/plot/utils/series-visibility.ts +0 -140
  802. package/dist/src/lib/plot/utils.ts +0 -11
  803. package/dist/src/lib/rdf/RdfPlot.svelte +0 -247
  804. package/dist/src/lib/rdf/calc-rdf.ts +0 -167
  805. package/dist/src/lib/rdf/index.ts +0 -27
  806. package/dist/src/lib/sanitize.ts +0 -126
  807. package/dist/src/lib/settings.ts +0 -1479
  808. package/dist/src/lib/spectral/Bands.svelte +0 -1040
  809. package/dist/src/lib/spectral/BandsAndDos.svelte +0 -134
  810. package/dist/src/lib/spectral/BrillouinBandsDos.svelte +0 -252
  811. package/dist/src/lib/spectral/Dos.svelte +0 -697
  812. package/dist/src/lib/spectral/helpers.ts +0 -1381
  813. package/dist/src/lib/spectral/index.ts +0 -8
  814. package/dist/src/lib/spectral/types.ts +0 -112
  815. package/dist/src/lib/state.svelte.ts +0 -64
  816. package/dist/src/lib/structure/Arrow.svelte +0 -72
  817. package/dist/src/lib/structure/AtomLegend.svelte +0 -815
  818. package/dist/src/lib/structure/Bond.svelte +0 -140
  819. package/dist/src/lib/structure/CanvasTooltip.svelte +0 -33
  820. package/dist/src/lib/structure/CellSelect.svelte +0 -349
  821. package/dist/src/lib/structure/Cylinder.svelte +0 -45
  822. package/dist/src/lib/structure/Lattice.svelte +0 -196
  823. package/dist/src/lib/structure/Structure.svelte +0 -2248
  824. package/dist/src/lib/structure/StructureControls.svelte +0 -1273
  825. package/dist/src/lib/structure/StructureExportPane.svelte +0 -252
  826. package/dist/src/lib/structure/StructureInfoPane.svelte +0 -737
  827. package/dist/src/lib/structure/StructureScene.svelte +0 -2255
  828. package/dist/src/lib/structure/atom-properties.ts +0 -316
  829. package/dist/src/lib/structure/bond-order-perception.ts +0 -447
  830. package/dist/src/lib/structure/bonding.ts +0 -944
  831. package/dist/src/lib/structure/export.ts +0 -861
  832. package/dist/src/lib/structure/index.ts +0 -291
  833. package/dist/src/lib/structure/label-placement.ts +0 -130
  834. package/dist/src/lib/structure/measure.ts +0 -45
  835. package/dist/src/lib/structure/parse.ts +0 -1705
  836. package/dist/src/lib/structure/partial-occupancy.ts +0 -183
  837. package/dist/src/lib/structure/pbc.ts +0 -164
  838. package/dist/src/lib/structure/supercell.ts +0 -226
  839. package/dist/src/lib/structure/validation.ts +0 -11
  840. package/dist/src/lib/symmetry/SymmetryStats.svelte +0 -226
  841. package/dist/src/lib/symmetry/WyckoffTable.svelte +0 -120
  842. package/dist/src/lib/symmetry/cell-transform.ts +0 -118
  843. package/dist/src/lib/symmetry/index.ts +0 -348
  844. package/dist/src/lib/symmetry/spacegroups.ts +0 -404
  845. package/dist/src/lib/table/HeatmapTable.svelte +0 -1833
  846. package/dist/src/lib/table/ToggleMenu.svelte +0 -385
  847. package/dist/src/lib/table/index.ts +0 -139
  848. package/dist/src/lib/theme/ThemeControl.svelte +0 -53
  849. package/dist/src/lib/theme/index.ts +0 -107
  850. package/dist/src/lib/time.ts +0 -71
  851. package/dist/src/lib/tooltip/TooltipContent.svelte +0 -58
  852. package/dist/src/lib/tooltip/index.ts +0 -2
  853. package/dist/src/lib/tooltip/types.ts +0 -13
  854. package/dist/src/lib/trajectory/Trajectory.svelte +0 -1545
  855. package/dist/src/lib/trajectory/TrajectoryError.svelte +0 -128
  856. package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +0 -357
  857. package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +0 -313
  858. package/dist/src/lib/trajectory/constants.ts +0 -7
  859. package/dist/src/lib/trajectory/extract.ts +0 -196
  860. package/dist/src/lib/trajectory/format-detect.ts +0 -96
  861. package/dist/src/lib/trajectory/frame-reader.ts +0 -456
  862. package/dist/src/lib/trajectory/helpers.ts +0 -217
  863. package/dist/src/lib/trajectory/index.ts +0 -218
  864. package/dist/src/lib/trajectory/parse/ase.ts +0 -109
  865. package/dist/src/lib/trajectory/parse/hdf5.ts +0 -173
  866. package/dist/src/lib/trajectory/parse/index.ts +0 -411
  867. package/dist/src/lib/trajectory/parse/lammps.ts +0 -215
  868. package/dist/src/lib/trajectory/parse/vasp.ts +0 -102
