matterviz 0.3.1 → 0.3.3

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (358) hide show
  1. package/dist/EmptyState.svelte +10 -2
  2. package/dist/FilePicker.svelte +154 -96
  3. package/dist/Icon.svelte +20 -14
  4. package/dist/MillerIndexInput.svelte +27 -21
  5. package/dist/api/optimade.js +6 -6
  6. package/dist/app.css +216 -178
  7. package/dist/brillouin/BrillouinZone.svelte +299 -198
  8. package/dist/brillouin/BrillouinZone.svelte.d.ts +1 -1
  9. package/dist/brillouin/BrillouinZoneControls.svelte +32 -5
  10. package/dist/brillouin/BrillouinZoneExportPane.svelte +74 -55
  11. package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +1 -1
  12. package/dist/brillouin/BrillouinZoneInfoPane.svelte +99 -68
  13. package/dist/brillouin/BrillouinZoneScene.svelte +277 -165
  14. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
  15. package/dist/brillouin/BrillouinZoneTooltip.svelte +17 -7
  16. package/dist/brillouin/compute.js +11 -6
  17. package/dist/chempot-diagram/ChemPotDiagram.svelte +327 -0
  18. package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
  19. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +847 -0
  20. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
  21. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +3194 -0
  22. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
  23. package/dist/chempot-diagram/ChemPotScene3D.svelte +11 -0
  24. package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
  25. package/dist/chempot-diagram/async-compute.svelte.d.ts +3 -0
  26. package/dist/chempot-diagram/async-compute.svelte.js +77 -0
  27. package/dist/chempot-diagram/chempot-worker.d.ts +1 -0
  28. package/dist/chempot-diagram/chempot-worker.js +11 -0
  29. package/dist/chempot-diagram/color.d.ts +10 -0
  30. package/dist/chempot-diagram/color.js +32 -0
  31. package/dist/chempot-diagram/compute.d.ts +48 -0
  32. package/dist/chempot-diagram/compute.js +812 -0
  33. package/dist/chempot-diagram/index.d.ts +6 -0
  34. package/dist/chempot-diagram/index.js +6 -0
  35. package/dist/chempot-diagram/pointer.d.ts +16 -0
  36. package/dist/chempot-diagram/pointer.js +40 -0
  37. package/dist/chempot-diagram/temperature.d.ts +15 -0
  38. package/dist/chempot-diagram/temperature.js +36 -0
  39. package/dist/chempot-diagram/types.d.ts +86 -0
  40. package/dist/chempot-diagram/types.js +28 -0
  41. package/dist/colors/index.d.ts +3 -1
  42. package/dist/colors/index.js +9 -3
  43. package/dist/composition/BarChart.svelte +141 -77
  44. package/dist/composition/BubbleChart.svelte +107 -52
  45. package/dist/composition/Composition.svelte +100 -79
  46. package/dist/composition/Formula.svelte +108 -62
  47. package/dist/composition/FormulaFilter.svelte +973 -353
  48. package/dist/composition/FormulaFilter.svelte.d.ts +35 -1
  49. package/dist/composition/PieChart.svelte +199 -99
  50. package/dist/composition/PieChart.svelte.d.ts +1 -1
  51. package/dist/composition/format.d.ts +5 -0
  52. package/dist/composition/format.js +20 -3
  53. package/dist/composition/parse.js +14 -9
  54. package/dist/convex-hull/ConvexHull.svelte +93 -38
  55. package/dist/convex-hull/ConvexHull2D.svelte +551 -393
  56. package/dist/convex-hull/ConvexHull3D.svelte +1303 -825
  57. package/dist/convex-hull/ConvexHull4D.svelte +1012 -686
  58. package/dist/convex-hull/ConvexHullControls.svelte +115 -28
  59. package/dist/convex-hull/ConvexHullInfoPane.svelte +29 -3
  60. package/dist/convex-hull/ConvexHullStats.svelte +821 -249
  61. package/dist/convex-hull/ConvexHullStats.svelte.d.ts +6 -1
  62. package/dist/convex-hull/ConvexHullTooltip.svelte +41 -16
  63. package/dist/convex-hull/GasPressureControls.svelte +104 -61
