matterviz 0.3.5 → 0.3.6

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (855) hide show
  1. package/.vscode/launch.json +13 -0
  2. package/.vscodeignore +7 -0
  3. package/dist/assets/STLExporter-BpTH3YHE.js +8 -0
  4. package/dist/assets/browser-DdDecX_W.js +1 -0
  5. package/dist/assets/export-qgn-H9y6.js +2 -0
  6. package/dist/assets/main-DiKYzti2.css +1 -0
  7. package/dist/assets/moyo_wasm_bg-0ocwg7xY.wasm +0 -0
  8. package/dist/extension.js +31293 -0
  9. package/dist/src/lib/FilePicker.svelte +360 -0
  10. package/dist/src/lib/MillerIndexInput.svelte +66 -0
  11. package/dist/src/lib/api/mp.ts +26 -0
  12. package/dist/src/lib/api/optimade.ts +204 -0
  13. package/dist/src/lib/brillouin/BrillouinZone.svelte +549 -0
  14. package/dist/src/lib/brillouin/BrillouinZoneControls.svelte +144 -0
  15. package/dist/src/lib/brillouin/BrillouinZoneExportPane.svelte +146 -0
  16. package/dist/src/lib/brillouin/BrillouinZoneInfoPane.svelte +146 -0
  17. package/dist/src/lib/brillouin/BrillouinZoneScene.svelte +476 -0
  18. package/dist/src/lib/brillouin/BrillouinZoneTooltip.svelte +92 -0
  19. package/dist/src/lib/brillouin/compute.ts +529 -0
  20. package/dist/src/lib/brillouin/index.ts +8 -0
  21. package/dist/src/lib/brillouin/types.ts +51 -0
  22. package/dist/src/lib/chempot-diagram/ChemPotDiagram.svelte +327 -0
  23. package/dist/src/lib/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
  24. package/dist/src/lib/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
  25. package/dist/src/lib/chempot-diagram/async-compute.svelte.ts +94 -0
  26. package/dist/src/lib/chempot-diagram/chempot-worker.ts +11 -0
  27. package/dist/src/lib/chempot-diagram/color.ts +42 -0
  28. package/dist/src/lib/chempot-diagram/compute.ts +1014 -0
  29. package/dist/src/lib/chempot-diagram/index.ts +6 -0
  30. package/dist/src/lib/chempot-diagram/pointer.ts +56 -0
  31. package/dist/src/lib/chempot-diagram/temperature.ts +77 -0
  32. package/dist/src/lib/chempot-diagram/types.ts +130 -0
  33. package/dist/src/lib/colors/index.ts +249 -0
  34. package/dist/src/lib/composition/BarChart.svelte +297 -0
  35. package/dist/src/lib/composition/BubbleChart.svelte +218 -0
  36. package/dist/src/lib/composition/Composition.svelte +165 -0
  37. package/dist/src/lib/composition/Formula.svelte +268 -0
  38. package/dist/src/lib/composition/FormulaFilter.svelte +1257 -0
  39. package/dist/src/lib/composition/PieChart.svelte +323 -0
  40. package/dist/src/lib/composition/format.ts +155 -0
  41. package/dist/src/lib/composition/index.ts +37 -0
  42. package/dist/src/lib/composition/parse.ts +605 -0
  43. package/dist/src/lib/constants.ts +134 -0
  44. package/dist/src/lib/controls.ts +42 -0
  45. package/dist/src/lib/convex-hull/ConvexHull.svelte +157 -0
  46. package/dist/src/lib/convex-hull/ConvexHull2D.svelte +825 -0
  47. package/dist/src/lib/convex-hull/ConvexHull3D.svelte +1801 -0
  48. package/dist/src/lib/convex-hull/ConvexHull4D.svelte +1398 -0
  49. package/dist/src/lib/convex-hull/ConvexHullControls.svelte +535 -0
  50. package/dist/src/lib/convex-hull/ConvexHullInfoPane.svelte +125 -0
  51. package/dist/src/lib/convex-hull/ConvexHullStats.svelte +929 -0
  52. package/dist/src/lib/convex-hull/ConvexHullTooltip.svelte +131 -0
  53. package/dist/src/lib/convex-hull/GasPressureControls.svelte +247 -0
  54. package/dist/src/lib/convex-hull/StructurePopup.svelte +151 -0
  55. package/dist/src/lib/convex-hull/TemperatureSlider.svelte +140 -0
  56. package/dist/src/lib/convex-hull/barycentric-coords.ts +246 -0
  57. package/dist/src/lib/convex-hull/demo-temperature.ts +63 -0
  58. package/dist/src/lib/convex-hull/gas-thermodynamics.ts +405 -0
  59. package/dist/src/lib/convex-hull/helpers.ts +932 -0
  60. package/dist/src/lib/convex-hull/index.ts +202 -0
  61. package/dist/src/lib/convex-hull/thermodynamics.ts +2192 -0
  62. package/dist/src/lib/convex-hull/types.ts +267 -0
  63. package/dist/src/lib/coordination/CoordinationBarPlot.svelte +311 -0
  64. package/dist/src/lib/coordination/calc-coordination.ts +93 -0
  65. package/dist/src/lib/coordination/index.ts +9 -0
  66. package/dist/src/lib/effects.svelte.ts +48 -0
  67. package/dist/src/lib/element/BohrAtom.svelte +147 -0
  68. package/dist/src/lib/element/ElementHeading.svelte +26 -0
  69. package/dist/src/lib/element/ElementPhoto.svelte +57 -0
  70. package/dist/src/lib/element/ElementStats.svelte +80 -0
  71. package/dist/src/lib/element/ElementTile.svelte +484 -0
  72. package/dist/src/lib/element/data.json.gz.d.ts +4 -0
  73. package/dist/src/lib/element/data.ts +14 -0
  74. package/dist/src/lib/element/index.ts +8 -0
  75. package/dist/src/lib/element/types.ts +62 -0
  76. package/dist/src/lib/feedback/ClickFeedback.svelte +58 -0
  77. package/dist/src/lib/feedback/DragOverlay.svelte +42 -0
  78. package/dist/src/lib/feedback/index.ts +4 -0
  79. package/dist/src/lib/fermi-surface/FermiSlice.svelte +189 -0
  80. package/dist/src/lib/fermi-surface/FermiSurface.svelte +600 -0
  81. package/dist/src/lib/fermi-surface/FermiSurfaceControls.svelte +448 -0
  82. package/dist/src/lib/fermi-surface/FermiSurfaceScene.svelte +794 -0
  83. package/dist/src/lib/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
  84. package/dist/src/lib/fermi-surface/compute.ts +728 -0
  85. package/dist/src/lib/fermi-surface/constants.ts +32 -0
  86. package/dist/src/lib/fermi-surface/export.ts +64 -0
  87. package/dist/src/lib/fermi-surface/index.ts +14 -0
  88. package/dist/src/lib/fermi-surface/marching-cubes.ts +3 -0
  89. package/dist/src/lib/fermi-surface/parse.ts +574 -0
  90. package/dist/src/lib/fermi-surface/symmetry.ts +56 -0
  91. package/dist/src/lib/fermi-surface/types.ts +159 -0
  92. package/dist/src/lib/heatmap-matrix/HeatmapMatrix.svelte +1545 -0