  869. package/dist/src/lib/trajectory/parse/xyz.ts +0 -143
  870. package/dist/src/lib/trajectory/plotting.ts +0 -599
  871. package/dist/src/lib/trajectory/types.ts +0 -13
  872. package/dist/src/lib/utils.ts +0 -56
  873. package/dist/src/lib/xrd/XrdPlot.svelte +0 -615
  874. package/dist/src/lib/xrd/broadening.ts +0 -130
  875. package/dist/src/lib/xrd/calc-xrd.ts +0 -397
  876. package/dist/src/lib/xrd/index.ts +0 -38
  877. package/dist/src/lib/xrd/parse.ts +0 -858
  878. package/dist/webview.js +0 -29421
  879. package/icon.png +0 -0
  880. package/matterviz-0.3.2.vsix +0 -0
  881. package/matterviz-0.3.4.vsix +0 -0
  882. package/matterviz-0.3.5.vsix +0 -0
  883. package/scripts/sync-config.ts +0 -101
  884. package/src/declarations.d.ts +0 -2
  885. package/src/extension.ts +0 -972
  886. package/src/node-io.ts +0 -65
  887. package/src/types.ts +0 -17
  888. package/src/webview/JsonBrowser.svelte +0 -1079
  889. package/src/webview/PlotPanel.svelte +0 -346
  890. package/src/webview/detect.ts +0 -444
  891. package/src/webview/main.ts +0 -764
  892. package/src/webview/plot-utils.ts +0 -250
  893. package/test-fixtures/all-viz-types.json.gz +0 -0
  894. package/test-fixtures/plot-demo-data.json.gz +0 -0
  895. package/tests/detect.test.ts +0 -604
  896. package/tests/extension.test.ts +0 -2041
  897. package/tests/node-io.test.ts +0 -39
  898. package/tests/plot-utils.test.ts +0 -302
  899. package/tests/vite-plugin-json-gz.test.ts +0 -114
  900. package/tests/vscode-mock.ts +0 -18
  901. package/tests/webview.test.ts +0 -231
  902. package/tsconfig.json +0 -20
  903. package/vite-plugin-json-gz.ts +0 -29
  904. package/vite.config.ts +0 -34
  905. package/vite.extension.config.ts +0 -34
  906. /package/dist/{src/lib/EmptyState.svelte → EmptyState.svelte} +0 -0
  907. /package/dist/{src/lib/chempot-diagram → chempot-diagram}/ChemPotScene3D.svelte +0 -0
  908. /package/dist/{src/lib/colors → colors}/alloy-colors.json +0 -0
  909. /package/dist/{src/lib/colors → colors}/dark-mode-colors.json +0 -0
  910. /package/dist/{src/lib/colors → colors}/jmol-colors.json +0 -0
  911. /package/dist/{src/lib/colors → colors}/muted-colors.json +0 -0
  912. /package/dist/{src/lib/colors → colors}/pastel-colors.json +0 -0
  913. /package/dist/{src/lib/colors → colors}/vesta-colors.json +0 -0
  914. /package/dist/{src/lib/element → element}/BohrAtom.svelte +0 -0
  915. /package/dist/{src/lib/element → element}/Nucleus.svelte +0 -0
  916. /package/dist/{src/lib/element → element}/data.json +0 -0
  917. /package/dist/{src/lib/element → element}/data.json.gz +0 -0
  918. /package/dist/{src/lib/element → element}/data.json.gz.d.ts +0 -0
  919. /package/dist/{src/lib/element → element}/data.schema.json +0 -0
  920. /package/dist/{src/lib/element-image-urls.json → element-image-urls.json} +0 -0
  921. /package/dist/{src/lib/feedback → feedback}/Spinner.svelte +0 -0
  922. /package/dist/{src/lib/feedback → feedback}/StatusMessage.svelte +0 -0
  923. /package/dist/{src/lib/layout → layout}/json-tree/JsonValue.svelte +0 -0
  924. /package/dist/{src/lib/periodic-table → periodic-table}/TableInset.svelte +0 -0
  925. /package/dist/{src/lib/theme → theme}/themes.mjs +0 -0
  926. /package/dist/{src/lib/xrd → xrd}/atomic_scattering_params.json +0 -0
package/dist/labels.js ADDED
@@ -0,0 +1,278 @@
1
+ import { format } from 'd3-format';
2
+ import * as d3_symbols from 'd3-shape';
3
+ import { timeFormat } from 'd3-time-format';
4
+ const is_d3_symbol_name = (name) => Object.hasOwn(d3_symbols, `symbol${name}`);
5
+ function name_for_symbol(sym) {
6
+ for (const [key, symbol] of Object.entries(d3_symbols)) {
7
+ if (symbol === sym && /^symbol[A-Z]/.test(key)) {
8
+ const name = key.slice(6);
9
+ if (is_d3_symbol_name(name))
10
+ return name;
11
+ }
12
+ }
13
+ return null;
14
+ }
15
+ export const symbol_names = [
16
+ ...new Set([...d3_symbols.symbolsFill, ...d3_symbols.symbolsStroke]),
17
+ ]
18
+ .map(name_for_symbol)
19
+ .filter((n) => n !== null);
20
+ export const symbol_map = Object.fromEntries(
21