  64. package/dist/convex-hull/StructurePopup.svelte +25 -4
  65. package/dist/convex-hull/TemperatureSlider.svelte +45 -25
  66. package/dist/convex-hull/barycentric-coords.js +13 -7
  67. package/dist/convex-hull/demo-temperature.d.ts +6 -0
  68. package/dist/convex-hull/demo-temperature.js +40 -0
  69. package/dist/convex-hull/gas-thermodynamics.js +17 -12
  70. package/dist/convex-hull/helpers.d.ts +10 -1
  71. package/dist/convex-hull/helpers.js +79 -38
  72. package/dist/convex-hull/index.d.ts +1 -0
  73. package/dist/convex-hull/index.js +1 -0
  74. package/dist/convex-hull/thermodynamics.d.ts +8 -21
  75. package/dist/convex-hull/thermodynamics.js +163 -69
  76. package/dist/convex-hull/types.d.ts +12 -12
  77. package/dist/convex-hull/types.js +0 -12
  78. package/dist/coordination/CoordinationBarPlot.svelte +232 -176
  79. package/dist/element/BohrAtom.svelte +56 -13
  80. package/dist/element/ElementHeading.svelte +7 -2
  81. package/dist/element/ElementPhoto.svelte +15 -9
  82. package/dist/element/ElementStats.svelte +10 -4
  83. package/dist/element/ElementTile.svelte +137 -73
  84. package/dist/element/Nucleus.svelte +39 -11
  85. package/dist/element/data.js +2 -14
  86. package/dist/element/data.json.gz +0 -0
  87. package/dist/element/types.d.ts +1 -0
  88. package/dist/feedback/ClickFeedback.svelte +16 -5
  89. package/dist/feedback/DragOverlay.svelte +10 -2
  90. package/dist/feedback/Spinner.svelte +4 -2
  91. package/dist/feedback/StatusMessage.svelte +8 -2
  92. package/dist/fermi-surface/FermiSlice.svelte +118 -88
  93. package/dist/fermi-surface/FermiSurface.svelte +336 -239
  94. package/dist/fermi-surface/FermiSurface.svelte.d.ts +1 -1
  95. package/dist/fermi-surface/FermiSurfaceControls.svelte +113 -46
  96. package/dist/fermi-surface/FermiSurfaceScene.svelte +536 -343
  97. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
  98. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +14 -5
  99. package/dist/fermi-surface/compute.js +16 -20
  100. package/dist/fermi-surface/parse.js +37 -33
  101. package/dist/fermi-surface/symmetry.js +2 -7
  102. package/dist/fermi-surface/types.d.ts +3 -5
  103. package/dist/heatmap-matrix/HeatmapMatrix.svelte +1527 -0
  104. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
  105. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  106. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +30 -0
  107. package/dist/heatmap-matrix/index.d.ts +53 -0
  108. package/dist/heatmap-matrix/index.js +100 -0
  109. package/dist/heatmap-matrix/shared.d.ts +2 -0
  110. package/dist/heatmap-matrix/shared.js +4 -0
  111. package/dist/icons.d.ts +111 -0
  112. package/dist/icons.js +158 -0
  113. package/dist/index.d.ts +5 -2
  114. package/dist/index.js +5 -2
  115. package/dist/io/decompress.js +1 -1
  116. package/dist/io/export.d.ts +3 -0
  117. package/dist/io/export.js +138 -140
  118. package/dist/io/file-drop.d.ts +7 -0
  119. package/dist/io/file-drop.js +43 -0
  120. package/dist/io/index.d.ts +2 -2
  121. package/dist/io/index.js +2 -112
  122. package/dist/io/is-binary.js +2 -3
  123. package/dist/io/types.d.ts +1 -0
  124. package/dist/io/url-drop.d.ts +2 -0
  125. package/dist/io/url-drop.js +117 -0
  126. package/dist/isosurface/Isosurface.svelte +220 -110
  127. package/dist/isosurface/IsosurfaceControls.svelte +65 -28
  128. package/dist/isosurface/parse.js +104 -56
  129. package/dist/isosurface/slice.d.ts +2 -1
  130. package/dist/isosurface/slice.js +8 -13
  131. package/dist/isosurface/types.d.ts +14 -1
  132. package/dist/isosurface/types.js +152 -5
  133. package/dist/labels.d.ts +2 -1
  134. package/dist/labels.js +12 -8
  135. package/dist/layout/FullscreenToggle.svelte +11 -2
  136. package/dist/layout/InfoCard.svelte +38 -6
