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
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  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
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  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
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  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
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  747. package/dist/src/lib/phase-diagram/colors.ts +0 -58
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  787. package/dist/src/lib/plot/binned-scatter-types.ts +0 -83
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@@ -1,1273 +0,0 @@
1
- <script lang="ts">
2
- import type { ColorSchemeName, D3InterpolateName } from '$lib/colors'
3
- import { AXIS_COLORS, ELEMENT_COLOR_SCHEMES } from '$lib/colors'
4
- import IsosurfaceControls from '$lib/isosurface/IsosurfaceControls.svelte'
5
- import type { IsosurfaceSettings, VolumetricData } from '$lib/isosurface/types'
6
- import { format_num } from '$lib/labels'
7
- import { SettingsSection } from '$lib/layout'
8
- import { to_degrees, to_radians } from '$lib/math'
9
- import DraggablePane from '$lib/overlays/DraggablePane.svelte'
10
- import { ColorScaleSelect } from '$lib/plot'
11
- import type { VectorLayerConfig } from '$lib/settings'
12
- import { DEFAULTS, SETTINGS_CONFIG, VECTOR_COLOR_MODES } from '$lib/settings'
13
- import type { AnyStructure } from '$lib/structure'
14
- import {
15
- default_vector_configs,
16
- get_structure_vector_keys,
17
- Lattice,
18
- StructureScene,
19
- VECTOR_PALETTE,
20
- } from '$lib/structure'
21
- import type { AtomColorConfig } from '$lib/structure/atom-properties'
22
- import { is_valid_supercell_input } from '$lib/structure/supercell'
23
- import type { CellType } from '$lib/symmetry'
24
- import type { MoyoDataset } from '@spglib/moyo-wasm'
25
- import type { ComponentProps } from 'svelte'
26
- import Select from 'svelte-multiselect'
27
- import { tooltip } from 'svelte-multiselect/attachments'
28
-
29
- let {
30
- controls_open = $bindable(false),
31
- scene_props = $bindable({}),
32
- lattice_props = $bindable({
33
- show_cell_vectors: DEFAULTS.structure.show_cell_vectors,
34
- cell_edge_color: DEFAULTS.structure.cell_edge_color,
35
- cell_edge_opacity: DEFAULTS.structure.cell_edge_opacity,
36
- cell_surface_color: DEFAULTS.structure.cell_surface_color,
37
- cell_surface_opacity: DEFAULTS.structure.cell_surface_opacity,
38
- cell_edge_width: DEFAULTS.structure.cell_edge_width,
39
- }),
40
- show_image_atoms = $bindable(DEFAULTS.structure.show_image_atoms),
41
- supercell_scaling = $bindable(`1x1x1`),
42
- background_color = $bindable(),
43
- background_opacity = $bindable(DEFAULTS.background_opacity),
44
- color_scheme = $bindable(DEFAULTS.color_scheme),
45
- atom_color_config = $bindable({
46
- mode: DEFAULTS.structure.atom_color_mode,
47
- scale: DEFAULTS.structure.atom_color_scale,
48
- scale_type: DEFAULTS.structure.atom_color_scale_type,
49
- }),
50
- structure = undefined,
51
- supercell_loading = $bindable(false),
52
- sym_data = null,
53
- cell_type = $bindable(`original`),
54
- volumetric_data = $bindable<VolumetricData[]>(),
55
- isosurface_settings = $bindable<IsosurfaceSettings>(),
56
- active_volume_idx = $bindable(0),
57
- pane_props = {},
58
- toggle_props = {},
59
- ...rest
60
- }: Omit<ComponentProps<typeof DraggablePane>, `children`> & {
61
- controls_open?: boolean // Control pane state
62
- scene_props?: ComponentProps<typeof StructureScene>
63
- lattice_props?: ComponentProps<typeof Lattice>
64
- show_image_atoms?: boolean
65
- supercell_scaling?: string
66
- background_color?: string
67
- background_opacity?: number
68
- color_scheme?: string
69
- atom_color_config?: Partial<AtomColorConfig>
70
- structure?: AnyStructure
71
- supercell_loading?: boolean
72
- sym_data?: MoyoDataset | null
73
- cell_type?: CellType // Cell type: original, conventional, or primitive
74
- volumetric_data?: VolumetricData[] // Volumetric data volumes for isosurface controls
75
- isosurface_settings?: IsosurfaceSettings // Isosurface rendering settings
76
- active_volume_idx?: number // Active volume index
77
- pane_props?: ComponentProps<typeof DraggablePane>[`pane_props`]
78
- toggle_props?: ComponentProps<typeof DraggablePane>[`toggle_props`]
79
- } = $props()
80
-
81
- // Color scheme selection state
82
- let color_scheme_selected = $state([color_scheme])
83
- $effect(() => {
84
- if (color_scheme_selected.length > 0) {
85
- color_scheme = color_scheme_selected[0] as string
86
- }
87
- })
88
-
89
- // Atom color config selection state
90
- let color_scale_selected = $state<D3InterpolateName[]>([
91
- atom_color_config.scale || DEFAULTS.structure.atom_color_scale,
92
- ])
93
-
94
- // Sync local selection to config
95