+ // Symbol lookup from d3-shape
22
+ symbol_names.map((name) => [name, d3_symbols[`symbol${name}`]]));
23
+ // Format a value for display with optional time formatting
24
+ export function format_value(value, formatter) {
25
+ if (!formatter)
26
+ return `${value}`;
27
+ if (formatter.startsWith(`%`))
28
+ return timeFormat(formatter)(new Date(value));
29
+ // Handle special values consistently
30
+ if (value === -Infinity)
31
+ return `-Infinity`;
32
+ if (value === Infinity)
33
+ return `Infinity`;
34
+ if (Number.isNaN(value))
35
+ return `NaN`;
36
+ // Format and normalize unicode minus
37
+ const formatted = format(formatter)(value).replaceAll('−', `-`);
38
+ // Handle percentage formatting - remove trailing zeros
39
+ if (formatter.includes(`%`)) {
40
+ return formatted.includes(`.`)
41
+ ? formatted.replace(/(\.\d*?)0+%$/, `$1%`).replace(/\.%$/, `%`)
42
+ : formatted;
43
+ }
44
+ // Handle currency formatting - preserve precision if specified
45
+ if (formatter.includes(`$`) && formatter.includes(`.`) && /\.\d+f/.test(formatter)) {
46
+ return formatted;
47
+ }
48
+ // Remove trailing zeros after decimal point
49
+ const out = formatted.includes(`.`)
50
+ ? formatted.replace(/(\.\d*?)0+$/, `$1`).replace(/\.$/, ``)
51
+ : formatted;
52
+ return out === `-0` ? `0` : out;
53
+ }
54
+ // TODO add labels and units for all elemental properties
55
+ export const ELEM_PROPERTY_LABELS = {
56
+ atomic_mass: [`Atomic Mass`, `u`],
57
+ atomic_radius: [`Atomic Radius`, `Å`],
58
+ boiling_point: [`Boiling Point`, `K`],
59
+ covalent_radius: [`Covalent Radius`, `Å`],
60
+ density: [`Density`, `g/cm³`],
61
+ electron_affinity: [`Electron Affinity`, null],
62
+ electronegativity: [`Electronegativity`, null],
63
+ first_ionization: [`First Ionization Energy`, `eV`],
64
+ melting_point: [`Melting Point`, `K`],
65
+ mendeleev_number: [`Mendeleev Number`, null],
66
+ // molar_heat: [`Molar Heat`, `J/(mol·K)`],
67
+ n_shells: [`Number of Shells`, null],
68
+ n_valence: [`Electron Valency`, null],
69
+ number: [`Atomic Number`, null],
70
+ shells: [`Electron Shell Occupations`, null],
71
+ specific_heat: [`Specific Heat`, `J/(g K)`],
72
+ };
73
+ export const ELEM_HEATMAP_KEYS = [
74
+ `atomic_mass`,
75
+ `atomic_radius`,
76
+ `covalent_radius`,
77
+ `electronegativity`,
78
+ `density`,
79
+ `boiling_point`,
80
+ `melting_point`,
81
+ `first_ionization`,
82
+ ];
83
+ export const ELEM_HEATMAP_LABELS = Object.fromEntries(ELEM_HEATMAP_KEYS.map((key) => {
84
+ const [label, unit] = ELEM_PROPERTY_LABELS[key] ?? [];
85
+ if (!label)
86
+ throw new Error(`Unexpected missing label for element property ${key}`);
87
+ return [label + (unit ? ` (${unit})` : ``), key];
88
+ }));
89
+ // Allow users to import DEFAULT_FMT and change its items in place to
90
+ // set the default number format globally
91
+ export const DEFAULT_FMT = [`,.3~s`, `.3~g`];
92
+ // Unicode glyphs for common fractions used by format_fractional()
93
+ export const FRACTION_GLYPHS = [
94
+ [0, `0`],
95
+ [1 / 12, `¹⁄₁₂`],
96
+ [1 / 8, `⅛`],
97
+ [1 / 6, `⅙`],
98
+ [1 / 5, `⅕`],
99
+ [1 / 4, `¼`],
100
+ [1 / 3, `⅓`],
101
+ [2 / 5, `⅖`],
102
+ [1 / 2, `½`],
103
+ [3 / 5, `⅗`],
104
+ [2 / 3, `⅔`],
105
+ [3 / 4, `¾`],
106
+ [4 / 5, `⁴⁄₅`],
107
+ [5 / 6, `⁵⁄₆`],
108
+ [7 / 8, `⁷⁄₈`],
109
+ [11 / 12, `¹¹⁄₁₂`],
110
+ ];
111
+ // fmt as number only allowed to support [].map(format_num) without type error
112
+ export const format_num = (num, fmt) => {
113
+ if (num === null)
114
+ return ``;
115
+ if (!fmt || typeof fmt !== `string`) {
116
+ const [gt_1_fmt, lt_1_fmt] = DEFAULT_FMT;
117
+ return format(Math.abs(num) >= 1 ? gt_1_fmt : lt_1_fmt)(num);
118
+ }
119
+ return format(fmt)(num);
120
+ };
121
+ // Format a 3D vector as "(x, y, z)" with configurable precision
122
+ export const format_vec3 = (vec, fmt_spec = `.4~`) => `(${format_num(vec[0], fmt_spec)}, ${format_num(vec[1], fmt_spec)}, ${format_num(vec[2], fmt_spec)})`;
123
+ const BYTE_UNITS = [`B`, `KiB`, `MiB`, `GiB`, `TiB`, `PiB`];
124
+ // Format file sizes using IEC binary units (1024 factor).