  93. package/dist/src/lib/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  94. package/dist/src/lib/heatmap-matrix/index.ts +167 -0
  95. package/dist/src/lib/heatmap-matrix/shared.ts +7 -0
  96. package/dist/src/lib/icons.ts +650 -0
  97. package/dist/src/lib/index.ts +61 -0
  98. package/dist/src/lib/io/decompress.ts +92 -0
  99. package/dist/src/lib/io/export.ts +385 -0
  100. package/dist/src/lib/io/fetch.ts +46 -0
  101. package/dist/src/lib/io/file-drop.ts +51 -0
  102. package/dist/src/lib/io/index.ts +7 -0
  103. package/dist/src/lib/io/is-binary.ts +24 -0
  104. package/dist/src/lib/io/types.ts +8 -0
  105. package/dist/src/lib/io/url-drop.ts +141 -0
  106. package/dist/src/lib/isosurface/Isosurface.svelte +285 -0
  107. package/dist/src/lib/isosurface/IsosurfaceControls.svelte +277 -0
  108. package/dist/src/lib/isosurface/index.ts +7 -0
  109. package/dist/src/lib/isosurface/parse.ts +656 -0
  110. package/dist/src/lib/isosurface/slice.ts +175 -0
  111. package/dist/src/lib/isosurface/types.ts +309 -0
  112. package/dist/src/lib/labels.ts +320 -0
  113. package/dist/src/lib/layout/FullscreenToggle.svelte +50 -0
  114. package/dist/src/lib/layout/InfoCard.svelte +120 -0
  115. package/dist/src/lib/layout/InfoTag.svelte +185 -0
  116. package/dist/src/lib/layout/PropertyFilter.svelte +246 -0
  117. package/dist/src/lib/layout/SettingsSection.svelte +148 -0
  118. package/dist/src/lib/layout/SubpageGrid.svelte +82 -0
  119. package/dist/src/lib/layout/fullscreen.ts +65 -0
  120. package/dist/src/lib/layout/index.ts +11 -0
  121. package/dist/src/lib/layout/json-tree/JsonNode.svelte +548 -0
  122. package/dist/src/lib/layout/json-tree/JsonTree.svelte +1230 -0
  123. package/dist/src/lib/layout/json-tree/JsonValue.svelte +334 -0
  124. package/dist/src/lib/layout/json-tree/index.ts +3 -0
  125. package/dist/src/lib/layout/json-tree/types.ts +126 -0
  126. package/dist/src/lib/layout/json-tree/utils.ts +682 -0
  127. package/dist/src/lib/marching-cubes.ts +614 -0
  128. package/dist/src/lib/math.ts +1081 -0
  129. package/dist/src/lib/overlays/ContextMenu.svelte +162 -0
  130. package/dist/src/lib/overlays/CopyButton.svelte +45 -0
  131. package/dist/src/lib/overlays/DragControlTab.svelte +98 -0
  132. package/dist/src/lib/overlays/DraggablePane.svelte +487 -0
  133. package/dist/src/lib/overlays/InfoPaneCards.svelte +149 -0
  134. package/dist/src/lib/overlays/index.ts +3 -0
  135. package/dist/src/lib/periodic-table/PeriodicTable.svelte +469 -0
  136. package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +557 -0
  137. package/dist/src/lib/periodic-table/PropertySelect.svelte +37 -0
  138. package/dist/src/lib/periodic-table/index.ts +12 -0
  139. package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
  140. package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +444 -0
  141. package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
  142. package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
  143. package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
  144. package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +203 -0
  145. package/dist/src/lib/phase-diagram/build-diagram.ts +186 -0
  146. package/dist/src/lib/phase-diagram/colors.ts +58 -0
  147. package/dist/src/lib/phase-diagram/diagram-input.ts +40 -0
  148. package/dist/src/lib/phase-diagram/index.ts +13 -0
  149. package/dist/src/lib/phase-diagram/parse.ts +348 -0
  150. package/dist/src/lib/phase-diagram/svg-to-diagram.ts +1023 -0
  151. package/dist/src/lib/phase-diagram/types.ts +144 -0
  152. package/dist/src/lib/phase-diagram/utils.ts +775 -0
  153. package/dist/src/lib/plot/AxisLabel.svelte +51 -0
  154. package/dist/src/lib/plot/BarPlot.svelte +2113 -0
  155. package/dist/src/lib/plot/BarPlotControls.svelte +66 -0
  156. package/dist/src/lib/plot/BinnedScatterPlot.svelte +1114 -0
  157. package/dist/src/lib/plot/ColorBar.svelte +721 -0
  158. package/dist/src/lib/plot/ColorScaleSelect.svelte +54 -0
  159. package/dist/src/lib/plot/ElementScatter.svelte +63 -0
  160. package/dist/src/lib/plot/FillArea.svelte +223 -0
  161. package/dist/src/lib/plot/Histogram.svelte +1558 -0
  162. package/dist/src/lib/plot/HistogramControls.svelte +212 -0
  163. package/dist/src/lib/plot/InteractiveAxisLabel.svelte +96 -0
  164. package/dist/src/lib/plot/Line.svelte +84 -0
  165. package/dist/src/lib/plot/PlotAxis.svelte +169 -0
  166. package/dist/src/lib/plot/PlotControls.svelte +537 -0
  167. package/dist/src/lib/plot/PlotLegend.svelte +569 -0
  168. package/dist/src/lib/plot/PlotTooltip.svelte +67 -0
  169. package/dist/src/lib/plot/PortalSelect.svelte +253 -0
  170. package/dist/src/lib/plot/ReferenceLine3D.svelte +156 -0
  171. package/dist/src/lib/plot/ReferencePlane.svelte +175 -0
  172. package/dist/src/lib/plot/ScatterPlot.svelte +2778 -0
  173. package/dist/src/lib/plot/ScatterPlot3D.svelte +529 -0
  174. package/dist/src/lib/plot/ScatterPlot3DControls.svelte +437 -0
  175. package/dist/src/lib/plot/ScatterPlot3DScene.svelte +912 -0
  176. package/dist/src/lib/plot/ScatterPlotControls.svelte +306 -0
  177. package/dist/src/lib/plot/ScatterPoint.svelte +182 -0
  178. package/dist/src/lib/plot/SpacegroupBarPlot.svelte +293 -0
  179. package/dist/src/lib/plot/Surface3D.svelte +197 -0
  180. package/dist/src/lib/plot/ZeroLines.svelte +97 -0
  181. package/dist/src/lib/plot/ZoomRect.svelte +23 -0
  182. package/dist/src/lib/plot/adaptive-density.ts +316 -0
  183. package/dist/src/lib/plot/auto-place.ts +184 -0
  184. package/dist/src/lib/plot/axis-utils.ts +122 -0
  185. package/dist/src/lib/plot/binned-scatter-types.ts +83 -0
  186. package/dist/src/lib/plot/data-cleaning.ts +1069 -0
  187. package/dist/src/lib/plot/data-transform.ts +69 -0
  188. package/dist/src/lib/plot/defaults.ts +9 -0
  189. package/dist/src/lib/plot/fill-utils.ts +494 -0