  137. package/dist/layout/InfoTag.svelte +125 -94
  138. package/dist/layout/PropertyFilter.svelte +82 -37
  139. package/dist/layout/SettingsSection.svelte +85 -55
  140. package/dist/layout/SubpageGrid.svelte +82 -0
  141. package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
  142. package/dist/layout/index.d.ts +1 -0
  143. package/dist/layout/index.js +1 -0
  144. package/dist/layout/json-tree/JsonNode.svelte +266 -223
  145. package/dist/layout/json-tree/JsonTree.svelte +516 -429
  146. package/dist/layout/json-tree/JsonTree.svelte.d.ts +1 -1
  147. package/dist/layout/json-tree/JsonValue.svelte +281 -173
  148. package/dist/layout/json-tree/types.d.ts +10 -2
  149. package/dist/layout/json-tree/utils.d.ts +2 -0
  150. package/dist/layout/json-tree/utils.js +37 -2
  151. package/dist/marching-cubes.js +25 -2
  152. package/dist/math.d.ts +20 -17
  153. package/dist/math.js +474 -57
  154. package/dist/overlays/ContextMenu.svelte +66 -40
  155. package/dist/overlays/DraggablePane.svelte +331 -154
  156. package/dist/overlays/DraggablePane.svelte.d.ts +2 -0
  157. package/dist/periodic-table/PeriodicTable.svelte +278 -145
  158. package/dist/periodic-table/PeriodicTableControls.svelte +178 -128
  159. package/dist/periodic-table/PropertySelect.svelte +25 -7
  160. package/dist/periodic-table/TableInset.svelte +8 -3
  161. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +559 -267
  162. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -2
  163. package/dist/phase-diagram/PhaseDiagramControls.svelte +131 -51
  164. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +3 -2
  165. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
  166. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
  167. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +160 -110
  168. package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +8 -1
  169. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +217 -86
  170. package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +6 -3
  171. package/dist/phase-diagram/TdbInfoPanel.svelte +28 -4
  172. package/dist/phase-diagram/build-diagram.js +9 -9
  173. package/dist/phase-diagram/colors.js +1 -3
  174. package/dist/phase-diagram/index.d.ts +2 -0
  175. package/dist/phase-diagram/index.js +2 -0
  176. package/dist/phase-diagram/parse.js +10 -9
  177. package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
  178. package/dist/phase-diagram/svg-to-diagram.js +869 -0
  179. package/dist/phase-diagram/types.d.ts +10 -0
  180. package/dist/phase-diagram/utils.d.ts +8 -4
  181. package/dist/phase-diagram/utils.js +219 -74
  182. package/dist/plot/AxisLabel.svelte +51 -0
  183. package/dist/plot/AxisLabel.svelte.d.ts +16 -0
  184. package/dist/plot/BarPlot.svelte +1461 -768
  185. package/dist/plot/BarPlot.svelte.d.ts +3 -3
  186. package/dist/plot/BarPlotControls.svelte +33 -6
  187. package/dist/plot/BarPlotControls.svelte.d.ts +1 -1
  188. package/dist/plot/ColorBar.svelte +533 -383
  189. package/dist/plot/ColorBar.svelte.d.ts +1 -1
  190. package/dist/plot/ColorScaleSelect.svelte +28 -7
  191. package/dist/plot/ElementScatter.svelte +38 -16
  192. package/dist/plot/FillArea.svelte +152 -92
  193. package/dist/plot/Histogram.svelte +1162 -709
  194. package/dist/plot/Histogram.svelte.d.ts +1 -1
  195. package/dist/plot/HistogramControls.svelte +81 -18
  196. package/dist/plot/HistogramControls.svelte.d.ts +6 -2
  197. package/dist/plot/InteractiveAxisLabel.svelte +34 -11
  198. package/dist/plot/InteractiveAxisLabel.svelte.d.ts +1 -1
  199. package/dist/plot/Line.svelte +63 -28
  200. package/dist/plot/PlotControls.svelte +221 -96
  201. package/dist/plot/PlotControls.svelte.d.ts +1 -1