125
+ export const format_bytes = (bytes) => {
126
+ if (bytes === undefined || !Number.isFinite(bytes))
127
+ return `Unknown`;
128
+ let [val, idx] = [bytes, 0];
129
+ while (Math.abs(val) >= 1024 && idx < BYTE_UNITS.length - 1) {
130
+ val /= 1024;
131
+ idx++;
132
+ }
133
+ return idx === 0 ? `${val} B` : `${val.toFixed(2)} ${BYTE_UNITS[idx]}`;
134
+ };
135
+ // Replace common fractional values with unicode glyphs (e.g. 1/2 → ½)
136
+ export function format_fractional(value) {
137
+ if (!Number.isFinite(value))
138
+ return String(value);
139
+ const wrapped_value = ((value % 1) + 1) % 1; // wrap into [0,1)
140
+ const eps = 1e-3;
141
+ for (const [target, glyph] of FRACTION_GLYPHS) {
142
+ if (target === 0) {
143
+ if (Math.abs(wrapped_value - target) <= eps)
144
+ return glyph;
145
+ }
146
+ else if (Math.abs(wrapped_value - target) < eps)
147
+ return glyph;
148
+ }
149
+ for (const [target, glyph] of FRACTION_GLYPHS) {
150
+ if (target !== 0 && Math.abs(1 - wrapped_value - target) < eps)
151
+ return glyph;
152
+ }
153
+ return format_num(value, `.4~`);
154
+ }
155
+ export function parse_si_float(value) {
156
+ // if not string, return as is
157
+ if (typeof value !== `string`)
158
+ return value;
159
+ // Remove whitespace and commas
160
+ const cleaned = value.trim().replaceAll(/(\d),(\d)/g, `$1$2`);
161
+ // SI-formatted number (e.g. "1.23k", "789µ"). Suffixes are case-sensitive (m=milli vs
162
+ // M=mega), so no `i` flag: mismatched-case suffixes return the string as-is.
163
+ const match = /^([-+]?\d*\.?\d+)\s*([yzafpnµmkMGTPEZY])?$/.exec(cleaned);
164
+ if (match) {
165
+ const [, num_part, suffix] = match;
166
+ let multiplier = 1;
167
+ if (suffix) {
168
+ const suffixes = `yzafpnµm kMGTPEZY`;
169
+ const index = suffixes.indexOf(suffix);
170
+ if (index !== -1) {
171
+ multiplier = 1000 ** (index - 8);
172
+ }
173
+ }
174
+ return parseFloat(num_part) * multiplier;
175
+ }
176
+ // If it's a number without SI suffix, try parsing it
177
+ if (/^[-+]?[\d,]+\.?\d*$/.test(cleaned))
178
+ return parseFloat(cleaned);
179
+ // If the value is not a formatted number, return as is
180
+ return value;
181
+ }
182
+ export const CATEGORY_COUNTS = {
183
+ actinide: 15,
184
+ 'alkali metal': 6,
185
+ 'alkaline earth metal': 6,
186
+ 'diatomic nonmetal': 7,
187
+ lanthanide: 15,
188
+ metalloid: 8,
189
+ 'noble gas': 7,
190
+ 'polyatomic nonmetal': 4,
191
+ 'post-transition metal': 12,
192
+ 'transition metal': 38,
193
+ };
194
+ export const ELEMENT_CATEGORIES = [
195
+ `actinide`,
196
+ `alkali metal`,
197
+ `alkaline earth metal`,
198
+ `diatomic nonmetal`,
199
+ `lanthanide`,
200
+ `metalloid`,
201
+ `noble gas`,
202
+ `polyatomic nonmetal`,
203
+ `post-transition metal`,
204
+ `transition metal`,
205
+ ];
206
+ // oxfmt-ignore
207
+ export const ELEM_SYMBOLS = [`H`, `He`, `Li`, `Be`, `B`, `C`, `N`, `O`, `F`, `Ne`, `Na`, `Mg`, `Al`, `Si`, `P`, `S`, `Cl`, `Ar`, `K`, `Ca`, `Sc`, `Ti`, `V`, `Cr`, `Mn`, `Fe`, `Co`, `Ni`, `Cu`, `Zn`, `Ga`, `Ge`, `As`, `Se`, `Br`, `Kr`, `Rb`, `Sr`, `Y`, `Zr`, `Nb`, `Mo`, `Tc`, `Ru`, `Rh`, `Pd`, `Ag`, `Cd`, `In`, `Sn`, `Sb`, `Te`, `I`, `Xe`, `Cs`, `Ba`, `La`, `Ce`, `Pr`, `Nd`, `Pm`, `Sm`, `Eu`, `Gd`, `Tb`, `Dy`, `Ho`, `Er`, `Tm`, `Yb`, `Lu`, `Hf`, `Ta`, `W`, `Re`, `Os`, `Ir`, `Pt`, `Au`, `Hg`, `Tl`, `Pb`, `Bi`, `Po`, `At`, `Rn`, `Fr`, `Ra`, `Ac`, `Th`, `Pa`, `U`, `Np`, `Pu`, `Am`, `Cm`, `Bk`, `Cf`, `Es`, `Fm`, `Md`, `No`, `Lr`, `Rf`, `Db`, `Sg`, `Bh`, `Hs`, `Mt`, `Ds`, `Rg`, `Cn`, `Nh`, `Fl`, `Mc`, `Lv`, `Ts`, `Og`];
208
+ export const SUPERSCRIPT_MAP = {
209
+ '0': `⁰`,
210
+ '1': `¹`,
211
+ '2': `²`,
212
+ '3': `³`,
213
+ '4': `⁴`,
