matterviz 0.4.1 → 0.4.2

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 (395) hide show
  1. package/dist/EmptyState.svelte +10 -4
  2. package/dist/FilePicker.svelte +12 -14
  3. package/dist/Icon.svelte +7 -4
  4. package/dist/MillerIndexInput.svelte +2 -2
  5. package/dist/app.css +53 -0
  6. package/dist/brillouin/BrillouinZone.svelte +75 -85
  7. package/dist/brillouin/BrillouinZone.svelte.d.ts +5 -7
  8. package/dist/brillouin/BrillouinZoneControls.svelte +3 -6
  9. package/dist/brillouin/BrillouinZoneExportPane.svelte +18 -14
  10. package/dist/brillouin/BrillouinZoneInfoPane.svelte +6 -10
  11. package/dist/brillouin/BrillouinZoneScene.svelte +26 -39
  12. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
  13. package/dist/chempot-diagram/ChemPotDiagram.svelte +33 -38
  14. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +62 -74
  15. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +1 -1
  16. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +511 -547
  17. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +1 -1
  18. package/dist/chempot-diagram/async-compute.svelte.js +1 -1
  19. package/dist/chempot-diagram/controls-state.svelte.js +1 -1
  20. package/dist/colors/index.d.ts +0 -4
  21. package/dist/colors/index.js +19 -20
  22. package/dist/composition/BarChart.svelte +37 -31
  23. package/dist/composition/BubbleChart.svelte +17 -17
  24. package/dist/composition/Composition.svelte +7 -11
  25. package/dist/composition/Formula.svelte +18 -25
  26. package/dist/composition/FormulaFilter.svelte +92 -95
  27. package/dist/composition/PieChart.svelte +55 -41
  28. package/dist/composition/format.js +1 -1
  29. package/dist/composition/index.d.ts +2 -0
  30. package/dist/composition/index.js +14 -0
  31. package/dist/composition/parse.d.ts +2 -2
  32. package/dist/composition/parse.js +11 -10
  33. package/dist/constants.js +11 -9
  34. package/dist/convex-hull/ConvexHull.svelte +12 -15
  35. package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -1
  36. package/dist/convex-hull/ConvexHull2D.svelte +93 -92
  37. package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
  38. package/dist/convex-hull/ConvexHull3D.svelte +109 -140
  39. package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
  40. package/dist/convex-hull/ConvexHull4D.svelte +75 -94
  41. package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
  42. package/dist/convex-hull/ConvexHullChrome.svelte +36 -40
  43. package/dist/convex-hull/ConvexHullControls.svelte +46 -48
  44. package/dist/convex-hull/ConvexHullStats.svelte +193 -195
  45. package/dist/convex-hull/ConvexHullTooltip.svelte +5 -12
  46. package/dist/convex-hull/GasPressureControls.svelte +5 -12
  47. package/dist/convex-hull/StructurePopup.svelte +17 -21
  48. package/dist/convex-hull/StructurePopup.svelte.d.ts +2 -0
  49. package/dist/convex-hull/TemperatureSlider.svelte +4 -10
  50. package/dist/convex-hull/canvas-interactions.svelte.js +2 -1
  51. package/dist/convex-hull/helpers.d.ts +8 -10
  52. package/dist/convex-hull/helpers.js +36 -36
  53. package/dist/convex-hull/hull-state.svelte.d.ts +1 -1
  54. package/dist/convex-hull/thermodynamics.js +18 -17
  55. package/dist/coordination/CoordinationBarPlot.svelte +38 -33
  56. package/dist/coordination/CoordinationBarPlot.svelte.d.ts +1 -1
  57. package/dist/coordination/calc-coordination.d.ts +1 -1
  58. package/dist/coordination/calc-coordination.js +28 -25
  59. package/dist/element/BohrAtom.svelte +5 -8
  60. package/dist/element/ElementHeading.svelte +4 -1
  61. package/dist/element/ElementPhoto.svelte +11 -9
  62. package/dist/element/ElementStats.svelte +12 -10
  63. package/dist/element/ElementTile.svelte +24 -29
  64. package/dist/element/Nucleus.svelte +4 -2
  65. package/dist/element/data.d.ts +1 -2
  66. package/dist/element/helpers.d.ts +4 -0
  67. package/dist/element/helpers.js +18 -0
  68. package/dist/element/index.d.ts +1 -4
  69. package/dist/element/index.js +3 -18
  70. package/dist/feedback/DragOverlay.svelte +5 -5
  71. package/dist/feedback/DragOverlay.svelte.d.ts +2 -2
  72. package/dist/feedback/StatusMessage.svelte +7 -4
  73. package/dist/fermi-surface/FermiSlice.svelte +21 -18
  74. package/dist/fermi-surface/FermiSurface.svelte +14 -22
  75. package/dist/fermi-surface/FermiSurface.svelte.d.ts +5 -7
  76. package/dist/fermi-surface/FermiSurfaceControls.svelte +6 -20