  202. package/dist/plot/PlotLegend.svelte +174 -91
  203. package/dist/plot/PlotTooltip.svelte +45 -6
  204. package/dist/plot/PortalSelect.svelte +175 -146
  205. package/dist/plot/ReferenceLine.svelte +77 -22
  206. package/dist/plot/ReferenceLine.svelte.d.ts +1 -0
  207. package/dist/plot/ReferenceLine3D.svelte +132 -107
  208. package/dist/plot/ReferencePlane.svelte +146 -123
  209. package/dist/plot/ScatterPlot.svelte +1880 -1156
  210. package/dist/plot/ScatterPlot.svelte.d.ts +3 -3
  211. package/dist/plot/ScatterPlot3D.svelte +256 -131
  212. package/dist/plot/ScatterPlot3D.svelte.d.ts +2 -2
  213. package/dist/plot/ScatterPlot3DControls.svelte +300 -297
  214. package/dist/plot/ScatterPlot3DControls.svelte.d.ts +2 -1
  215. package/dist/plot/ScatterPlot3DScene.svelte +608 -406
  216. package/dist/plot/ScatterPlot3DScene.svelte.d.ts +2 -2
  217. package/dist/plot/ScatterPlotControls.svelte +150 -70
  218. package/dist/plot/ScatterPlotControls.svelte.d.ts +1 -1
  219. package/dist/plot/ScatterPoint.svelte +98 -26
  220. package/dist/plot/ScatterPoint.svelte.d.ts +1 -0
  221. package/dist/plot/SpacegroupBarPlot.svelte +142 -85
  222. package/dist/plot/Surface3D.svelte +159 -108
  223. package/dist/plot/ZeroLines.svelte +96 -0
  224. package/dist/plot/ZeroLines.svelte.d.ts +32 -0
  225. package/dist/plot/ZoomRect.svelte +23 -0
  226. package/dist/plot/ZoomRect.svelte.d.ts +8 -0
  227. package/dist/plot/axis-utils.d.ts +1 -1
  228. package/dist/plot/axis-utils.js +1 -3
  229. package/dist/plot/data-cleaning.js +12 -28
  230. package/dist/plot/data-transform.js +2 -1
  231. package/dist/plot/fill-utils.js +2 -0
  232. package/dist/plot/index.d.ts +6 -2
  233. package/dist/plot/index.js +6 -2
  234. package/dist/plot/interactions.d.ts +8 -10
  235. package/dist/plot/interactions.js +2 -3
  236. package/dist/plot/layout.d.ts +11 -2
  237. package/dist/plot/layout.js +44 -17
  238. package/dist/plot/reference-line.d.ts +5 -22
  239. package/dist/plot/reference-line.js +12 -84
  240. package/dist/plot/scales.js +24 -36
  241. package/dist/plot/types.d.ts +53 -40
  242. package/dist/plot/types.js +12 -7
  243. package/dist/plot/utils/label-placement.d.ts +32 -15
  244. package/dist/plot/utils/label-placement.js +227 -63
  245. package/dist/plot/utils/series-visibility.js +2 -3
  246. package/dist/plot/utils.d.ts +1 -0
  247. package/dist/plot/utils.js +14 -0
  248. package/dist/rdf/RdfPlot.svelte +173 -132
  249. package/dist/rdf/calc-rdf.js +4 -5
  250. package/dist/sanitize.d.ts +4 -0
  251. package/dist/sanitize.js +107 -0
  252. package/dist/settings.d.ts +21 -6
  253. package/dist/settings.js +63 -19
  254. package/dist/spectral/Bands.svelte +963 -412
  255. package/dist/spectral/Bands.svelte.d.ts +22 -2
  256. package/dist/spectral/BandsAndDos.svelte +90 -49
  257. package/dist/spectral/BrillouinBandsDos.svelte +151 -93
  258. package/dist/spectral/Dos.svelte +389 -258
  259. package/dist/spectral/helpers.d.ts +23 -1
  260. package/dist/spectral/helpers.js +119 -51
  261. package/dist/spectral/types.d.ts +2 -0
  262. package/dist/state.svelte.d.ts +1 -1
  263. package/dist/state.svelte.js +3 -2
  264. package/dist/structure/Arrow.svelte +59 -20
  265. package/dist/structure/AtomLegend.svelte +231 -129
  266. package/dist/structure/AtomLegend.svelte.d.ts +1 -1
  267. package/dist/structure/Bond.svelte +73 -47
  268. package/dist/structure/CanvasTooltip.svelte +10 -2
  269. package/dist/structure/CellSelect.svelte +148 -51
  270. package/dist/structure/Cylinder.svelte +33 -17
  271. package/dist/structure/Lattice.svelte +88 -33
  272. package/dist/structure/Structure.svelte +1077 -821
  273. package/dist/structure/Structure.svelte.d.ts +1 -1
  274. package/dist/structure/StructureControls.svelte +373 -139