  190. package/dist/src/lib/plot/hover-lock.svelte.ts +60 -0
  191. package/dist/src/lib/plot/index.ts +53 -0
  192. package/dist/src/lib/plot/interactions.ts +119 -0
  193. package/dist/src/lib/plot/layout.ts +425 -0
  194. package/dist/src/lib/plot/reference-line.ts +426 -0
  195. package/dist/src/lib/plot/scales.ts +654 -0
  196. package/dist/src/lib/plot/svg.ts +23 -0
  197. package/dist/src/lib/plot/types.ts +1144 -0
  198. package/dist/src/lib/plot/utils/label-placement.ts +541 -0
  199. package/dist/src/lib/plot/utils/series-visibility.ts +140 -0
  200. package/dist/src/lib/plot/utils.ts +11 -0
  201. package/dist/src/lib/rdf/RdfPlot.svelte +247 -0
  202. package/dist/src/lib/rdf/calc-rdf.ts +167 -0
  203. package/dist/src/lib/rdf/index.ts +27 -0
  204. package/dist/src/lib/sanitize.ts +126 -0
  205. package/dist/src/lib/settings.ts +1479 -0
  206. package/dist/src/lib/spectral/Bands.svelte +1040 -0
  207. package/dist/src/lib/spectral/BandsAndDos.svelte +134 -0
  208. package/dist/src/lib/spectral/BrillouinBandsDos.svelte +252 -0
  209. package/dist/src/lib/spectral/Dos.svelte +697 -0
  210. package/dist/src/lib/spectral/helpers.ts +1381 -0
  211. package/dist/src/lib/spectral/index.ts +8 -0
  212. package/dist/src/lib/spectral/types.ts +112 -0
  213. package/dist/src/lib/state.svelte.ts +64 -0
  214. package/dist/src/lib/structure/Arrow.svelte +72 -0
  215. package/dist/src/lib/structure/AtomLegend.svelte +815 -0
  216. package/dist/src/lib/structure/Bond.svelte +140 -0
  217. package/dist/src/lib/structure/CanvasTooltip.svelte +33 -0
  218. package/dist/src/lib/structure/CellSelect.svelte +349 -0
  219. package/dist/src/lib/structure/Cylinder.svelte +45 -0
  220. package/dist/src/lib/structure/Lattice.svelte +196 -0
  221. package/dist/src/lib/structure/Structure.svelte +2248 -0
  222. package/dist/src/lib/structure/StructureControls.svelte +1273 -0
  223. package/dist/src/lib/structure/StructureExportPane.svelte +252 -0
  224. package/dist/src/lib/structure/StructureInfoPane.svelte +737 -0
  225. package/dist/src/lib/structure/StructureScene.svelte +2255 -0
  226. package/dist/src/lib/structure/atom-properties.ts +316 -0
  227. package/dist/src/lib/structure/bond-order-perception.ts +447 -0
  228. package/dist/src/lib/structure/bonding.ts +944 -0
  229. package/dist/src/lib/structure/export.ts +861 -0
  230. package/dist/src/lib/structure/index.ts +291 -0
  231. package/dist/src/lib/structure/label-placement.ts +130 -0
  232. package/dist/src/lib/structure/measure.ts +45 -0
  233. package/dist/src/lib/structure/parse.ts +1705 -0
  234. package/dist/src/lib/structure/partial-occupancy.ts +183 -0
  235. package/dist/src/lib/structure/pbc.ts +164 -0
  236. package/dist/src/lib/structure/supercell.ts +226 -0
  237. package/dist/src/lib/structure/validation.ts +11 -0
  238. package/dist/src/lib/symmetry/SymmetryStats.svelte +226 -0
  239. package/dist/src/lib/symmetry/WyckoffTable.svelte +120 -0
  240. package/dist/src/lib/symmetry/cell-transform.ts +118 -0
  241. package/dist/src/lib/symmetry/index.ts +348 -0
  242. package/dist/src/lib/symmetry/spacegroups.ts +404 -0
  243. package/dist/src/lib/table/HeatmapTable.svelte +1833 -0
  244. package/dist/src/lib/table/ToggleMenu.svelte +385 -0
  245. package/dist/src/lib/table/index.ts +139 -0
  246. package/dist/src/lib/theme/ThemeControl.svelte +53 -0
  247. package/dist/src/lib/theme/index.ts +107 -0
  248. package/dist/src/lib/theme/themes.mjs +297 -0
  249. package/dist/src/lib/time.ts +71 -0
  250. package/dist/src/lib/tooltip/TooltipContent.svelte +58 -0
  251. package/dist/src/lib/tooltip/index.ts +2 -0
  252. package/dist/src/lib/tooltip/types.ts +13 -0
  253. package/dist/src/lib/trajectory/Trajectory.svelte +1545 -0
  254. package/dist/src/lib/trajectory/TrajectoryError.svelte +128 -0
  255. package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +357 -0
  256. package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +313 -0
  257. package/dist/src/lib/trajectory/constants.ts +7 -0
  258. package/dist/src/lib/trajectory/extract.ts +196 -0
  259. package/dist/src/lib/trajectory/format-detect.ts +96 -0
  260. package/dist/src/lib/trajectory/frame-reader.ts +456 -0
  261. package/dist/src/lib/trajectory/helpers.ts +217 -0
  262. package/dist/src/lib/trajectory/index.ts +218 -0
  263. package/dist/src/lib/trajectory/parse/ase.ts +109 -0
  264. package/dist/src/lib/trajectory/parse/hdf5.ts +173 -0
  265. package/dist/src/lib/trajectory/parse/index.ts +411 -0
  266. package/dist/src/lib/trajectory/parse/lammps.ts +215 -0
  267. package/dist/src/lib/trajectory/parse/vasp.ts +102 -0
  268. package/dist/src/lib/trajectory/parse/xyz.ts +143 -0
  269. package/dist/src/lib/trajectory/plotting.ts +599 -0
  270. package/dist/src/lib/trajectory/types.ts +13 -0
  271. package/dist/src/lib/utils.ts +56 -0
  272. package/dist/src/lib/xrd/XrdPlot.svelte +615 -0
  273. package/dist/src/lib/xrd/broadening.ts +130 -0
  274. package/dist/src/lib/xrd/calc-xrd.ts +397 -0
  275. package/dist/src/lib/xrd/index.ts +38 -0
  276. package/dist/src/lib/xrd/parse.ts +858 -0
  277. package/dist/webview.js +29421 -0
  278. package/icon.png +0 -0
  279. package/license +1 -1
  280. package/matterviz-0.3.2.vsix +0 -0
  281. package/matterviz-0.3.4.vsix +0 -0
  282. package/matterviz-0.3.5.vsix +0 -0
  283. package/package.json +1460 -215
  284. package/readme.md +171 -98
  285. package/scripts/sync-config.ts +101 -0
  286. package/src/declarations.d.ts +2 -0
  287. package/src/extension.ts +972 -0
  288. package/src/node-io.ts +65 -0
  289. package/src/types.ts +17 -0
  290. package/src/webview/JsonBrowser.svelte +1079 -0
  291. package/src/webview/PlotPanel.svelte +346 -0
  292. package/src/webview/detect.ts +444 -0
  293. package/src/webview/main.ts +764 -0