- $effect(() => {
96
- if (
97
- color_scale_selected[0] && color_scale_selected[0] !== atom_color_config.scale
98
- ) atom_color_config.scale = color_scale_selected[0]
99
- })
100
- // Sync config to local selection (for external updates)
101
- $effect(() => {
102
- if (
103
- atom_color_config.scale && atom_color_config.scale !== color_scale_selected[0]
104
- ) color_scale_selected = [atom_color_config.scale]
105
- })
106
- // Auto-set scale_type based on mode
107
- $effect(() => {
108
- if (atom_color_config.mode === `wyckoff`) {
109
- atom_color_config.scale_type = `categorical`
110
- } else if (atom_color_config.mode === `coordination`) {
111
- atom_color_config.scale_type = `continuous`
112
- }
113
- })
114
-
115
- const hex_color_pattern = /^#[0-9a-f]{3}([0-9a-f]{3})?$/i
116
- const color_mix_pattern =
117
- /^color-mix\(in srgb,\s*(#[0-9a-f]{3}(?:[0-9a-f]{3})?)\s+(\d+(?:\.\d+)?)%,\s*transparent\)$/i
118
-
119
- const as_hex_color = (color: string | undefined, fallback: string): string =>
120
- color?.match(hex_color_pattern)?.[0] ?? fallback
121
-
122
- const parse_label_bg_color = (
123
- color: string | undefined,
124
- fallback_hex_color: string,
125
- fallback_opacity: number,
126
- ): { hex_color: string; opacity: number } => {
127
- if (color === `transparent`) {
128
- return { hex_color: fallback_hex_color, opacity: 0 }
129
- }
130
- const color_mix = color?.match(color_mix_pattern)
131
- if (color_mix) {
132
- const percentage = Math.max(0, Math.min(100, Number(color_mix[2])))
133
- return {
134
- hex_color: color_mix[1],
135
- opacity: percentage / 100,
136
- }
137
- }
138
- const hex_color = color?.match(hex_color_pattern)?.[0]
139
- return hex_color === undefined
140
- ? { hex_color: fallback_hex_color, opacity: fallback_opacity }
141
- : { hex_color, opacity: 1 }
142
- }
143
-
144
- const default_site_label_color = as_hex_color(
145
- DEFAULTS.structure.site_label_color,
146
- `#111111`,
147
- )
148
- const default_site_label_bg = parse_label_bg_color(
149
- DEFAULTS.structure.site_label_bg_color,
150
- `#000000`,
151
- 0,
152
- )
153
- const initial_site_label_bg = parse_label_bg_color(
154
- scene_props.site_label_bg_color,
155
- default_site_label_bg.hex_color,
156
- default_site_label_bg.opacity,
157
- )
158
-
159
- // Atom label color management
160
- let site_label_hex_color = $state(
161
- as_hex_color(scene_props.site_label_color, default_site_label_color),
162
- )
163
- let site_label_bg_hex_color = $state(initial_site_label_bg.hex_color)
164
- let site_label_background_opacity = $state(initial_site_label_bg.opacity)
165
- let last_synced_site_label_color = scene_props.site_label_color
166
- let last_synced_site_label_bg_color = scene_props.site_label_bg_color
167
-
168
- $effect(() => {
169
- const external_color_changed =
170
- scene_props.site_label_color !== last_synced_site_label_color
171
- const external_bg_changed =
172
- scene_props.site_label_bg_color !== last_synced_site_label_bg_color
173
-
174
- if (external_color_changed) {
175
- site_label_hex_color = as_hex_color(
176
- scene_props.site_label_color,
177
- default_site_label_color,
178
- )
179
- }
180
- if (external_bg_changed) {
181
- const next_bg = parse_label_bg_color(
182
- scene_props.site_label_bg_color,
183
- default_site_label_bg.hex_color,
184
- default_site_label_bg.opacity,
185
- )
186
- site_label_bg_hex_color = next_bg.hex_color
187
- site_label_background_opacity = next_bg.opacity
188
- }
189
-
190
- if (!external_color_changed) scene_props.site_label_color = site_label_hex_color
191
- if (!external_bg_changed) {
192
- scene_props.site_label_bg_color =
193
- `color-mix(in srgb, ${site_label_bg_hex_color} ${
194
- format_num(site_label_background_opacity, `.1~%`)
195
- }, transparent)`
196
- }
197
-
198
- last_synced_site_label_color = scene_props.site_label_color
199
- last_synced_site_label_bg_color = scene_props.site_label_bg_color
200
- })
201
-
202
- // Ensure site_label_offset is always available
203
- scene_props.site_label_offset ??= [...DEFAULTS.structure.site_label_offset]
204
-
205
- // Collect available vector property keys from the structure
206
- let available_vector_keys = $derived(
207
- structure ? get_structure_vector_keys(structure) : [],
208
- )
209
- const is_key_visible = (key: string): boolean =>
210
- scene_props.vector_configs?.[key]?.visible !== false
211
-
212
- let any_vectors_visible = $derived(available_vector_keys.some(is_key_visible))
213
-
214
- function update_vector_config(key: string, patch: Partial<VectorLayerConfig>) {
215
- const configs = { ...scene_props.vector_configs }
216
- configs[key] = {
217
- ...(configs[key] ?? { visible: true, color: null, scale: null }),
218
- ...patch,
219
- }
220
- scene_props.vector_configs = configs
221
- }
222
-
223
- // Detect if structure has lattice (can create supercells)