  275. package/dist/structure/StructureControls.svelte.d.ts +1 -1
  276. package/dist/structure/StructureExportPane.svelte +124 -89
  277. package/dist/structure/StructureExportPane.svelte.d.ts +1 -1
  278. package/dist/structure/StructureInfoPane.svelte +304 -231
  279. package/dist/structure/StructureScene.svelte +919 -445
  280. package/dist/structure/StructureScene.svelte.d.ts +16 -7
  281. package/dist/structure/atom-properties.d.ts +6 -2
  282. package/dist/structure/atom-properties.js +42 -29
  283. package/dist/structure/bonding.js +6 -7
  284. package/dist/structure/export.js +22 -34
  285. package/dist/structure/ferrox-wasm-types.d.ts +3 -2
  286. package/dist/structure/ferrox-wasm-types.js +0 -3
  287. package/dist/structure/ferrox-wasm.d.ts +3 -2
  288. package/dist/structure/ferrox-wasm.js +2 -3
  289. package/dist/structure/index.d.ts +16 -0
  290. package/dist/structure/index.js +88 -6
  291. package/dist/structure/measure.d.ts +2 -2
  292. package/dist/structure/measure.js +4 -44
  293. package/dist/structure/parse.js +130 -155
  294. package/dist/structure/partial-occupancy.d.ts +25 -0
  295. package/dist/structure/partial-occupancy.js +99 -0
  296. package/dist/structure/pbc.d.ts +1 -0
  297. package/dist/structure/pbc.js +16 -6
  298. package/dist/structure/supercell.d.ts +2 -2
  299. package/dist/structure/supercell.js +12 -22
  300. package/dist/structure/validation.js +5 -3
  301. package/dist/symmetry/SymmetryStats.svelte +94 -37
  302. package/dist/symmetry/WyckoffTable.svelte +42 -14
  303. package/dist/symmetry/cell-transform.js +5 -3
  304. package/dist/symmetry/index.d.ts +7 -4
  305. package/dist/symmetry/index.js +87 -21
  306. package/dist/symmetry/spacegroups.js +148 -148
  307. package/dist/table/HeatmapTable.svelte +1112 -516
  308. package/dist/table/HeatmapTable.svelte.d.ts +12 -1
  309. package/dist/table/ToggleMenu.svelte +125 -90
  310. package/dist/table/index.d.ts +2 -0
  311. package/dist/table/index.js +2 -4
  312. package/dist/theme/ThemeControl.svelte +21 -12
  313. package/dist/time.js +4 -1
  314. package/dist/tooltip/TooltipContent.svelte +33 -8
  315. package/dist/trajectory/Trajectory.svelte +889 -687
  316. package/dist/trajectory/TrajectoryError.svelte +14 -3
  317. package/dist/trajectory/TrajectoryExportPane.svelte +148 -90
  318. package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +1 -1
  319. package/dist/trajectory/TrajectoryInfoPane.svelte +272 -143
  320. package/dist/trajectory/constants.d.ts +6 -0
  321. package/dist/trajectory/constants.js +7 -0
  322. package/dist/trajectory/extract.js +13 -31
  323. package/dist/trajectory/format-detect.d.ts +9 -0
  324. package/dist/trajectory/format-detect.js +76 -0
  325. package/dist/trajectory/frame-reader.d.ts +17 -0
  326. package/dist/trajectory/frame-reader.js +332 -0
  327. package/dist/trajectory/helpers.d.ts +14 -0
  328. package/dist/trajectory/helpers.js +172 -0
  329. package/dist/trajectory/index.d.ts +1 -0
  330. package/dist/trajectory/index.js +23 -14
  331. package/dist/trajectory/parse/ase.d.ts +2 -0
  332. package/dist/trajectory/parse/ase.js +77 -0
  333. package/dist/trajectory/parse/hdf5.d.ts +2 -0
  334. package/dist/trajectory/parse/hdf5.js +129 -0
  335. package/dist/trajectory/parse/index.d.ts +12 -0
  336. package/dist/trajectory/parse/index.js +299 -0
  337. package/dist/trajectory/parse/lammps.d.ts +5 -0
  338. package/dist/trajectory/parse/lammps.js +179 -0
  339. package/dist/trajectory/parse/vasp.d.ts +2 -0
  340. package/dist/trajectory/parse/vasp.js +68 -0
  341. package/dist/trajectory/parse/xyz.d.ts +2 -0
  342. package/dist/trajectory/parse/xyz.js +110 -0
  343. package/dist/trajectory/plotting.js +13 -8