214
+ '5': `⁵`,
215
+ '6': `⁶`,
216
+ '7': `⁷`,
217
+ '8': `⁸`,
218
+ '9': `⁹`,
219
+ '+': `⁺`,
220
+ '-': `⁻`,
221
+ };
222
+ const is_superscript_key = (key) => key in SUPERSCRIPT_MAP;
223
+ export const SUBSCRIPT_MAP = {
224
+ '0': `₀`,
225
+ '1': `₁`,
226
+ '2': `₂`,
227
+ '3': `₃`,
228
+ '4': `₄`,
229
+ '5': `₅`,
230
+ '6': `₆`,
231
+ '7': `₇`,
232
+ '8': `₈`,
233
+ '9': `₉`,
234
+ };
235
+ // replaces all signs and digits with their unicode superscript equivalent
236
+ export const superscript_digits = (input) => input.replaceAll(/[\d+-]/g, (match) => is_superscript_key(match) ? SUPERSCRIPT_MAP[match] : match);
237
+ // Trajectory property configuration: clean labels and units as structured data
238
+ export const trajectory_property_config = {
239
+ // Energy properties
240
+ energy: { label: `Energy`, unit: `eV` },
241
+ Energy: { label: `Energy`, unit: `eV` },
242
+ energy_per_atom: { label: `Energy per atom`, unit: `eV/atom` },
243
+ potential_energy: { label: `Potential energy`, unit: `eV` },
244
+ kinetic_energy: { label: `Kinetic energy`, unit: `eV` },
245
+ total_energy: { label: `Total energy`, unit: `eV` },
246
+ // Force properties (common variations)
247
+ force_max: { label: `F<sub>max</sub>`, unit: `eV/Å` },
248
+ Fmax: { label: `F<sub>max</sub>`, unit: `eV/Å` },
249
+ fmax: { label: `F<sub>max</sub>`, unit: `eV/Å` },
250
+ 'Force Max': { label: `Force Max`, unit: `eV/Å` },
251
+ force_norm: { label: `F<sub>norm</sub>`, unit: `eV/Å` },
252
+ 'Force RMS': { label: `Force RMS`, unit: `eV/Å` },
253
+ // Structural properties
254
+ volume: { label: `Volume`, unit: `ų` },
255
+ Volume: { label: `Volume`, unit: `ų` },
256
+ density: { label: `Density`, unit: `g/cm³` },
257
+ Density: { label: `Density`, unit: `g/cm³` },
258
+ // Lattice parameters (common variations)
259
+ a: { label: `A`, unit: `Å` },
260
+ A: { label: `A`, unit: `Å` },
261
+ b: { label: `B`, unit: `Å` },
262
+ B: { label: `B`, unit: `Å` },
263
+ c: { label: `C`, unit: `Å` },
264
+ C: { label: `C`, unit: `Å` },
265
+ alpha: { label: `α`, unit: `°` },
266
+ Alpha: { label: `α`, unit: `°` },
267
+ beta: { label: `β`, unit: `°` },
268
+ Beta: { label: `β`, unit: `°` },
269
+ gamma: { label: `γ`, unit: `°` },
270
+ Gamma: { label: `γ`, unit: `°` },
271
+ // Thermodynamic properties
272
+ temperature: { label: `Temperature`, unit: `K` },
273
+ Temperature: { label: `Temperature`, unit: `K` },
274
+ pressure: { label: `Pressure`, unit: `GPa` },
275
+ Pressure: { label: `Pressure`, unit: `GPa` },
276
+ stress_max: { label: `σ<sub>max</sub>`, unit: `GPa` },
277
+ stress_frobenius: { label: `σ<sub>F</sub>`, unit: `GPa` },
278
+ };
@@ -0,0 +1,50 @@
1
+ <script lang="ts">
2
+ import Icon from '../Icon.svelte'
3
+ import type { HTMLButtonAttributes } from 'svelte/elements'
4
+
5
+ let {
6
+ fullscreen = $bindable(false),
7
+ class: className,
8
+ ...rest
9
+ }: HTMLButtonAttributes & {
10
+ fullscreen?: boolean
11
+ } = $props()
12
+ </script>
13
+
14
+ <button
15
+ class="fullscreen-toggle {className ?? ``}"
16
+ onclick={() => (fullscreen = !fullscreen)}
17
+ aria-label={fullscreen ? `Exit fullscreen` : `Enter fullscreen`}
18
+ type="button"
19
+ {...rest}
20
+ >
21
+ <Icon
22
+ icon={fullscreen ? `ExitFullscreen` : `Fullscreen`}
23
+ width="18"
24
+ height="18"
25
+ />
26
+ </button>
27
+
28
+ <style>
29
+ .fullscreen-toggle {
30
+ position: absolute;
31
+ top: var(--ctrl-btn-top, 5pt);
32
+ right: var(--fullscreen-btn-right, 4px);
33
+ z-index: var(--fullscreen-btn-z-index, 10);
34
+ display: flex;
35
+ align-items: center;
36
+ justify-content: center;
37
+ padding: var(--fullscreen-btn-padding, 2pt);