224
- let has_lattice = $derived(
225
- structure && `lattice` in structure && structure.lattice !== undefined,
226
- )
227
-
228
- // Validate supercell input
229
- let supercell_input_valid = $derived(is_valid_supercell_input(supercell_scaling))
230
-
231
- // Ensure rotation is always an array
232
- $effect(() => {
233
- scene_props.rotation ??= [...DEFAULTS.structure.rotation]
234
- })
235
-
236
- let rotation_degrees = $derived(
237
- scene_props.rotation?.map((rad) => {
238
- const deg = to_degrees(rad)
239
- // Convert to [0, 360] range for UI display
240
- return ((deg % 360) + 360) % 360
241
- }) ?? [0, 0, 0],
242
- )
243
-
244
- function update_rotation(axis: `x` | `y` | `z`, degrees: number) {
245
- scene_props.rotation ??= [0, 0, 0]
246
- const axis_index = { x: 0, y: 1, z: 2 }[axis]
247
- const clamped = Math.max(0, Math.min(360, degrees))
248
- const norm = ((clamped % 360) + 360) % 360
249
- scene_props.rotation[axis_index] = to_radians(norm)
250
- // Trigger reactivity by creating new array
251
- scene_props.rotation = [...scene_props.rotation]
252
- }
253
-
254
- // Helper function to get example set of colors from an element color scheme
255
- function get_representative_colors(scheme_name: string): string[] {
256
- const scheme = ELEMENT_COLOR_SCHEMES[scheme_name as ColorSchemeName]
257
- if (!scheme) return []
258
-
259
- // Get colors for common elements: H, C, N, O, Fe, Ca, Si, Al
260
- const sample_elements = [`H`, `C`, `N`, `O`, `Fe`, `Ca`, `Si`, `Al`]
261
- return sample_elements
262
- .slice(0, 4) // Take first 4
263
- .map((el) => scheme[el] || scheme.H || `#cccccc`)
264
- .filter(Boolean)
265
- }
266
- </script>
267
-
268
- <DraggablePane
269
- bind:show={controls_open}
270
- resizable="both"
271
- pane_props={{
272
- ...pane_props,
273
- class: `controls-pane ${pane_props?.class ?? ``}`,
274
- style: `--pane-max-height: 70vh; ${pane_props?.style ?? ``}`,
275
- }}
276
- toggle_props={{
277
- title: controls_open ? `` : `Structure controls`,
278
- ...toggle_props,
279
- class: `structure-controls-toggle ${toggle_props?.class ?? ``}`,
280
- }}
281
- {...rest}
282
- >
283
- {#if volumetric_data?.length && isosurface_settings}
284
- <IsosurfaceControls
285
- bind:settings={isosurface_settings}
286
- volumes={volumetric_data}
287
- bind:active_volume_idx
288
- />
289
- {/if}
290
-
291
- <SettingsSection
292
- title="Visibility"
293
- current_values={{
294
- show_atoms: scene_props.show_atoms,
295
- show_bonds: scene_props.show_bonds,
296
- show_image_atoms,
297
- show_site_labels: scene_props.show_site_labels,
298
- show_site_indices: scene_props.show_site_indices,
299
- vector_configs: scene_props.vector_configs,
300
- show_cell_vectors: lattice_props.show_cell_vectors,
301
- }}
302
- on_reset={() => {
303
- scene_props.show_atoms = DEFAULTS.structure.show_atoms
304
- scene_props.show_bonds = DEFAULTS.structure.show_bonds
305
- scene_props.show_site_labels = DEFAULTS.structure.show_site_labels
306
- scene_props.show_site_indices = DEFAULTS.structure.show_site_indices
307
- scene_props.vector_configs = default_vector_configs(available_vector_keys)
308
- show_image_atoms = DEFAULTS.structure.show_image_atoms
309
- lattice_props.show_cell_vectors = DEFAULTS.structure.show_cell_vectors
310
- }}
311
- style="display: flex; flex-direction: row; flex-wrap: wrap; gap: 12pt"
312
- >
313
- Show <label
314
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.show_atoms.description })}
315
- style="gap: 6pt"
316
- >
317
- <input type="checkbox" bind:checked={scene_props.show_atoms} />
318
- Atoms
319
- </label>
320
- <label
321
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.show_image_atoms.description })}
322
- style="gap: 6pt"
323
- >
324
- <input type="checkbox" bind:checked={show_image_atoms} />
325
- Image Atoms
326
- </label>
327
- <label
328
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.show_site_labels.description })}
329
- style="gap: 6pt"
330
- >
331
- <input type="checkbox" bind:checked={scene_props.show_site_labels} />
332
- Site Labels
333
- </label>
334
- <label
335
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.show_site_indices.description })}
336
- style="gap: 6pt"
337
- >
338
- <input type="checkbox" bind:checked={scene_props.show_site_indices} />
339
- Site Indices
340
- </label>
341
- {#if available_vector_keys.length > 0}
342
- {#each available_vector_keys as key, idx (key)}
343
- <label
344
- {@attach tooltip({
345
- content: `Toggle ${key} vectors`,
346
- })}
347
- style="gap: 4pt"
348
- >
349
- <input
350
- type="checkbox"
351
- checked={is_key_visible(key)}
352
- onchange={() => update_vector_config(key, { visible: !is_key_visible(key) })}
353
- />
354
- <input
355
- type="color"
356
- aria-label={`${key} vector color`}
357
- value={scene_props.vector_configs?.[key]?.color ??