  294. package/src/webview/plot-utils.ts +250 -0
  295. package/test-fixtures/all-viz-types.json.gz +0 -0
  296. package/test-fixtures/plot-demo-data.json.gz +0 -0
  297. package/tests/detect.test.ts +604 -0
  298. package/tests/extension.test.ts +2041 -0
  299. package/tests/node-io.test.ts +39 -0
  300. package/tests/plot-utils.test.ts +302 -0
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  302. package/tests/vscode-mock.ts +18 -0
  303. package/tests/webview.test.ts +231 -0
  304. package/tsconfig.json +20 -0
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  306. package/vite.config.ts +34 -0
  307. package/vite.extension.config.ts +34 -0
  308. package/dist/EmptyState.svelte.d.ts +0 -9
  309. package/dist/FilePicker.svelte +0 -360
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  312. package/dist/MillerIndexInput.svelte +0 -66
  313. package/dist/MillerIndexInput.svelte.d.ts +0 -7
  314. package/dist/api/mp.d.ts +0 -6
  315. package/dist/api/mp.js +0 -22
  316. package/dist/api/optimade.d.ts +0 -45
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  318. package/dist/brillouin/BrillouinZone.svelte +0 -546
  319. package/dist/brillouin/BrillouinZone.svelte.d.ts +0 -83
  320. package/dist/brillouin/BrillouinZoneControls.svelte +0 -144
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@@ -1,606 +0,0 @@
1
- import { add_alpha } from '../colors';
2
- import { format_num } from '../labels';
3
- import { point_in_polygon } from '../math';
4
- import { line } from 'd3-shape';
5
- // Convert temperature between units (K, °C, °F)
6
- export function convert_temp(value, from, to) {
7
- if (from === to)
8
- return value;
9
- // Convert to Kelvin first
10
- const kelvin = from === `°C` ? value + 273.15 : from === `°F` ? (value - 32) * (5 / 9) + 273.15 : value;
11
- // Convert from Kelvin to target
12
- return to === `K` ? kelvin : to === `°C` ? kelvin - 273.15 : (kelvin - 273.15) * (9 / 5) + 32;
13
- }
14
- // Centralized defaults for phase diagram configuration (single source of truth)
15
- export const PHASE_DIAGRAM_DEFAULTS = Object.freeze({
16
- // Visibility
17
- show_boundaries: true,
18
- show_labels: true,
19
- show_special_points: true,
20
- show_grid: true,
21
- show_component_labels: true,
22
- // Appearance
23
- font_size: 12,
24
- special_point_radius: 5,
25
- // Axes
26
- x_ticks: 5,
27
- y_ticks: 6,
28
- // Tie-line
29
- tie_line: Object.freeze({
30
- stroke_width: 1.5,
31
- endpoint_radius: 4,
32
- cursor_radius: 5,
33
- }),
34
- // Colors
35
- colors: Object.freeze({
36
- background: `transparent`,
37
- grid: `rgba(128, 128, 128, 0.3)`,
38
- axis: `var(--text-color, #333)`,
39
- text: `var(--text-color, #333)`,
40
- boundary: `#333`,
41
- special_point: `#d32f2f`,
42
- }),
43
- // Margins
44
- margin: Object.freeze({ t: 25, r: 25, b: 50, l: 60 }),
45
- // Export
46
- png_dpi: 150,
47
- });
48
- // Merge partial config with defaults - single helper for consistent merging
49
- export function merge_phase_diagram_config(config) {
50
- return {
51
- margin: { ...PHASE_DIAGRAM_DEFAULTS.margin, ...config.margin },
52
- font_size: config.font_size ?? PHASE_DIAGRAM_DEFAULTS.font_size,
53
- special_point_radius: config.special_point_radius ?? PHASE_DIAGRAM_DEFAULTS.special_point_radius,
54
- tie_line: { ...PHASE_DIAGRAM_DEFAULTS.tie_line, ...config.tie_line },
55
- colors: { ...PHASE_DIAGRAM_DEFAULTS.colors, ...config.colors },
56
- };
57
- }
58
- // Phase colors as hex - single source of truth
59
- // Extended palette supports 3+ phase regions (Greek letters α through λ)
60
- export const PHASE_COLOR_HEX = {
61
- liquid: `#87cefc`, // light sky blue
62
- alpha: `#90ee90`, // light green
63
- beta: `#ffb6c1`, // light pink
64
- gamma: `#ffdab9`, // peach puff
65
- delta: `#dda0dd`, // plum
66
- epsilon: `#f0e68c`, // khaki
67
- zeta: `#fa8072`, // salmon (distinct from liquid's light blue)
68
- eta: `#e6e6fa`, // lavender (distinct from alpha's light green)
69
- theta: `#f5deb3`, // wheat
70
- iota: `#20b2aa`, // light sea green
71
- kappa: `#deb887`, // burlywood
72
- lambda: `#bc8f8f`, // rosy brown
73
- two_phase: `#c8c8c8`,
74
- default: `#b4b4b4`,
75
- tie_line: `#ff6b6b`,
76
- };
77
- // Derive RGB string format (e.g. "135, 206, 250") for custom alpha usage
78
- export const PHASE_COLOR_RGB = Object.freeze(Object.fromEntries(Object.entries(PHASE_COLOR_HEX).map(([key, hex]) => {
79
- const r = parseInt(hex.slice(1, 3), 16);
80
- const g = parseInt(hex.slice(3, 5), 16);
81
- const b = parseInt(hex.slice(5, 7), 16);
82
- return [key, `${r}, ${g}, ${b}`];
83
- })));
84
- // Derive rgba() format with default alpha using add_alpha
85
- const PHASE_ALPHA = { two_phase: 0.5, default: 0.5, tie_line: 1 };
86
- export const PHASE_COLORS = Object.freeze(Object.fromEntries(Object.entries(PHASE_COLOR_HEX).map(([key, hex]) => [
87
- key,
88
- add_alpha(hex, key in PHASE_ALPHA ? PHASE_ALPHA[key] : 0.6),
89
- ])));
90
- // Phase pattern matching rules: [substrings to match, color key, optional prefix check]
91
- // Order matters: theta before eta (since "theta" contains "eta" as substring)
92
- const PHASE_PATTERNS = [
93
- [[`liquid`], `liquid`],
94
- [[`α`, `alpha`], `alpha`, `fcc`],
95
- [[`β`, `beta`], `beta`, `bcc`],
96
- [[`γ`, `gamma`], `gamma`, `hcp`],
97
- [[`δ`, `delta`], `delta`],
98
- [[`ε`, `epsilon`], `epsilon`],
99
- [[`ζ`, `zeta`], `zeta`],
100
- [[`θ`, `theta`], `theta`], // must come before eta
101
- [[`η`, `eta`], `eta`],
102
- [[`ι`, `iota`], `iota`],
103
- [[`κ`, `kappa`], `kappa`],
104
- [[`λ`, `lambda`], `lambda`],
105
- ];
106
- // Get color key for a single phase name (supports Greek letters and common phase notation)
107
- export function get_phase_color_key(name) {
108
- const lower = name.toLowerCase().trim();
109
- if (lower === `l`)
110