  77. package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +1 -1
  78. package/dist/fermi-surface/FermiSurfaceScene.svelte +37 -64
  79. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
  80. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +9 -6
  81. package/dist/fermi-surface/compute.js +3 -3
  82. package/dist/fermi-surface/parse.js +22 -24
  83. package/dist/heatmap-matrix/HeatmapMatrix.svelte +109 -148
  84. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +2 -2
  85. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +9 -7
  86. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +1 -1
  87. package/dist/heatmap-matrix/index.d.ts +5 -0
  88. package/dist/icons.d.ts +4 -0
  89. package/dist/icons.js +4 -0
  90. package/dist/io/ExportPane.svelte +10 -6
  91. package/dist/io/decompress.d.ts +2 -1
  92. package/dist/io/decompress.js +22 -35
  93. package/dist/io/export.d.ts +4 -0
  94. package/dist/io/export.js +5 -1
  95. package/dist/io/fetch.d.ts +0 -3
  96. package/dist/io/fetch.js +0 -11
  97. package/dist/io/index.d.ts +0 -1
  98. package/dist/io/index.js +2 -9
  99. package/dist/io/is-binary.d.ts +9 -0
  100. package/dist/io/is-binary.js +45 -1
  101. package/dist/io/url-drop.js +13 -25
  102. package/dist/isosurface/Isosurface.svelte +17 -23
  103. package/dist/isosurface/IsosurfaceControls.svelte +37 -42
  104. package/dist/isosurface/parse-vaspwave.d.ts +3 -0
  105. package/dist/isosurface/parse-vaspwave.js +138 -0
  106. package/dist/isosurface/parse.js +6 -6
  107. package/dist/labels.d.ts +6 -2
  108. package/dist/labels.js +43 -13
  109. package/dist/layout/FullscreenButton.svelte +2 -1
  110. package/dist/layout/FullscreenToggle.svelte +10 -4
  111. package/dist/layout/InfoCard.svelte +7 -18
  112. package/dist/layout/InfoTag.svelte +1 -3
  113. package/dist/layout/NumberRangeInput.svelte +46 -0
  114. package/dist/layout/NumberRangeInput.svelte.d.ts +12 -0
  115. package/dist/layout/PropertyFilter.svelte +2 -6
  116. package/dist/layout/SettingsSection.svelte +21 -17
  117. package/dist/layout/SubpageGrid.svelte +3 -1
  118. package/dist/layout/ViewerChrome.svelte +9 -10
  119. package/dist/layout/ViewerChrome.svelte.d.ts +2 -1
  120. package/dist/layout/fullscreen.js +3 -5
  121. package/dist/layout/fullscreen.svelte.js +1 -2
  122. package/dist/layout/index.d.ts +1 -0
  123. package/dist/layout/index.js +1 -0
  124. package/dist/layout/json-tree/JsonNode.svelte +8 -11
  125. package/dist/layout/json-tree/JsonTree.svelte +53 -77
  126. package/dist/layout/json-tree/JsonValue.svelte +7 -15
  127. package/dist/layout/json-tree/utils.js +14 -23
  128. package/dist/math.d.ts +2 -0
  129. package/dist/math.js +19 -0
  130. package/dist/overlays/ContextMenu.svelte +4 -2
  131. package/dist/overlays/CopyButton.svelte +11 -5
  132. package/dist/overlays/DragControlTab.svelte +6 -1
  133. package/dist/overlays/DraggablePane.svelte +81 -26
  134. package/dist/overlays/DraggablePane.svelte.d.ts +1 -0
  135. package/dist/overlays/GlassChip.svelte +30 -0
  136. package/dist/overlays/GlassChip.svelte.d.ts +8 -0
  137. package/dist/overlays/InfoPaneCards.svelte +11 -23
  138. package/dist/overlays/index.d.ts +7 -0
  139. package/dist/overlays/index.js +26 -0
  140. package/dist/overlays/portal.d.ts +2 -0
  141. package/dist/overlays/portal.js +14 -0
  142. package/dist/periodic-table/PeriodicTable.svelte +113 -145
  143. package/dist/periodic-table/PeriodicTable.svelte.d.ts +5 -3
  144. package/dist/periodic-table/PeriodicTableControls.svelte +11 -63
  145. package/dist/periodic-table/TableInset.svelte +9 -4
  146. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +50 -71
  147. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -8
  148. package/dist/phase-diagram/PhaseDiagramControls.svelte +70 -94
  149. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +1 -1
  150. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +2 -1
  151. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +12 -12
  152. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +54 -58
  153. package/dist/phase-diagram/TdbInfoPanel.svelte +21 -15
  154. package/dist/phase-diagram/build-diagram.js +3 -3
  155. package/dist/phase-diagram/diagram-input.d.ts +1 -2
  156. package/dist/phase-diagram/parse.js +15 -15
  157. package/dist/phase-diagram/svg-to-diagram.js +21 -15