358
- VECTOR_PALETTE[idx % VECTOR_PALETTE.length]}
359
- onchange={(evt) =>
360
- update_vector_config(key, {
361
- color: evt.currentTarget.value,
362
- })}
363
- style="width: 22px; height: 22px; padding: 0; border: none; cursor: pointer"
364
- />
365
- {key}
366
- {#if scene_props.vector_configs?.[key]?.color != null}
367
- <button
368
- type="button"
369
- aria-label={`Reset ${key} color to default`}
370
- onclick={() => update_vector_config(key, { color: null })}
371
- style="padding: 0 3pt; font-size: 0.8em; line-height: 1; cursor: pointer"
372
- >
373
- ×
374
- </button>
375
- {/if}
376
- </label>
377
- {/each}
378
- {/if}
379
- <label style="gap: 6pt">
380
- <input type="checkbox" bind:checked={lattice_props.show_cell_vectors} />
381
- Lattice Vectors
382
- </label>
383
- <label
384
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.show_bonds.description })}
385
- style="gap: 6pt"
386
- >
387
- Bonds:
388
- <select bind:value={scene_props.show_bonds}>
389
- {#each Object.entries(SETTINGS_CONFIG.structure.show_bonds.enum ?? {}) as
390
- [value, label]
391
- (value)
392
- }
393
- <option {value}>{label}</option>
394
- {/each}
395
- </select>
396
- </label>
397
- </SettingsSection>
398
-
399
- <SettingsSection
400
- title="Camera"
401
- current_values={{
402
- camera_projection: scene_props.camera_projection,
403
- auto_rotate: scene_props.auto_rotate,
404
- rotate_speed: scene_props.rotate_speed,
405
- zoom_speed: scene_props.zoom_speed,
406
- pan_speed: scene_props.pan_speed,
407
- zoom_to_cursor: scene_props.zoom_to_cursor,
408
- rotation_damping: scene_props.rotation_damping,
409
- rotation: scene_props.rotation,
410
- }}
411
- on_reset={() => {
412
- scene_props.camera_projection = DEFAULTS.structure.camera_projection
413
- scene_props.auto_rotate = DEFAULTS.structure.auto_rotate
414
- scene_props.rotate_speed = DEFAULTS.structure.rotate_speed
415
- scene_props.zoom_speed = DEFAULTS.structure.zoom_speed
416
- scene_props.pan_speed = DEFAULTS.structure.pan_speed
417
- scene_props.zoom_to_cursor = DEFAULTS.structure.zoom_to_cursor
418
- scene_props.rotation_damping = DEFAULTS.structure.rotation_damping
419
- scene_props.rotation = [...DEFAULTS.structure.rotation]
420
- }}
421
- >
422
- <label>
423
- <span
424
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.camera_projection.description })}
425
- >
426
- Projection
427
- </span>
428
- <select bind:value={scene_props.camera_projection}>
429
- {#each Object.entries(
430
- SETTINGS_CONFIG.structure.camera_projection.enum ?? {},
431
- ) as
432
- [value, label]
433
- (value)
434
- }
435
- <option {value}>{label}</option>
436
- {/each}
437
- </select>
438
- </label>
439
- <label
440
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.auto_rotate.description })}
441
- >
442
- Auto-rotate speed
443
- <input
444
- type="number"
445
- min={0}
446
- max={2}
447
- step={0.01}
448
- bind:value={scene_props.auto_rotate}
449
- />
450
- <input
451
- type="range"
452
- min={0}
453
- max={2}
454
- step={0.01}
455
- bind:value={scene_props.auto_rotate}
456
- />
457
- </label>
458
- <label
459
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.rotate_speed.description })}
460
- >
461
- Rotate speed
462
- <input
463
- type="number"
464
- min={0}
465
- max={2}
466
- step={0.05}
467
- bind:value={scene_props.rotate_speed}
468
- />
469
- <input
470
- type="range"
471
- min={0}
472
- max={2}
473
- step={0.05}
474
- bind:value={scene_props.rotate_speed}
475
- />
476
- </label>
477
- <label
478
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.zoom_speed.description })}
479
- >
480
- Zoom speed
481
- <input
482
- type="number"
483
- min={0.1}
484
- max={0.8}
485
- step={0.02}
486
- bind:value={scene_props.zoom_speed}
487
- />
488
- <input
489
- type="range"
490
- min={0.1}
491
- max={0.8}
492
- step={0.02}
493
- bind:value={scene_props.zoom_speed}
494
- />
495
- </label>
496
- <label
497
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.pan_speed.description })}
498
- >
499
- Pan speed
500
- <input
501
- type="number"
502
- min={0}
503
- max={2}
504
- step={0.01}
505
- bind:value={scene_props.pan_speed}
506
- />
507
- <input
508
- type="range"
509
- min={0}
510
- max={2}
511
- step={0.01}
512
- bind:value={scene_props.pan_speed}
513
- />
514
- </label>
515
- <label
516
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.zoom_to_cursor.description })}
517
- >
518
- <input type="checkbox" bind:checked={scene_props.zoom_to_cursor} />
519
- <span>Zoom to cursor</span>
520
- </label>
521
- <label
522
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.rotation_damping.description })}
523
- >
524
- Rotation damping
525
- <input
526
- type="number"
527
- min={0.01}
528
- max={0.3}
529
- step={0.01}
530
- bind:value={scene_props.rotation_damping}
531
- />
532
- <input
533
- type="range"
534
- min={0.01}
535
- max={0.3}
536
- step={0.01}
537
- bind:value={scene_props.rotation_damping}
538
- />
539
- </label>
540
-
541
- Axis Rotation
542
- <div class="rotation-axes">
543
- {#each AXIS_COLORS as [axis, color], idx (axis)}
544
- <div>
545
- <div
546
- {@attach tooltip()}
547
- title="{axis}-axis rotation in degrees"