- return `liquid`; // exact match for shorthand "L"
111
- for (const [patterns, key, prefix] of PHASE_PATTERNS) {
112
- if (patterns.some((p) => lower.includes(p)))
113
- return key;
114
- if (prefix && lower.startsWith(prefix))
115
- return key;
116
- }
117
- return `default`;
118
- }
119
- // Get phase color - returns rgba() by default, or RGB string if format='rgb'
120
- export function get_phase_color(name, format = `rgba`) {
121
- const lower = name.toLowerCase().trim();
122
- const key = lower.includes(`+`) ? `two_phase` : get_phase_color_key(name);
123
- return format === `rgb` ? PHASE_COLOR_RGB[key] : PHASE_COLORS[key];
124
- }
125
- // Get gradient colors for multi-phase regions (2+ phases separated by '+')
126
- // Returns array of evenly-spaced gradient stops, or null for single-phase regions
127
- export function get_multi_phase_gradient(name) {
128
- if (!name.includes(`+`))
129
- return null;
130
- const phases = name
131
- .split(`+`)
132
- .map((s) => s.trim())
133
- .filter(Boolean);
134
- if (phases.length < 2)
135
- return null;
136
- // Create evenly spaced gradient stops (phases.length >= 2 guaranteed by early return)
137
- return phases.map((phase, idx) => ({
138
- offset: idx / (phases.length - 1),
139
- color: PHASE_COLOR_HEX[get_phase_color_key(phase)],
140
- }));
141
- }
142
- // Find which phase region contains the given composition and temperature
143
- export function find_phase_at_point(composition, temperature, data) {
144
- // Search regions in reverse order so later-defined regions take precedence
145
- for (let idx = data.regions.length - 1; idx >= 0; idx--) {
146
- const region = data.regions[idx];
147
- if (point_in_polygon(composition, temperature, region.vertices)) {
148
- return region;
149
- }
150
- }
151
- return null;
152
- }
153
- // SVG path generator using d3-shape
154
- const path_line = line()
155
- .x((d) => d[0])
156
- .y((d) => d[1]);
157
- // Generate closed SVG path for polygon regions (min 3 points)
158
- export const generate_region_path = (vertices) => vertices.length < 3 ? `` : `${path_line(vertices)} Z`;
159
- // Generate open SVG path for boundary curves (min 2 points)
160
- export const generate_boundary_path = (points) => points.length < 2 ? `` : (path_line(points) ?? ``);
161
- // Compute label properties (rotation, wrapping, scale) to fit within region bounds
162
- export function compute_label_properties(label, bounds, font_size) {
163
- if (bounds.width <= 0 || bounds.height <= 0 || !label || font_size <= 0) {
164
- return { rotation: 0, lines: label ? [label] : [], scale: 1 };
165
- }
166
- // Handle whitespace-only labels that pass truthy check but have zero rendered width
167
- if (label.trim().length === 0)
168
- return { rotation: 0, lines: [], scale: 1 };
169
- const char_width = font_size * 0.6; // approximate character width
170
- const line_height = font_size * 1.2;
171
- const padding = 0.8; // 20% margin
172
- const label_width = label.length * char_width;
173
- const avail_w = bounds.width * padding;
174
- const avail_h = bounds.height * padding;
175
- // Try horizontal fit
176
- if (label_width <= avail_w && line_height <= avail_h) {
177
- return { rotation: 0, lines: [label], scale: 1 };
178
- }
179
- // Try vertical for tall narrow regions
180
- const is_tall = bounds.width < bounds.height;
181
- if (is_tall && label_width <= avail_h && line_height <= avail_w) {
182
- return { rotation: -90, lines: [label], scale: 1 };
183
- }
184
- // Try wrapping multi-word labels
185
- if (/[\s_-]/.test(label)) {
186
- const chars_per_line = Math.max(3, Math.floor(avail_w / char_width));
187
- const lines = wrap_text(label, chars_per_line);
188
- const wrapped_w = Math.max(...lines.map((ln) => ln.length)) * char_width;
189
- const wrapped_h = lines.length * line_height;
190
- if (wrapped_w <= avail_w && wrapped_h <= avail_h) {
191
- return { rotation: 0, lines, scale: 1 };
192
- }
193
- if (is_tall && wrapped_w <= avail_h && wrapped_h <= avail_w) {
194
- return { rotation: -90, lines, scale: 1 };
195
- }
196
- }
197
- // Scale down as last resort (min 70%)
198
- const scale = Math.max(0.7, Math.min(avail_w / label_width, avail_h / line_height, 1));
199
- const rotation = is_tall ? -90 : 0;
200
- return { rotation, lines: [label], scale };
201
- }
202
- // Wrap text into multiple lines at delimiter boundaries
203
- function wrap_text(text, max_chars) {
204
- const words = text.split(/[_\s-]+/).filter((word) => word.length > 0);
205
- if (words.length === 0)
206
- return [text];
207
- const lines = [];
208
- let current_line = ``;
209
- for (const word of words) {
210
- const candidate = current_line ? `${current_line} ${word}` : word;
211
- if (candidate.length <= max_chars) {
212
- current_line = candidate;
213
- }
214
- else {
215
- if (current_line)
216
- lines.push(current_line);
217
- current_line = word;
218
- }
219
- }
220
- if (current_line)
221
- lines.push(current_line);
222
- return lines;
223
- }
224
- // Transform data coordinates to SVG coordinates using scale functions
225
- export function transform_vertices(vertices, x_scale, y_scale) {
226
- return vertices.map(([comp, temp]) => [x_scale(comp), y_scale(temp)]);
227
- }
228
- // Format composition value for display
229
- export function format_composition(value, unit = `at%`, include_unit = true) {
230
- if (unit === `fraction`)
231
- return format_num(value, `.3~f`);
232
- const formatted = format_num(value * 100, `.3~`);
233
- return include_unit ? `${formatted} ${unit}` : formatted;
234
- }
235
- // Format temperature value for display
236
- export function format_temperature(value, unit = `K`) {
237
- return `${format_num(value, `.0f`)} ${unit}`;
238
- }
239
- // Parse a two-phase region name into its two phase names
240
- // Returns null if the region is not exactly a two-phase region
241