  344. package/dist/trajectory/types.d.ts +11 -0
  345. package/dist/trajectory/types.js +1 -0
  346. package/dist/utils.d.ts +3 -0
  347. package/dist/utils.js +17 -0
  348. package/dist/xrd/XrdPlot.svelte +337 -245
  349. package/dist/xrd/broadening.js +14 -9
  350. package/dist/xrd/calc-xrd.js +12 -19
  351. package/dist/xrd/parse.d.ts +1 -1
  352. package/dist/xrd/parse.js +17 -17
  353. package/package.json +103 -101
  354. package/readme.md +4 -4
  355. package/dist/trajectory/parse.d.ts +0 -42
  356. package/dist/trajectory/parse.js +0 -1267
  357. /package/dist/element/{data.json.d.ts → data.json.gz.d.ts} +0 -0
  358. /package/dist/theme/{themes.js → themes.mjs} +0 -0
@@ -1,53 +1,74 @@
1
- <script lang="ts">import DraggablePane from '../overlays/DraggablePane.svelte';
2
- import { export_canvas_as_png } from '../io/export';
3
- import { tooltip } from 'svelte-multiselect/attachments';
4
- let { export_pane_open = $bindable(false), bz_data, wrapper, scene, camera, filename = `brillouin-zone`, png_dpi = $bindable(150), ...rest } = $props();
5
- let copy_status = $state(false);
6
- const copy_confirm = `✅`;
7
- function export_as_png() {
8
- const canvas = wrapper?.querySelector(`canvas`);
9
- if (!canvas || !scene || !camera)
10
- return;
11
- const dpi = Math.max(50, Math.min(600, Math.trunc(png_dpi)));
12
- const png_name = `${filename}-${bz_data?.order ?? `1`}.png`;
13
- export_canvas_as_png(canvas, png_name, dpi, scene, camera);
14
- }
15
- function export_as_json() {
16
- const json_data = get_json_data();
17
- if (!json_data || !bz_data)
18
- return;
1
+ <script lang="ts">
2
+ import { export_canvas_as_png } from '../io/export'
3
+ import DraggablePane from '../overlays/DraggablePane.svelte'
4
+ import type { ComponentProps } from 'svelte'
5
+ import { CopyButton } from 'svelte-multiselect'
6
+ import { tooltip } from 'svelte-multiselect/attachments'
7
+ import type { HTMLAttributes } from 'svelte/elements'
8
+ import type { Camera, Scene } from 'three'
9
+ import type { BrillouinZoneData } from './types'
10
+
11
+ let {
12
+ export_pane_open = $bindable(false),
13
+ bz_data,
14
+ wrapper,
15
+ scene,
16
+ camera,
17
+ filename = `brillouin-zone`,
18
+ png_dpi = $bindable(150),
19
+ ...rest
20
+ }: HTMLAttributes<HTMLDivElement> & {
21
+ export_pane_open?: boolean
22
+ bz_data?: BrillouinZoneData
23
+ wrapper?: HTMLDivElement
24
+ scene?: Scene
25
+ camera?: Camera
26
+ filename?: string
27
+ png_dpi?: number
28
+ } = $props()
29
+
30
+ let json_copy_state = $state<ComponentProps<typeof CopyButton>[`state`]>(`ready`)
31
+
32
+ function export_as_png() {
33
+ const canvas = wrapper?.querySelector(`canvas`)
34
+ if (!canvas || !scene || !camera) return
35
+
36
+ const dpi = Math.max(50, Math.min(600, Math.trunc(png_dpi)))
37
+ const png_name = `${filename}-${bz_data?.order ?? `1`}.png`
38
+ export_canvas_as_png(canvas, png_name, dpi, scene, camera)
39
+ }
40
+
41
+ function export_as_json() {
42
+ const json_data = get_json_data()
43
+ if (!json_data || !bz_data) return
44
+
19
45
  const blob = new Blob([JSON.stringify(json_data, null, 2)], {
20
- type: `application/json`,
21
- });
22
- const url = URL.createObjectURL(blob);
23
- const link = document.createElement(`a`);
24
- link.href = url;
25
- link.download = `${filename}-bz-order-${bz_data.order}.json`;
26
- link.click();
27
- URL.revokeObjectURL(url);
28
- }
29
- function get_json_data() {
30
- if (!bz_data)
31
- return null;
46
+ type: `application/json`,
47
+ })
48
+ const url = URL.createObjectURL(blob)
49
+ const link = document.createElement(`a`)
50
+ link.href = url
51
+ link.download = `${filename}-bz-order-${bz_data.order}.json`
52
+ link.click()
53
+ URL.revokeObjectURL(url)
54
+ }
55
+
56