548
- style:color
549
- >
550
- <span>{axis.toUpperCase()} = </span>
551
- <input
552
- type="number"
553
- min={0}
554
- max={360}
555
- step={1}
556
- value={rotation_degrees[idx].toFixed(0)}
557
- oninput={(event) =>
558
- update_rotation(axis, Number(event.currentTarget.value))}
559
- style:color
560
- style="margin: 0"
561
- />
562
- °
563
- </div>
564
- <input
565
- type="range"
566
- min={0}
567
- max={360}
568
- step={1}
569
- value={rotation_degrees[idx].toFixed(0)}
570
- oninput={(event) => update_rotation(axis, Number(event.currentTarget.value))}
571
- style:--thumb-color={color}
572
- style="width: 100%"
573
- />
574
- </div>
575
- {/each}
576
- </div>
577
- </SettingsSection>
578
-
579
- <SettingsSection
580
- title="Atoms"
581
- current_values={{
582
- atom_radius: scene_props.atom_radius,
583
- same_size_atoms: scene_props.same_size_atoms,
584
- color_scheme,
585
- ...atom_color_config,
586
- }}
587
- on_reset={() => {
588
- scene_props.atom_radius = DEFAULTS.structure.atom_radius
589
- scene_props.same_size_atoms = DEFAULTS.structure.same_size_atoms
590
- color_scheme = DEFAULTS.color_scheme
591
- color_scheme_selected = [DEFAULTS.color_scheme]
592
- atom_color_config.mode = DEFAULTS.structure.atom_color_mode
593
- atom_color_config.scale = DEFAULTS.structure.atom_color_scale
594
- atom_color_config.scale_type = DEFAULTS.structure.atom_color_scale_type
595
- color_scale_selected = [DEFAULTS.structure.atom_color_scale]
596
- }}
597
- >
598
- <label
599
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.atom_radius.description })}
600
- >
601
- Radius <small>(Å)</small>
602
- <input
603
- type="number"
604
- min={0.2}
605
- max={2}
606
- step={0.05}
607
- bind:value={scene_props.atom_radius}
608
- />
609
- <input
610
- type="range"
611
- min={0.2}
612
- max={2}
613
- step={0.05}
614
- bind:value={scene_props.atom_radius}
615
- />
616
- </label>
617
- <label
618
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.same_size_atoms.description })}
619
- >
620
- Same size atoms
621
- <input type="checkbox" bind:checked={scene_props.same_size_atoms} />
622
- </label>
623
- <label
624
- {@attach tooltip({ content: SETTINGS_CONFIG.color_scheme.description })}
625
- >
626
- Color scheme
627
- <Select
628
- options={Object.keys(ELEMENT_COLOR_SCHEMES)}
629
- maxSelect={1}
630
- minSelect={1}
631
- bind:selected={color_scheme_selected}
632
- liOptionStyle="padding: 3pt 6pt;"
633
- liSelectedStyle="background-color: transparent;"
634
- ulSelectedStyle="display: contents;"
635
- inputStyle="flex: none; min-width: 0; width: 0; opacity: 0;"
636
- style="flex: 1; min-width: 0; border: none; margin-left: 4pt"
637
- aria-label="Color scheme"
638
- >
639
- {#snippet children({ option })}
640
- {@const option_style =
641
- `display: flex; align-items: center; gap: 6pt; justify-content: space-between;`}
642
- <div style={option_style}>
643
- {option}
644
- <div style="display: flex; gap: 3pt">
645
- {#each get_representative_colors(String(option)) as color (color)}
646
- {@const color_style =
647
- `width: 15px; height: 15px; border-radius: 2px; background: ${color};`}
648
- <div style={color_style}></div>
649
- {/each}
650
- </div>
651
- </div>
652
- {/snippet}
653
- </Select>
654
- </label>
655
- <label
656
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.atom_color_mode.description })}
657
- >
658
- Atom coloring
659
- <select bind:value={atom_color_config.mode}>
660
- {#each Object.entries(SETTINGS_CONFIG.structure.atom_color_mode.enum || {}) as
661
- [value, label]
662
- (value)
663
- }
664
- <option {value} disabled={!sym_data && value === `wyckoff`}>{label}</option>
665
- {/each}
666
- </select>
667
- </label>
668
- {#if atom_color_config.mode !== `element`}
669
- <label
670
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.atom_color_scale.description })}
671
- >
672
- Color scale
673
- <ColorScaleSelect
674
- bind:value={atom_color_config.scale}
675
- bind:selected={color_scale_selected}
676
- colorbar={{
677
- tick_labels: 0,
678
- wrapper_style: `width: 100%;`,
679
- }}
680
- style="flex: 1; min-width: 0; border: none"
681
- aria-label="Color scale"
682
- />
683
- </label>
684
- {/if}
685
- </SettingsSection>
686
-
687
- {#if scene_props.show_site_labels || scene_props.show_site_indices}
688
- <SettingsSection
689
- title="Labels"
690
- current_values={{
691
- site_label_size: scene_props.site_label_size,
692
- site_label_hex_color,
693
- site_label_bg_hex_color,
694
- site_label_background_opacity,
695
- site_label_padding: scene_props.site_label_padding,
696
- site_label_offset: scene_props.site_label_offset,
697
- }}
698
- on_reset={() => {
699
- scene_props.site_label_size = DEFAULTS.structure.site_label_size
700
- scene_props.site_label_padding = DEFAULTS.structure.site_label_padding
701
- scene_props.site_label_offset = [...DEFAULTS.structure.site_label_offset]
702
- site_label_hex_color = default_site_label_color
703
- site_label_bg_hex_color = default_site_label_bg.hex_color
704
- site_label_background_opacity = default_site_label_bg.opacity
705
- }}
706
- >
707
- <div class="pane-row">
708
- <label>