- function parse_two_phases(name) {
242
- if (!name.includes(`+`))
243
- return null;
244
- const parts = name
245
- .trim()
246
- .split(/\s*\+\s*/)
247
- .filter(Boolean);
248
- return parts.length === 2 ? [parts[0], parts[1]] : null;
249
- }
250
- // Find polygon edge intersections along a scan line (horizontal or vertical)
251
- // For horizontal: fixed_val = temperature, returns x-intersections
252
- // For vertical: fixed_val = composition, returns y-intersections
253
- function find_polygon_intersections(vertices, fixed_val, axis) {
254
- const other = axis === 0 ? 1 : 0;
255
- const intersections = [];
256
- for (let idx = 0; idx < vertices.length; idx++) {
257
- const v1 = vertices[idx];
258
- const v2 = vertices[(idx + 1) % vertices.length];
259
- if ((v1[axis] <= fixed_val && v2[axis] > fixed_val) ||
260
- (v2[axis] <= fixed_val && v1[axis] > fixed_val)) {
261
- intersections.push(v1[other] + ((fixed_val - v1[axis]) / (v2[axis] - v1[axis])) * (v2[other] - v1[other]));
262
- }
263
- }
264
- return intersections.toSorted((a, b) => a - b);
265
- }
266
- function pick_bracketing_intersection_pair(intersections, position) {
267
- if (intersections.length < 2)
268
- return null;
269
- const unique_intersections = [];
270
- const dedup_tol = 1e-9;
271
- for (const value of intersections) {
272
- const prev_value = unique_intersections.at(-1);
273
- if (prev_value === undefined || Math.abs(value - prev_value) > dedup_tol) {
274
- unique_intersections.push(value);
275
- }
276
- }
277
- if (unique_intersections.length < 2)
278
- return null;
279
- const bound_tol = 1e-10;
280
- for (let pair_idx = 0; pair_idx + 1 < unique_intersections.length; pair_idx += 2) {
281
- const low_bound = unique_intersections[pair_idx];
282
- const high_bound = unique_intersections[pair_idx + 1];
283
- if (position >= low_bound - bound_tol && position <= high_bound + bound_tol) {
284
- return [low_bound, high_bound];
285
- }
286
- }
287
- // Fallback for numerical edge cases where even-odd pairing fails:
288
- // pick nearest enclosing neighbors around the hovered point.
289
- let left_idx = -1;
290
- for (let idx = 0; idx < unique_intersections.length; idx++) {
291
- if (unique_intersections[idx] <= position + bound_tol)
292
- left_idx = idx;
293
- }
294
- if (left_idx < 0 || left_idx + 1 >= unique_intersections.length)
295
- return null;
296
- const left_bound = unique_intersections[left_idx];
297
- const right_bound = unique_intersections[left_idx + 1];
298
- return right_bound - left_bound > bound_tol ? [left_bound, right_bound] : null;
299
- }
300
- // Shared core for lever rule calculations (horizontal and vertical)
301
- // Parses phases, finds intersections along the scan axis, validates bounds,
302
- // and computes the fractional position within the two-phase region.
303
- function lever_rule_core(region, position, scan_val, axis) {
304
- const phases = parse_two_phases(region.name);
305
- if (!phases)
306
- return null;
307
- const intersections = find_polygon_intersections(region.vertices, scan_val, axis);
308
- const bounds = pick_bracketing_intersection_pair(intersections, position);
309
- if (!bounds)
310
- return null;
311
- const [lo, hi] = bounds;
312
- const span = hi - lo;
313
- if (span < 1e-10)
314
- return null;
315
- return { phases, lo, hi, fraction_hi: (position - lo) / span };
316
- }
317
- // Calculate lever rule for a point in a two-phase region
318
- // Returns null if the region is not exactly a two-phase region or calculation fails
319
- // Note: Lever rule is thermodynamically defined only for two-phase equilibria
320
- export function calculate_lever_rule(region, composition, temperature) {
321
- // Horizontal scan: fixed temperature, find composition intersections
322
- const core = lever_rule_core(region, composition, temperature, 1);
323
- if (!core)
324
- return null;
325
- return {
326
- left_phase: core.phases[0],
327
- right_phase: core.phases[1],
328
- left_composition: core.lo,
329
- right_composition: core.hi,
330
- fraction_left: 1 - core.fraction_hi,
331
- fraction_right: core.fraction_hi,
332
- };
333
- }
334
- // Calculate vertical lever rule for a point in a two-phase region
335
- // Uses constant composition (vertical line) to find temperature boundaries
336
- export function calculate_vertical_lever_rule(region, composition, temperature) {
337
- // Vertical scan: fixed composition, find temperature intersections
338
- const core = lever_rule_core(region, temperature, composition, 0);
339
- if (!core)
340
- return null;
341
- return {
342
- bottom_phase: core.phases[0],
343
- top_phase: core.phases[1],
344
- bottom_temperature: core.lo,
345
- top_temperature: core.hi,
346
- fraction_bottom: 1 - core.fraction_hi,
347
- fraction_top: core.fraction_hi,
348
- };
349
- }
350
- // Format hover info as copyable text for clipboard
351
- // Only includes lever rule data for the active mode to match tooltip display
352
- export function format_hover_info_text(info, temp_unit = `K`, comp_unit = `at%`, component_a = `A`, component_b = `B`, data_temp_unit = temp_unit, lever_rule_mode = `horizontal`) {
353
- // Convert temperature from data unit to display unit
354
- const to_display = (temp) => convert_temp(temp, data_temp_unit, temp_unit);
355
- const lines = [
356
- `Phase: ${info.region.name}`,
357
- `Temperature: ${format_temperature(to_display(info.temperature), temp_unit)}`,
358
- `Composition: ${format_composition(info.composition, comp_unit)} ${component_b} (${format_composition(1 - info.composition, comp_unit)} ${component_a})`,
359
- ];
360
- if (lever_rule_mode === `horizontal` && info.lever_rule) {
361
- const lr = info.lever_rule;
362
- lines.push(``, `Lever Rule:`, ` ${lr.left_phase}: ${format_num(lr.fraction_left * 100, `.1f`)}% (at ${format_composition(lr.left_composition, comp_unit)})`, ` ${lr.right_phase}: ${format_num(lr.fraction_right * 100, `.1f`)}% (at ${format_composition(lr.right_composition, comp_unit)})`);