+ function get_json_data() {
57
+ if (!bz_data) return null
32
58
  return {
33
- order: bz_data.order,
34
- volume: bz_data.volume,
35
- vertices: bz_data.vertices,
36
- faces: bz_data.faces,
37
- edges: bz_data.edges,
38
- reciprocal_lattice: bz_data.k_lattice,
39
- };
40
- }
41
- async function copy_json() {
42
- const json_data = get_json_data();
43
- if (!json_data)
44
- return;
45
- await navigator.clipboard.writeText(JSON.stringify(json_data, null, 2));
46
- copy_status = true;
47
- setTimeout(() => {
48
- copy_status = false;
49
- }, 1000);
50
- }
59
+ order: bz_data.order,
60
+ volume: bz_data.volume,
61
+ vertices: bz_data.vertices,
62
+ faces: bz_data.faces,
63
+ edges: bz_data.edges,
64
+ reciprocal_lattice: bz_data.k_lattice,
65
+ }
66
+ }
67
+
68
+ let json_string = $derived.by(() => {
69
+ const json_data = get_json_data()
70
+ return json_data ? JSON.stringify(json_data, null, 2) : null
71
+ })
51
72
  </script>
52
73
 
53
74
  <DraggablePane
@@ -97,14 +118,12 @@ async function copy_json() {
97
118
  >
98
119
 
99
120
  </button>
100
- <button
101
- type="button"
102
- onclick={copy_json}
103
- disabled={!bz_data}
121
+ <CopyButton
122
+ content={json_string ?? ``}
123
+ bind:state={json_copy_state}
124
+ disabled={!json_string}
104
125
  title="Copy JSON to clipboard"
105
- >
106
- {copy_status ? copy_confirm : `📋`}
107
- </button>
126
+ />
108
127
  </label>
109
128
  </DraggablePane>
110
129
 
@@ -10,6 +10,6 @@ type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
10
10
  filename?: string;
11
11
  png_dpi?: number;
12
12
  };
13
- declare const BrillouinZoneExportPane: import("svelte").Component<$$ComponentProps, {}, "export_pane_open" | "png_dpi">;
13
+ declare const BrillouinZoneExportPane: import("svelte").Component<$$ComponentProps, {}, "png_dpi" | "export_pane_open">;
14
14
  type BrillouinZoneExportPane = ReturnType<typeof BrillouinZoneExportPane>;
15
15
  export default BrillouinZoneExportPane;
@@ -1,76 +1,107 @@
1
- <script lang="ts">import DraggablePane from '../overlays/DraggablePane.svelte';
2
- import { format_num } from '../labels';
3
- import { analyze_structure_symmetry } from '../symmetry';
4
- let { pane_open = $bindable(false), structure, bz_data, pane_props = {}, } = $props();
5
- let sym_data = $state(null);
6
- $effect(() => {
7
- sym_data = null;
8
- if (!pane_open || !structure || !(`lattice` in structure))
9
- return;
1
+ <script lang="ts">
2
+ import type { InfoItem } from '../layout'
3
+ import DraggablePane from '../overlays/DraggablePane.svelte'
4
+ import { format_num } from '../labels'
5
+ import { sanitize_html } from '../sanitize'
6
+ import type { Crystal } from '../structure'
7
+ import { analyze_structure_symmetry } from '../symmetry'
8
+ import type { MoyoDataset } from '@spglib/moyo-wasm'
9
+ import type { ComponentProps } from 'svelte'
10
+ import type { BrillouinZoneData } from './types'
11
+
12
+ let {
13
+ pane_open = $bindable(false),
14
+ structure,
15
+ bz_data,
16
+ pane_props = {},
17
+ }: {
18
+ pane_open?: boolean
19
+ structure?: Crystal
20
+ bz_data?: BrillouinZoneData
21
+ pane_props?: ComponentProps<typeof DraggablePane>[`pane_props`]
22
+ } = $props()
23
+
24
+ let sym_data = $state<MoyoDataset | null>(null)
25
+
26
+ $effect(() => {
27
+ sym_data = null
28
+ if (!pane_open || !structure || !(`lattice` in structure)) return
29
+
10
30
  analyze_structure_symmetry(structure, {})
11
- .then((data) => (sym_data = data))
12
- .catch(console.error);
13
- });
14
- let pane_data = $derived.by(() => {
15
- if (!structure || !bz_data)
16
- return [];
17
- const sections = [];
31
+ .then((data) => (sym_data = data))
32
+ .catch(console.error)
33
+ })
34
+
35
+ let pane_data = $derived.by(() => {
36