709
- Color
710
- <input
711
- type="color"
712
- aria-label="Site label color"
713
- bind:value={site_label_hex_color}
714
- />
715
- </label>
716
- <label>
717
- Size
718
- <input
719
- type="range"
720
- min="0.5"
721
- max="2"
722
- step="0.1"
723
- bind:value={scene_props.site_label_size}
724
- />
725
- </label>
726
- </div>
727
- <div class="pane-row">
728
- <label>
729
- Background
730
- <input
731
- type="color"
732
- aria-label="Site label background color"
733
- bind:value={site_label_bg_hex_color}
734
- />
735
- </label>
736
- <label>
737
- Opacity
738
- <input
739
- type="number"
740
- min="0"
741
- max="1"
742
- step="0.01"
743
- aria-label="Site label background opacity"
744
- bind:value={site_label_background_opacity}
745
- />
746
- <input
747
- type="range"
748
- min="0"
749
- max="1"
750
- step="0.01"
751
- aria-label="Site label background opacity slider"
752
- bind:value={site_label_background_opacity}
753
- />
754
- </label>
755
- </div>
756
- <div class="pane-row">
757
- <label>
758
- Padding
759
- <input
760
- type="number"
761
- min="0"
762
- max="10"
763
- step="1"
764
- bind:value={scene_props.site_label_padding}
765
- />
766
- <input
767
- type="range"
768
- min="0"
769
- max="10"
770
- step="1"
771
- bind:value={scene_props.site_label_padding}
772
- />
773
- </label>
774
- </div>
775
- <div class="pane-row">
776
- Offset
777
- {#each [`X`, `Y`, `Z`] as axis, idx (axis)}
778
- <label>
779
- {axis}
780
- <input
781
- type="number"
782
- min="-1"
783
- max="1"
784
- step="0.1"
785
- bind:value={scene_props.site_label_offset![idx]}
786
- />
787
- </label>
788
- {/each}
789
- </div>
790
- </SettingsSection>
791
- {/if}
792
-
793
- {#if available_vector_keys.length > 0 && any_vectors_visible}
794
- <SettingsSection
795
- title="Site Vectors"
796
- current_values={{
797
- vector_scale: scene_props.vector_scale,
798
- vector_color: scene_props.vector_color,
799
- vector_normalize: scene_props.vector_normalize,
800
- vector_uniform_thickness: scene_props.vector_uniform_thickness,
801
- vector_color_mode: scene_props.vector_color_mode,
802
- vector_color_scale: scene_props.vector_color_scale,
803
- vector_origin_gap: scene_props.vector_origin_gap,
804
- }}
805
- on_reset={() => {
806
- scene_props.vector_scale = DEFAULTS.structure.vector_scale
807
- scene_props.vector_color = DEFAULTS.structure.vector_color
808
- scene_props.vector_color_mode = DEFAULTS.structure.vector_color_mode
809
- scene_props.vector_color_scale = DEFAULTS.structure.vector_color_scale
810
- scene_props.vector_normalize = DEFAULTS.structure.vector_normalize
811
- scene_props.vector_uniform_thickness =
812
- DEFAULTS.structure.vector_uniform_thickness
813
- scene_props.vector_origin_gap = DEFAULTS.structure.vector_origin_gap
814
- for (const key of available_vector_keys) {
815
- update_vector_config(key, { scale: null })
816
- }
817
- }}
818
- >
819
- <label>
820
- Global Scale
821
- <input
822
- type="number"
823
- min={0.001}
824
- max={5}
825
- step={0.001}
826
- bind:value={scene_props.vector_scale}
827
- />
828
- <input
829
- type="range"
830
- min={0.001}
831
- max={5}
832
- step={0.001}
833
- bind:value={scene_props.vector_scale}
834
- />
835
- </label>
836
- <label
837
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.vector_normalize.description })}
838
- style="gap: 6pt"
839
- >
840
- <input type="checkbox" bind:checked={scene_props.vector_normalize} />
841
- Normalize
842
- </label>
843
- <label
844
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.vector_uniform_thickness.description })}
845
- style="gap: 6pt"
846
- >
847
- <input type="checkbox" bind:checked={scene_props.vector_uniform_thickness} />
848
- Uniform Thickness
849
- </label>
850
- <label
851
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.vector_color_mode.description })}
852
- >
853
- Color Mode
854
- <select bind:value={scene_props.vector_color_mode}>
855
- {#each VECTOR_COLOR_MODES as mode (mode)}
856
- <option value={mode}>{mode.replaceAll(`_`, ` `)}</option>
857
- {/each}
858
- </select>
859
- </label>
860
- {#if scene_props.vector_color_mode === `magnitude`}
861
- <label>
862
- Scale
863
- <ColorScaleSelect
864
- bind:value={scene_props.vector_color_scale}
865
- style="max-width: 180px"
866
- />
867
- </label>
868
- {/if}
869
- {#if scene_props.vector_color_mode === `uniform`}
870
- <label>
871
- Color
872
- <input type="color" bind:value={scene_props.vector_color} />
873
- </label>
874
- {/if}
875
- {#if available_vector_keys.length > 1}
876
- <label
877
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.vector_origin_gap.description })}
878
- >
879
- Origin Gap
880
- <input
881
- type="number"
882
- min={0}
883
- max={0.5}
884
- step={0.02}
885
- bind:value={scene_props.vector_origin_gap}
886
- />
887
- <input
888
- type="range"
889
- min={0}
890
- max={0.5}
891
- step={0.02}
892
- bind:value={scene_props.vector_origin_gap}
893
- />
894
- </label>
895
- {#each available_vector_keys as key (key)}
896
- {#if is_key_visible(key)}
897
- {@const on_scale = (
898
- evt: Event & { currentTarget: HTMLInputElement },
899
- ) => {
900
- const parsed = parseFloat(evt.currentTarget.value)