363
- }
364
- if (lever_rule_mode === `vertical` && info.vertical_lever_rule) {
365
- const vlr = info.vertical_lever_rule;
366
- lines.push(``, `Vertical Lever Rule:`, ` ${vlr.bottom_phase}: ${format_num(vlr.fraction_bottom * 100, `.1f`)}% (at ${format_temperature(to_display(vlr.bottom_temperature), temp_unit)})`, ` ${vlr.top_phase}: ${format_num(vlr.fraction_top * 100, `.1f`)}% (at ${format_temperature(to_display(vlr.top_temperature), temp_unit)})`);
367
- }
368
- return lines.join(`\n`);
369
- }
370
- // Calculate temperature stability range for a phase at given composition
371
- export function get_phase_stability_range(region) {
372
- if (!region.vertices?.length)
373
- return null;
374
- let t_min = Infinity;
375
- let t_max = -Infinity;
376
- for (const [, temp] of region.vertices) {
377
- if (temp < t_min)
378
- t_min = temp;
379
- if (temp > t_max)
380
- t_max = temp;
381
- }
382
- return { t_min, t_max };
383
- }
384
- // Extract reference/citation from TDB comments
385
- export function extract_tdb_reference(comments) {
386
- const ref_keywords = [`reference`, `citation`, `database`, `assessed by`];
387
- for (const comment of comments) {
388
- const lower = comment.toLowerCase();
389
- if (ref_keywords.some((kw) => lower.includes(kw))) {
390
- const ref = comment.replace(/^\$\s*/, ``).trim();
391
- // Skip incomplete references (must have substantial content after keyword)
392
- if (ref.length > 30 && !ref.endsWith(`from`))
393
- return ref;
394
- }
395
- }
396
- return null;
397
- }
398
- // Summarize sublattice models from TDB phases
399
- export function summarize_models(phases) {
400
- const counts = new Map();
401
- for (const phase of phases) {
402
- counts.set(phase.sublattice_count, (counts.get(phase.sublattice_count) ?? 0) + 1);
403
- }
404
- return [...counts.entries()]
405
- .toSorted(([sl_a], [sl_b]) => sl_a - sl_b)
406
- .map(([sublattices, count]) => `${count}×${sublattices}-SL`)
407
- .join(`, `);
408
- }
409
- // Check if a component name is a compound (vs single element)
410
- // Returns true if name contains digits (e.g., "Fe3C", "SiO2") or multiple uppercase letters
411
- // that indicate multiple elements (e.g., "MgO", "CaO")
412
- // Single elements like "Fe", "Ca", "He" return false
413
- export function is_compound(name) {
414
- if (!name)
415
- return false;
416
- // Contains digits -> likely a compound (Fe3C, SiO2, Al2O3)
417
- if (/\d/.test(name))
418
- return true;
419
- // Single element pattern: one uppercase followed by optional lowercase (Fe, Ca, He, C)
420
- if (/^[A-Z][a-z]?$/.test(name))
421
- return false;
422
- return (name.match(/[A-Z]/g)?.length ?? 0) >= 2;
423
- }
424
- // Tokenize a chemical formula for rendering with subscripts/superscripts
425
- // Examples:
426
- // "Fe3C" -> [{text: "Fe"}, {sub: "3"}, {text: "C"}]
427
- // "SiO2" -> [{text: "Si"}, {text: "O"}, {sub: "2"}]
428
- // "Al2O3" -> [{text: "Al"}, {sub: "2"}, {text: "O"}, {sub: "3"}]
429
- // "Fe" -> [{text: "Fe"}]
430
- // "α-Fe" -> [{text: "α-Fe"}] (Greek phases pass through unchanged)
431
- export function tokenize_formula(formula) {
432
- if (!formula)
433
- return [];
434
- // If it contains Greek letters or special phase notation, return as-is
435
- if (/[α-ωΑ-Ω]/.test(formula) || formula.includes(`+`)) {
436
- return [{ text: formula }];
437
- }
438
- const tokens = [];
439
- let idx = 0;
440
- while (idx < formula.length) {
441
- const char = formula[idx];
442
- // Check for subscript digits (numbers following letters)
443
- if (/\d/.test(char)) {
444
- // Collect consecutive digits
445
- let num = ``;
446
- while (idx < formula.length && /\d/.test(formula[idx])) {
447
- num += formula[idx];
448
- idx++;
449
- }
450
- tokens.push({ sub: num });
451
- continue;
452
- }
453
- // Check for superscript (- charge notation, e.g., "O2-" or "Cl-2")
454
- // Note: + is handled by the early return for phase notation like "α + β"
455
- // Treat '-' as charge when: at end of string, OR followed by digit
456
- // Otherwise preserve as text for hyphenated names like "Fe-Fe3C"
457
- if (char === `-`) {
458
- idx++;
459
- if (idx >= formula.length || /\d/.test(formula[idx])) {
460
- // End of string or followed by digit - parse as charge superscript
461
- let charge = `-`;
462
- while (idx < formula.length && /\d/.test(formula[idx])) {
463
- charge += formula[idx];
464
- idx++;
465
- }
466
- tokens.push({ sup: charge });
467
- }
468
- else
469
- tokens.push({ text: `-` }); // Not at end and not followed by digit - preserve hyphen
470
- continue;
471
- }
472
- // Check for element symbol (uppercase followed by optional lowercase)
473
- if (/[A-Z]/.test(char)) {
474
- let element = char;
475
- idx++;
476
- // Collect following lowercase letters
477
- while (idx < formula.length && /[a-z]/.test(formula[idx])) {
478
- element += formula[idx];
479
- idx++;
480
- }
481
- tokens.push({ text: element });
482
- continue;
483
- }
484
- // Any other character (lowercase, hyphen, etc.) - collect as text
485
- let text = char;
486
- idx++;
487
- while (idx < formula.length && !/[A-Z\d-]/.test(formula[idx])) {
488
- text += formula[idx];
489
- idx++;
490
- }
491
- // Merge with previous text token if possible
492
- if (tokens.length > 0 && tokens[tokens.length - 1].text !== undefined) {
493
- tokens[tokens.length - 1].text += text;
494
- }
495
- else {
496
- tokens.push({ text });
497
- }
498
- }
499
- return tokens;
500
- }
501
- // Baseline shifts for sub/superscript (SVG dy values are cumulative across tspans)
502
- const DY = { sub: 0.25, sup: -0.4 };
503
- // Format chemical formula as SVG tspan elements with subscripts
504
- // Tracks cumulative baseline offset and adds trailing reset so concatenated text aligns