38
+ border-radius: var(--fullscreen-btn-border-radius, var(--border-radius, 3pt));
39
+ background-color: transparent;
40
+ cursor: pointer;
41
+ opacity: 0;
42
+ transition: opacity 0.2s, background-color 0.2s;
43
+ }
44
+ .fullscreen-toggle:hover, .fullscreen-toggle:focus {
45
+ background-color: color-mix(in srgb, currentColor 8%, transparent);
46
+ opacity: var(--fullscreen-btn-hover-opacity, 1);
47
+ }
48
+ /* Note: Parent component should add styles to show on parent hover */
49
+ /* Example: .parent:hover :global(.fullscreen-toggle) { opacity: 1; } */
50
+ </style>
@@ -0,0 +1,7 @@
1
+ import type { HTMLButtonAttributes } from 'svelte/elements';
2
+ type $$ComponentProps = HTMLButtonAttributes & {
3
+ fullscreen?: boolean;
4
+ };
5
+ declare const FullscreenToggle: import("svelte").Component<$$ComponentProps, {}, "fullscreen">;
6
+ type FullscreenToggle = ReturnType<typeof FullscreenToggle>;
7
+ export default FullscreenToggle;
@@ -0,0 +1,120 @@
1
+ <script lang="ts">
2
+ import { format_num } from '../labels'
3
+ import { sanitize_html } from '../sanitize'
4
+ import type { Snippet } from 'svelte'
5
+ import type { HTMLAttributes } from 'svelte/elements'
6
+
7
+ interface Props<T extends keyof HTMLElementTagNameMap = `section`>
8
+ extends HTMLAttributes<HTMLElementTagNameMap[T]> {
9
+ data?: {
10
+ title: string
11
+ value?: string | number | number[] | null
12
+ unit?: string
13
+ fmt?: string
14
+ condition?: boolean | number | null
15
+ tooltip?: string
16
+ }[]
17
+ title?: string
18
+ fallback?: string
19
+ fmt?: string
20
+ as?: T
21
+ title_snippet?: Snippet
22
+ fallback_snippet?: Snippet
23
+ }
24
+ let {
25
+ data = [],
26
+ title = ``,
27
+ fallback = ``,
28
+ fmt = `.2f`,
29
+ as = `section`,
30
+ title_snippet,
31
+ fallback_snippet,
32
+ ...rest
33
+ }: Props = $props()
34
+
35
+ let default_fmt = $derived(fmt) // rename fmt to default_fmt for internal use
36
+ </script>
37
+
38
+ <svelte:element this={as} {...rest} class="info-card {rest.class ?? ``}">
39
+ {#if title || title_snippet}
40
+ <h2>
41
+ {#if title_snippet}{@render title_snippet()}{:else}
42
+ {@html sanitize_html(title)}
43
+ {/if}
44
+ </h2>
45
+ {/if}
46
+ {#each data.filter((itm) =>
47
+ (!(`condition` in itm) || itm?.condition) && itm.value !== undefined &&
48
+ itm.value !== null
49
+ ) as
50
+ { title, value, unit, fmt = default_fmt, tooltip }
51
+ (title + value + unit + fmt)
52
+ }
53
+ <div>
54
+ <span class="title" {title}>
55
+ {@html sanitize_html(title)}
56
+ </span>
57
+ <strong title={tooltip ?? null}>
58
+ {@html sanitize_html(typeof value == `number` ? format_num(value, fmt) : value)}
59
+ {#if unit}
60
+ <small>{unit}</small>
61
+ {/if}
62
+ </strong>
63
+ </div>
64
+ {:else}
65
+ {#if fallback_snippet}{@render fallback_snippet()}{:else}
66
+ {fallback}
67
+ {/if}
68
+ {/each}
69
+ </svelte:element>
70
+
71
+ <style>
72
+ .info-card {
73
+ display: grid;
74
+ grid-template-columns: repeat(auto-fit, minmax(250px, 1fr));
75
+ box-sizing: border-box;
76
+ border-radius: var(--ic-radius, 3pt);
77
+ padding: var(--ic-padding, 10pt 12pt);
78
+ margin: var(--ic-margin, 1em 0);
79
+ gap: var(--ic-gap, 10pt 5%);
80
+ background-color: var(
81
+ --ic-bg,
82
+ light-dark(rgba(0, 0, 0, 0.05), rgba(255, 255, 255, 0.1))
83
+ );
84
+ font-size: var(--ic-font-size);
85
+ width: var(--ic-width);
86
+ }
87
+ h2 {
88
+ grid-column: 1 / -1;
89
+ margin: 0;
90
+ border-bottom: 1px solid
91
+ var(
92
+ --ic-title-border-color,
93
+ light-dark(rgba(0, 0, 0, 0.15), rgba(255, 255, 255, 0.3))
94
+ );
95
+ }
96
+ div {
97
+ display: flex;
98
+ justify-content: space-between;
99