901
- update_vector_config(key, { scale: Number.isNaN(parsed) ? 1.0 : parsed })
902
- }}
903
- <label
904
- {@attach tooltip({ content: `Scale multiplier for ${key} arrows (applied on top of global scale)` })}
905
- >
906
- {key} scale
907
- <input
908
- type="number"
909
- min={0.1}
910
- max={5}
911
- step={0.1}
912
- value={scene_props.vector_configs?.[key]?.scale ?? 1.0}
913
- onchange={on_scale}
914
- />
915
- <input
916
- type="range"
917
- min={0.1}
918
- max={5}
919
- step={0.1}
920
- value={scene_props.vector_configs?.[key]?.scale ?? 1.0}
921
- oninput={on_scale}
922
- />
923
- </label>
924
- {/if}
925
- {/each}
926
- {/if}
927
- </SettingsSection>
928
- {/if}
929
-
930
- {#if has_lattice}
931
- <SettingsSection
932
- title="Cell"
933
- current_values={{
934
- cell_edge_color: lattice_props.cell_edge_color,
935
- cell_edge_opacity: lattice_props.cell_edge_opacity,
936
- cell_surface_color: lattice_props.cell_surface_color,
937
- cell_surface_opacity: lattice_props.cell_surface_opacity,
938
- supercell_scaling,
939
- cell_type,
940
- }}
941
- on_reset={() => {
942
- lattice_props.cell_edge_color = DEFAULTS.structure.cell_edge_color
943
- lattice_props.cell_edge_opacity = DEFAULTS.structure.cell_edge_opacity
944
- lattice_props.cell_surface_color = DEFAULTS.structure.cell_surface_color
945
- lattice_props.cell_surface_opacity = DEFAULTS.structure.cell_surface_opacity
946
- supercell_scaling = `1x1x1`
947
- cell_type = `original`
948
- }}
949
- >
950
- <label
951
- {@attach tooltip({
952
- content: sym_data
953
- ? `Transform to conventional or primitive cell using crystallographic symmetry`
954
- : `Symmetry analysis required. Wait for analysis to complete.`,
955
- })}
956
- >
957
- <span>Cell Type</span>
958
- <select bind:value={cell_type} disabled={!sym_data}>
959
- <option value="original">Original</option>
960
- <option value="conventional">Conventional</option>
961
- <option value="primitive">Primitive</option>
962
- </select>
963
- </label>
964
- <label>
965
- <span
966
- {@attach tooltip({ content: `Create supercells by repeating the unit cell. Examples: "2x2x2", "3x1x2", or "2"` })}
967
- >
968
- Supercell Scaling
969
- </span>
970
- <input
971
- type="text"
972
- bind:value={supercell_scaling}
973
- placeholder="1x1x1"
974
- style:border={supercell_input_valid ? undefined : `1px dashed red`}
975
- style:opacity={supercell_loading ? 0.5 : 1}
976
- disabled={supercell_loading}
977
- inputmode="text"
978
- autocomplete="off"
979
- spellcheck="false"
980
- pattern="^(\d+|\d+x\d+x\d+)$"
981
- aria-invalid={!supercell_input_valid}
982
- title={supercell_input_valid
983
- ? `Valid supercell scaling: ${supercell_scaling}`
984
- : `Invalid format. Use "2x2x2", "3x1x2", or "2"`}
985
- />
986
- </label>
987
- {#if supercell_loading}
988
- <div
989
- style="display: flex; align-items: center; gap: 8px; font-size: 0.85em; color: var(--accent-color); margin-top: 4pt"
990
- >
991
- <span
992
- class="spinner-icon"
993
- style="display: inline-block; width: 12px; height: 12px; border: 2px solid currentColor; border-right-color: transparent; border-radius: 50%; animation: spin 0.8s linear infinite"
994
- ></span>
995
- <span>Generating supercell...</span>
996
- </div>
997
- {/if}
998
-
999
- {#if !supercell_input_valid}
1000
- <div
1001
- data-testid="supercell-input-error"
1002
- style="color: red; font-size: 0.8em; margin-top: 4pt"
1003
- >
1004
- Invalid format. Use patterns like "2x2x2", "3x1x2", or "2".
1005
- </div>
1006
- {/if}
1007
-
1008
- {#each [
1009
- {
1010
- label: `Edge color`,
1011
- color_prop: `cell_edge_color`,
1012
- opacity_prop: `cell_edge_opacity`,
1013
- step: 0.05,
1014
- },
1015
- {
1016
- label: `Surface color`,
1017
- color_prop: `cell_surface_color`,
1018
- opacity_prop: `cell_surface_opacity`,
1019
- step: 0.01,
1020
- },
1021
- ] as const as
1022
- { label, color_prop, opacity_prop, step }
1023
- (label)
1024
- }
1025
- <div class="pane-row">
1026
- <label>
1027
- {label}
1028
- <input
1029
- type="color"
1030
- bind:value={lattice_props[color_prop]}
1031
- />
1032
- </label>
1033
- <label>
1034
- opacity
1035
- <input
1036
- type="number"
1037
- min={0}
1038
- max={1}
1039
- {step}
1040
- bind:value={lattice_props[opacity_prop]}
1041
- />
1042
- <input
1043
- type="range"
1044
- min={0}
1045
- max={1}
1046
- {step}
1047
- bind:value={lattice_props[opacity_prop]}
1048
- />
1049
- </label>
1050
- </div>
1051
- {/each}
1052
- </SettingsSection>
1053
- {/if}
1054
-
1055
- <SettingsSection
1056
- title="Background"
1057
- current_values={{
1058
- background_color,
1059
- background_opacity,
1060
- }}
1061
- on_reset={() => {
1062
- background_color = undefined
1063
- background_opacity = DEFAULTS.background_opacity
1064
- }}
1065
- >
1066
- <div class="pane-row">
1067
- <label>
1068
- Color
1069
- <!-- not using bind:value to not give a default value of #000000 to background_color, needs to stay undefined to not override --struct-bg theme color -->
1070
- <input
1071
- type="color"
1072
- value={background_color}
1073
- oninput={(event) => {
1074
- background_color = event.currentTarget.value
1075