+ if (!structure || !bz_data) return []
37
+ const sections: { title: string; items: InfoItem[] }[] = []
38
+
18
39
  // Brillouin Zone section
19
- const bz_order_suffix = [`st`, `nd`, `rd`][bz_data.order - 1] ?? `th`;
40
+ const bz_order_suffix = [`st`, `nd`, `rd`][bz_data.order - 1] ?? `th`
20
41
  sections.push({
21
- title: `Brillouin Zone`,
22
- items: [
23
- {
24
- label: `Order`,
25
- value: `${bz_data.order}${bz_order_suffix}`,
26
- key: `bz-order`,
27
- },
28
- {
29
- label: `Volume`,
30
- value: `${format_num(bz_data.volume, `.3f`)} Å⁻³`,
31
- key: `bz-volume`,
32
- },
33
- {
34
- label: `Vertices / Faces`,
35
- value: `${bz_data.vertices.length} / ${bz_data.faces.length}`,
36
- key: `bz-vertices`,
37
- },
38
- {
39
- label: `Space Group`,
40
- value: `${sym_data?.number ?? ``} ${sym_data?.hm_symbol ? `(${sym_data.hm_symbol})` : ``}`.trim(),
41
- key: `space-group`,
42
- },
43
- ],
44
- });
42
+ title: `Brillouin Zone`,
43
+ items: [
44
+ {
45
+ label: `Order`,
46
+ value: `${bz_data.order}${bz_order_suffix}`,
47
+ key: `bz-order`,
48
+ },
49
+ {
50
+ label: `Volume`,
51
+ value: `${format_num(bz_data.volume, `.3f`)} Å⁻³`,
52
+ key: `bz-volume`,
53
+ },
54
+ {
55
+ label: `Vertices / Faces`,
56
+ value: `${bz_data.vertices.length} / ${bz_data.faces.length}`,
57
+ key: `bz-vertices`,
58
+ },
59
+ {
60
+ label: `Space Group`,
61
+ value: `${sym_data?.number ?? ``} ${
62
+ sym_data?.hm_symbol ? `(${sym_data.hm_symbol})` : ``
63
+ }`.trim(),
64
+ key: `space-group`,
65
+ },
66
+ ],
67
+ })
68
+
45
69
  // Real Lattice section
46
70
  sections.push({
47
- title: `Real Lattice`,
48
- items: [
49
- {
50
- label: `a, b, c`,
51
- value: `${[structure.lattice.a, structure.lattice.b, structure.lattice.c]
52
- .map((val) => format_num(val, `.3~f`))
53
- .join(`, `)} Å`,
54
- key: `real-lattice-abc`,
55
- },
56
- {
57
- label: `α, β, γ`,
58
- value: `${[structure.lattice.alpha, structure.lattice.beta, structure.lattice.gamma]
59
- .map((val) => format_num(val, `.2~f`))
60
- .join(`, `)}°`,
61
- key: `real-lattice-angles`,
62
- },
63
- ],
64
- });
71
+ title: `Real Lattice`,
72
+ items: [
73
+ {
74
+ label: `a, b, c`,
75
+ value: `${
76
+ [structure.lattice.a, structure.lattice.b, structure.lattice.c]
77
+ .map((val) => format_num(val, `.3~f`))
78
+ .join(`, `)
79
+ } Å`,
80
+ key: `real-lattice-abc`,
81
+ },
82
+ {
83
+ label: `α, β, γ`,
84
+ value: `${
85
+ [structure.lattice.alpha, structure.lattice.beta, structure.lattice.gamma]
86
+ .map((val) => format_num(val, `.2~f`))
87
+ .join(`, `)
88
+ }°`,
89
+ key: `real-lattice-angles`,
90
+ },
91
+ ],
92
+ })
93
+
65
94
  // Reciprocal Lattice section
66
- const k_lattice_items = bz_data.k_lattice.map((vec, idx) => ({
67
- label: [`b₁`, `b₂`, `b₃`][idx],
68
- value: `(${vec.map((x) => format_num(x, `.3~f`)).join(`, `)})`,
69
- key: `reciprocal-${[`b1`, `b2`, `b3`][idx]}`,
70
- }));
71
- sections.push({ title: `Reciprocal Lattice (Å⁻¹)`, items: k_lattice_items });
72
- return sections;
73
- });
95
+ const k_lattice_items: InfoItem[] = bz_data.k_lattice.map((vec, idx) => ({
96
+ label: [`b₁`, `b₂`, `b₃`][idx],
97
+ value: `(${vec.map((x) => format_num(x, `.3~f`)).join(`, `)})`,
98
+ key: `reciprocal-${[`b1`, `b2`, `b3`][idx]}`,
99
+ }))
100
+
101
+ sections.push({ title: `Reciprocal Lattice (Å⁻¹)`, items: k_lattice_items })
102
+
103
+ return sections
104
+ })
74
105
  </script>
75
106
 
76
107
  {#if structure && bz_data}
@@ -88,7 +119,7 @@ let pane_data = $derived.by(() => {
88
119
  {#each section.items as item (item.key ?? item.label)}
89
120
  <div class="info-item">
90
121
  <span>{item.label}</span>
91
- <span>{@html item.value}</span>
122
+ <span>{@html sanitize_html(item.value)}</span>
92
123
  </div>
93
124
  {/each}
94
125
  </section>