+ align-items: center;
100
+ white-space: nowrap;
101
+ gap: var(--ic-value-gap);
102
+ }
103
+ div > span.title {
104
+ text-overflow: ellipsis;
105
+ overflow: hidden;
106
+ }
107
+ strong {
108
+ font-weight: 600;
109
+ margin: var(--ic-value-margin);
110
+ background-color: var(
111
+ --ic-value-bg,
112
+ light-dark(rgba(0, 0, 0, 0.05), rgba(255, 255, 255, 0.1))
113
+ );
114
+ padding: var(--ic-value-padding, 0 4pt);
115
+ border-radius: var(--ic-value-radius, 3pt);
116
+ }
117
+ strong small {
118
+ font-weight: normal;
119
+ }
120
+ </style>
@@ -0,0 +1,21 @@
1
+ import type { Snippet } from 'svelte';
2
+ import type { HTMLAttributes } from 'svelte/elements';
3
+ interface Props<T extends keyof HTMLElementTagNameMap = `section`> extends HTMLAttributes<HTMLElementTagNameMap[T]> {
4
+ data?: {
5
+ title: string;
6
+ value?: string | number | number[] | null;
7
+ unit?: string;
8
+ fmt?: string;
9
+ condition?: boolean | number | null;
10
+ tooltip?: string;
11
+ }[];
12
+ title?: string;
13
+ fallback?: string;
14
+ fmt?: string;
15
+ as?: T;
16
+ title_snippet?: Snippet;
17
+ fallback_snippet?: Snippet;
18
+ }
19
+ declare const InfoCard: import("svelte").Component<Props<"section">, {}, "">;
20
+ type InfoCard = ReturnType<typeof InfoCard>;
21
+ export default InfoCard;
@@ -0,0 +1,185 @@
1
+ <script lang="ts">
2
+ import Icon from '../Icon.svelte'
3
+ import { sanitize_html } from '../sanitize'
4
+ import type { Snippet } from 'svelte'
5
+ import { tooltip } from 'svelte-multiselect/attachments'
6
+ import type { HTMLAttributes } from 'svelte/elements'
7
+ import type { InfoTagSize, InfoTagVariant } from './index'
8
+
9
+ let {
10
+ label,
11
+ value,
12
+ copy_value,
13
+ title,
14
+ variant = `default`,
15
+ size = `md`,
16
+ removable = false,
17
+ disabled = false,
18
+ onclick,
19
+ onremove,
20
+ children,
21
+ ...rest
22
+ }: {
23
+ label: string // Label text (supports HTML)
24
+ value: string | number | undefined // Value to display (supports HTML)
25
+ copy_value?: string | number // Value to copy to clipboard (defaults to value)
26
+ title?: string // Tooltip text
27
+ variant?: InfoTagVariant // Visual variant for semantic meaning
28
+ size?: InfoTagSize // Size variant
29
+ removable?: boolean // Show remove/close button
30
+ disabled?: boolean // Disable interactions
31
+ onclick?: (event: MouseEvent) => void // Custom click handler (overrides copy-to-clipboard default)
32
+ onremove?: () => void // Callback when remove button is clicked
33
+ children?: Snippet<[]> // Additional content to render inside the tag
34
+ } & Omit<HTMLAttributes<HTMLSpanElement>, `onclick` | `onkeydown`> = $props()
35
+
36
+ let just_copied = $state(false)
37
+
38
+ async function copy_to_clipboard(): Promise<void> {
39
+ const to_copy = copy_value ?? value
40
+ if (to_copy === undefined) return
41
+ await navigator.clipboard.writeText(String(to_copy))
42
+ just_copied = true
43
+ setTimeout(() => (just_copied = false), 1000)
44
+ }
45
+
46
+ function handle_click(event: MouseEvent): void {
47
+ if (disabled) return
48
+ if (onclick) onclick(event)
49
+ else void copy_to_clipboard()
50
+ }
51
+
52
+ function handle_keydown(
53
+ event: KeyboardEvent & { currentTarget: HTMLElement },
54
+ ): void {
55
+ if (disabled || (event.key !== `Enter` && event.key !== ` `)) return
56
+ event.preventDefault()
57
+ event.currentTarget.click()
58
+ }
59
+
60
+ function handle_remove(event: MouseEvent): void {
61
+ event.stopPropagation()
62
+ onremove?.()
63
+ }
64
+ </script>
65
+
66
+ <span
67
+ role="button"
68
+ tabindex={disabled ? -1 : 0}
69
+ onclick={handle_click}
70
+ onkeydown={handle_keydown}