- }}
1076
- />
1077
- </label>
1078
- <label>
1079
- Opacity
1080
- <input
1081
- type="number"
1082
- min={0}
1083
- max={1}
1084
- step={0.02}
1085
- bind:value={background_opacity}
1086
- />
1087
- <input type="range" min={0} max={1} step={0.02} bind:value={background_opacity} />
1088
- </label>
1089
- </div>
1090
- </SettingsSection>
1091
-
1092
- <SettingsSection
1093
- title="Lighting"
1094
- current_values={{
1095
- directional_light: scene_props.directional_light,
1096
- ambient_light: scene_props.ambient_light,
1097
- }}
1098
- on_reset={() => {
1099
- scene_props.directional_light = DEFAULTS.structure.directional_light
1100
- scene_props.ambient_light = DEFAULTS.structure.ambient_light
1101
- }}
1102
- >
1103
- <label>
1104
- <span title="Intensity of the directional light" {@attach tooltip()}>
1105
- Directional light
1106
- </span>
1107
- <input
1108
- type="number"
1109
- min={0}
1110
- max={4}
1111
- step={0.01}
1112
- bind:value={scene_props.directional_light}
1113
- />
1114
- <input
1115
- type="range"
1116
- min={0}
1117
- max={4}
1118
- step={0.01}
1119
- bind:value={scene_props.directional_light}
1120
- />
1121
- </label>
1122
- <label>
1123
- <span title="Intensity of the ambient light" {@attach tooltip()}>
1124
- Ambient light
1125
- </span>
1126
- <input
1127
- type="number"
1128
- min={0.5}
1129
- max={3}
1130
- step={0.05}
1131
- bind:value={scene_props.ambient_light}
1132
- />
1133
- <input
1134
- type="range"
1135
- min={0.5}
1136
- max={3}
1137
- step={0.05}
1138
- bind:value={scene_props.ambient_light}
1139
- />
1140
- </label>
1141
- </SettingsSection>
1142
-
1143
- {#if scene_props.show_bonds && scene_props.show_bonds !== `never`}
1144
- <SettingsSection
1145
- title="Bonds"
1146
- current_values={{
1147
- bonding_strategy: scene_props.bonding_strategy,
1148
- auto_bond_order: scene_props.auto_bond_order,
1149
- aromatic_display: scene_props.aromatic_display,
1150
- bond_color: scene_props.bond_color,
1151
- bond_thickness: scene_props.bond_thickness,
1152
- }}
1153
- on_reset={() => {
1154
- scene_props.bonding_strategy = DEFAULTS.structure.bonding_strategy
1155
- scene_props.auto_bond_order = DEFAULTS.structure.auto_bond_order
1156
- scene_props.aromatic_display = DEFAULTS.structure.aromatic_display
1157
- scene_props.bond_color = DEFAULTS.structure.bond_color
1158
- scene_props.bond_thickness = DEFAULTS.structure.bond_thickness
1159
- }}
1160
- >
1161
- <label>
1162
- Strategy <select bind:value={scene_props.bonding_strategy}>
1163
- {#each Object.entries(
1164
- SETTINGS_CONFIG.structure.bonding_strategy.enum ?? {},
1165
- ) as
1166
- [value, label]
1167
- (value)
1168
- }
1169
- <option {value}>{label}</option>
1170
- {/each}
1171
- </select>
1172
- </label>
1173
- <label
1174
- style="gap: 6pt"
1175
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.auto_bond_order.description })}
1176
- >
1177
- <input type="checkbox" bind:checked={scene_props.auto_bond_order} />
1178
- Auto bond order (perceive double/triple/aromatic)
1179
- </label>
1180
- {#if scene_props.auto_bond_order}
1181
- <label
1182
- {@attach tooltip({ content: SETTINGS_CONFIG.structure.aromatic_display.description })}
1183
- >
1184
- Aromatic display <select bind:value={scene_props.aromatic_display}>
1185
- {#each Object.entries(
1186
- SETTINGS_CONFIG.structure.aromatic_display.enum ?? {},
1187
- ) as
1188
- [value, label]
1189
- (value)
1190
- }
1191
- <option {value}>{label}</option>
1192
- {/each}
1193
- </select>
1194
- </label>
1195
- {/if}
1196
- <label>
1197
- Color <input type="color" bind:value={scene_props.bond_color} />
1198
- </label>
1199
- <label>
1200
- Thickness
1201
- <input
1202
- type="number"
1203
- min={0.05}
1204
- max={0.5}
1205
- step={0.05}
1206
- bind:value={scene_props.bond_thickness}
1207
- />
1208
- <input
1209
- type="range"
1210
- min={0.05}
1211
- max={0.5}
1212
- step={0.05}
1213
- bind:value={scene_props.bond_thickness}
1214
- />
1215
- </label>
1216
- </SettingsSection>
1217
- {/if}
1218
- </DraggablePane>
1219
-
1220
- <style>
1221
- .rotation-axes {
1222
- display: flex;
1223
- gap: 10pt;
1224
- }
1225
- .rotation-axes > div {
1226
- display: grid;
1227
- gap: 0.4em;
1228
- place-items: center;
1229
- }
1230
- :global(.controls-pane) {
1231
- font-size: 0.85em;
1232
- }
1233
-
1234
- :global(.controls-pane section) {
1235
- display: flex;
1236
- flex-direction: column;
1237
- gap: 6pt;
1238
- }
1239
- :global(.controls-pane h4) {
1240
- margin: 10pt 0 4pt !important;
1241
- }
1242
- :global(.controls-pane h4:first-of-type) {
1243
- margin-top: 0 !important;
1244
- }
1245
- .pane-row {
1246
- display: flex;
1247
- gap: 12pt;
1248
- justify-content: space-between;
1249
- width: 100%;
1250
- }
1251
- label {
1252
- display: flex;
1253
- align-items: center;
1254
- gap: 10pt;
1255
- }
1256
- input,
1257
- select {
1258
- font-size: inherit;
1259
- font-family: inherit;
1260
- }
1261
- input[type='range'] {
1262
- flex: 1;
1263
- min-width: 40px;
1264
- }
1265
- @keyframes spin {
1266
- from {
1267
- transform: rotate(0deg);
1268
- }
1269
- to {
1270
- transform: rotate(360deg);
1271
- }
1272
- }
1273
- </style>