505
- export function format_formula_svg(formula, use_subscripts = true) {
506
- if (!use_subscripts || !is_compound(formula))
507
- return formula;
508
- let result = ``;
509
- let offset = 0;
510
- for (const token of tokenize_formula(formula)) {
511
- if (token.text !== undefined) {
512
- result += offset ? `<tspan dy="${-offset}em">${token.text}</tspan>` : token.text;
513
- offset = 0;
514
- }
515
- else {
516
- const dy = token.sub !== undefined ? DY.sub : DY.sup;
517
- result += `<tspan dy="${dy}em" font-size="0.75em">${token.sub ?? token.sup}</tspan>`;
518
- offset += dy;
519
- }
520
- }
521
- // Reset baseline after trailing subscript/superscript using a zero-width space
522
- // (empty tspans may not apply dy in all SVG renderers)
523
- if (offset)
524
- result += `<tspan dy="${-offset}em">\u200B</tspan>`;
525
- return result;
526
- }
527
- // Split a multi-phase label on " + " and format each part with the given formatter
528
- function format_label_parts(label, use_subscripts, formatter) {
529
- if (!use_subscripts)
530
- return label;
531
- return label
532
- .split(/(\s*\+\s*)/)
533
- .map((part) => {
534
- if (part.trim() === `+`)
535
- return part;
536
- return formatter(part.trim(), use_subscripts);
537
- })
538
- .join(``);
539
- }
540
- // Format a phase region label (e.g. "La2NiO4 + NiO") as SVG with subscripts
541
- export const format_label_svg = (label, use_subscripts = true) => format_label_parts(label, use_subscripts, format_formula_svg);
542
- // Format a phase region label as HTML with subscripts (splits on " + ")
543
- export const format_label_html = (label, use_subscripts = true) => format_label_parts(label, use_subscripts, format_formula_html);
544
- // Format chemical formula as HTML with <sub> and <sup> tags
545
- export function format_formula_html(formula, use_subscripts = true) {
546
- if (!use_subscripts || !is_compound(formula))
547
- return formula;
548
- return tokenize_formula(formula)
549
- .map((token) => token.text ?? (token.sub ? `<sub>${token.sub}</sub>` : `<sup>${token.sup}</sup>`))
550
- .join(``);
551
- }
552
- // Compute the x-axis domain for a binary phase diagram.
553
- // Uses explicit range if fully specified, otherwise derives from data extent
554
- // and auto-extends to 0/1 when edge regions contain pure components.
555
- export function compute_x_domain(x_range, data) {
556
- const lo = x_range?.[0];
557
- const hi = x_range?.[1];
558
- if (lo != null && hi != null)
559
- return [lo, hi];
560
- if (data) {
561
- let data_min = Infinity;
562
- let data_max = -Infinity;
563
- const update = (val) => {
564
- if (val < data_min)
565
- data_min = val;
566
- if (val > data_max)
567
- data_max = val;
568
- };
569
- for (const region of data.regions) {
570
- for (const vertex of region.vertices)
571
- update(vertex[0]);
572
- }
573
- for (const boundary of data.boundaries) {
574
- for (const point of boundary.points)
575
- update(point[0]);
576
- }
577
- for (const special_point of data.special_points ?? []) {
578
- update(special_point.position[0]);
579
- }
580
- if (data_min <= data_max) {
581
- let x_min = lo ?? data_min;
582
- let x_max = hi ?? data_max;
583
- // Auto-extend to 0/1 when edge regions contain a pure component AND the
584
- // data already nearly reaches the boundary
585
- const comp_at_edge = (comp, x_val) => {
586
- const re = new RegExp(`\\b${comp.replaceAll(/[.*+?^${}()|[\]\\]/g, `\\$&`)}\\b`);
587
- return data.regions.some((region) => re.test(region.name) &&
588
- region.vertices.some((vertex) => Math.abs(vertex[0] - x_val) < 1e-6));
589
- };
590
- if (lo == null &&
591
- x_min < 0.05 &&
592
- data.components[0] &&
593
- comp_at_edge(data.components[0], x_min)) {
594
- x_min = 0;
595
- }
596
- if (hi == null &&
597
- x_max > 0.95 &&
598
- data.components[1] &&
599
- comp_at_edge(data.components[1], x_max)) {
600
- x_max = 1;
601
- }
602
- return [x_min, x_max];
603
- }
604
- }
605
- return [lo ?? 0, hi ?? 1];
606
- }
@@ -1,51 +0,0 @@
1
- <script lang="ts">
2
- import { AXIS_LABEL_CONTAINER } from './axis-utils'
3
- import type { AxisOption } from './types'
4
- import InteractiveAxisLabel from './InteractiveAxisLabel.svelte'
5
-
6
- let {
7
- x,
8
- y,
9
- rotate = false,
10
- label = ``,
11
- options,
12
- selected_key,
13
- color,
14
- loading = false,
15
- axis_type,
16
- on_select,
17
- }: {
18
- x: number
19
- y: number
20
- rotate?: boolean
21
- label?: string
22
- options?: AxisOption[]
23
- selected_key?: string
24
- color?: string | null
25
- loading?: boolean
26
- axis_type: `x` | `x2` | `y` | `y2`
27
- on_select?: (key: string) => void
28
- } = $props()
29
- </script>
30
-
31
- <foreignObject
32
- x={x - AXIS_LABEL_CONTAINER.x_offset}
33
- y={y - AXIS_LABEL_CONTAINER.y_offset}
34
- width={AXIS_LABEL_CONTAINER.width}
35
- height={AXIS_LABEL_CONTAINER.height}
36
- style="overflow: visible; pointer-events: none"
37
- transform={rotate ? `rotate(-90, ${x}, ${y})` : undefined}
38
- >
39
- <div xmlns="http://www.w3.org/1999/xhtml" style="pointer-events: auto">
40
- <InteractiveAxisLabel
41
- {label}
42
- {options}
43
- {selected_key}
44
- {loading}
45
- {axis_type}
46
- {color}
47
- {on_select}
48
- class="axis-label {axis_type}-label"
49
- />
50
- </div>
51
- </foreignObject>
@@ -1,16 +0,0 @@
1
- import type { AxisOption } from './types';
2
- type $$ComponentProps = {
3
- x: number;
4
- y: number;
5
- rotate?: boolean;
6
- label?: string;
7
- options?: AxisOption[];
8
- selected_key?: string;
9
- color?: string | null;
10
- loading?: boolean;
11
- axis_type: `x` | `x2` | `y` | `y2`;
12
- on_select?: (key: string) => void;
13
- };
14
- declare const AxisLabel: import("svelte").Component<$$ComponentProps, {}, "">;
15
- type AxisLabel = ReturnType<typeof AxisLabel>;
16
- export default AxisLabel;