71
+ title={sanitize_html(title)}
72
+ {@attach tooltip({ allow_html: true })}
73
+ class="info-tag {variant} {size}"
74
+ class:disabled
75
+ aria-disabled={disabled}
76
+ {...rest}
77
+ >
78
+ {@html sanitize_html(label)}
79
+ <em>{@html sanitize_html(value)}</em>
80
+ {#if just_copied}
81
+ <Icon
82
+ icon="Check"
83
+ style="color: var(--success-color, #10b981); width: 12px; height: 12px"
84
+ class="copy-checkmark"
85
+ />
86
+ {/if}
87
+ {#if removable && !disabled}
88
+ <button type="button" onclick={handle_remove} aria-label="Remove">
89
+ <Icon icon="Close" style="width: 10px; height: 10px" />
90
+ </button>
91
+ {/if}
92
+ {@render children?.()}
93
+ </span>
94
+
95
+ <style>
96
+ .info-tag {
97
+ cursor: pointer;
98
+ position: relative;
99
+ transition: all 0.12s;
100
+ border: 1px solid;
101
+ white-space: nowrap;
102
+ border-color: color-mix(in srgb, var(--tag-color) 25%, transparent);
103
+ em {
104
+ font-style: normal;
105
+ font-weight: 600;
106
+ color: var(--tag-color);
107
+ }
108
+ &:hover:not(.disabled) {
109
+ background: color-mix(in srgb, var(--tag-color) 18%, transparent);
110
+ border-color: color-mix(in srgb, var(--tag-color) 40%, transparent);
111
+ }
112
+ &.sm {
113
+ font-size: 0.72em;
114
+ padding: 0 5pt;
115
+ border-radius: 4px;
116
+ }
117
+ &.md {
118
+ font-size: 0.8em;
119
+ padding: 1pt 6pt;
120
+ border-radius: 5px;
121
+ }
122
+ &.lg {
123
+ font-size: 0.9em;
124
+ padding: 3pt 8pt;
125
+ border-radius: 6px;
126
+ }
127
+ &.default {
128
+ --tag-color: var(--highlight, #4db6ff);
129
+ }
130
+ &.success {
131
+ --tag-color: var(--success-color, #10b981);
132
+ }
133
+ &.warning {
134
+ --tag-color: var(--warning-color, #f59e0b);
135
+ }
136
+ &.error {
137
+ --tag-color: var(--error-color, #ef4444);
138
+ }
139
+ &.info {
140
+ --tag-color: var(--info-color, #3b82f6);
141
+ }
142
+ &.disabled {
143
+ opacity: 0.5;
144
+ cursor: not-allowed;
145
+ }
146
+ &:active:not(.disabled) {
147
+ transform: scale(0.97);
148
+ }
149
+ :global(.copy-checkmark) {
150
+ position: absolute;
151
+ top: 50%;
152
+ right: 3pt;
153
+ transform: translateY(-50%);
154
+ background: rgba(16, 185, 129, 0.9);
155
+ border-radius: 50%;
156
+ padding: 2pt;
157
+ display: flex;
158
+ animation: pop-in 0.15s ease-out;
159
+ }
160
+ }
161
+ [aria-label='Remove'] {
162
+ display: flex;
163
+ align-items: center;
164
+ justify-content: center;
165
+ background: rgba(128, 128, 128, 0.1);
166
+ border: none;
167
+ cursor: pointer;
168
+ padding: 2pt;
169
+ margin-left: 2pt;
170
+ border-radius: 50%;
171
+ color: inherit;
172
+ opacity: 0.5;
173
+ &:hover {
174
+ opacity: 1;
175
+ background: rgba(239, 68, 68, 0.2);
176
+ color: var(--error-color, #ef4444);
177
+ }
178
+ }
179
+ @keyframes pop-in {
180
+ from {
181
+ opacity: 0;
182
+ transform: translateY(-50%) scale(0.5);
183
+ }
184
+ }
185
+ </style>
@@ -0,0 +1,19 @@
1
+ import type { Snippet } from 'svelte';
2
+ import type { HTMLAttributes } from 'svelte/elements';
3
+ import type { InfoTagSize, InfoTagVariant } from './index';
4
+ type $$ComponentProps = {
5
+ label: string;
6
+ value: string | number | undefined;
7
+ copy_value?: string | number;
8
+ title?: string;
9
+ variant?: InfoTagVariant;
10
+ size?: InfoTagSize;
11
+ removable?: boolean;
12
+ disabled?: boolean;
13
+ onclick?: (event: MouseEvent) => void;
14
+ onremove?: () => void;
15
+ children?: Snippet<[]>;
16
+ } & Omit<HTMLAttributes<HTMLSpanElement>, `onclick` | `onkeydown`>;
17
+ declare const InfoTag: import("svelte").Component<$$ComponentProps, {}, "">;
18
+ type InfoTag = ReturnType<typeof InfoTag>;
19
+ export default InfoTag;