  158. package/dist/phase-diagram/utils.js +2 -3
  159. package/dist/plot/bar/BarPlot.svelte +430 -391
  160. package/dist/plot/bar/BarPlot.svelte.d.ts +2 -0
  161. package/dist/plot/bar/BarPlotControls.svelte +1 -3
  162. package/dist/plot/bar/BarPlotControls.svelte.d.ts +4 -6
  163. package/dist/plot/bar/SpacegroupBarPlot.svelte +29 -36
  164. package/dist/plot/bar/data.d.ts +5 -4
  165. package/dist/plot/bar/data.js +2 -1
  166. package/dist/plot/box/BoxPlot.svelte +301 -209
  167. package/dist/plot/box/BoxPlot.svelte.d.ts +2 -0
  168. package/dist/plot/box/Violin.svelte.d.ts +1 -0
  169. package/dist/plot/box/box-plot.js +1 -1
  170. package/dist/plot/core/auto-place.js +1 -1
  171. package/dist/plot/core/axis-utils.d.ts +12 -7
  172. package/dist/plot/core/axis-utils.js +48 -48
  173. package/dist/plot/core/components/AxisLabel.svelte +82 -20
  174. package/dist/plot/core/components/AxisLabel.svelte.d.ts +1 -0
  175. package/dist/plot/core/components/ColorBar.svelte +101 -106
  176. package/dist/plot/core/components/ColorScaleSelect.svelte +1 -1
  177. package/dist/plot/core/components/FillArea.svelte +10 -17
  178. package/dist/plot/core/components/HierarchyControls.svelte +249 -0
  179. package/dist/plot/{sunburst/SunburstControls.svelte.d.ts → core/components/HierarchyControls.svelte.d.ts} +12 -8
  180. package/dist/plot/core/components/InteractiveAxisLabel.svelte +1 -1
  181. package/dist/plot/core/components/InteractiveAxisLabel.svelte.d.ts +1 -1
  182. package/dist/plot/core/components/Line.svelte +18 -9
  183. package/dist/plot/core/components/Line.svelte.d.ts +2 -0
  184. package/dist/plot/core/components/PlotAxis.svelte +40 -17
  185. package/dist/plot/core/components/PlotControls.svelte +65 -41
  186. package/dist/plot/core/components/PlotLegend.svelte +31 -35
  187. package/dist/plot/core/components/PlotMarginals.svelte +616 -0
  188. package/dist/plot/core/components/PlotMarginals.svelte.d.ts +15 -0
  189. package/dist/plot/core/components/PlotTooltip.svelte +1 -1
  190. package/dist/plot/core/components/PortalSelect.svelte +4 -8
  191. package/dist/plot/core/components/ReferenceLine.svelte +27 -24
  192. package/dist/plot/core/components/ReferenceLine3D.svelte +54 -57
  193. package/dist/plot/core/components/ReferencePlane.svelte +7 -8
  194. package/dist/plot/core/components/ZeroLines.svelte +4 -8
  195. package/dist/plot/core/components/ZoomRect.svelte +1 -2
  196. package/dist/plot/core/components/index.d.ts +1 -0
  197. package/dist/plot/core/components/index.js +1 -0
  198. package/dist/plot/core/data-cleaning-signal.d.ts +46 -0
  199. package/dist/plot/core/data-cleaning-signal.js +467 -0
  200. package/dist/plot/core/data-cleaning.d.ts +2 -42
  201. package/dist/plot/core/data-cleaning.js +27 -474
  202. package/dist/plot/core/data-transform.js +9 -5
  203. package/dist/plot/core/fill-utils.d.ts +3 -1
  204. package/dist/plot/core/fill-utils.js +28 -6
  205. package/dist/plot/core/index.d.ts +1 -0
  206. package/dist/plot/core/index.js +1 -0
  207. package/dist/plot/core/interactions.js +0 -2
  208. package/dist/plot/core/layout.d.ts +3 -1
  209. package/dist/plot/core/layout.js +22 -13
  210. package/dist/plot/core/marginals.d.ts +170 -0
  211. package/dist/plot/core/marginals.js +436 -0
  212. package/dist/plot/core/reference-line.js +1 -1
  213. package/dist/plot/core/scales.d.ts +23 -0
  214. package/dist/plot/core/scales.js +39 -13
  215. package/dist/plot/core/types/fills.d.ts +101 -0
  216. package/dist/plot/core/types/fills.js +15 -0
  217. package/dist/plot/core/types/plot-3d.d.ts +87 -0
  218. package/dist/plot/core/types/plot-3d.js +4 -0
  219. package/dist/plot/core/types/reference-lines.d.ts +140 -0
  220. package/dist/plot/core/types/reference-lines.js +9 -0
  221. package/dist/plot/core/types.d.ts +29 -324
  222. package/dist/plot/core/types.js +23 -20
  223. package/dist/plot/core/utils/hierarchy-chart.d.ts +51 -0
  224. package/dist/plot/core/utils/hierarchy-chart.js +179 -0
  225. package/dist/plot/core/utils/hierarchy-labels.d.ts +20 -0
  226. package/dist/plot/core/utils/hierarchy-labels.js +99 -0
  227. package/dist/plot/core/utils/label-placement.js +2 -2
  228. package/dist/plot/histogram/Histogram.svelte +304 -325
  229. package/dist/plot/histogram/Histogram.svelte.d.ts +7 -7
  230. package/dist/plot/histogram/HistogramControls.svelte +30 -28
  231. package/dist/plot/histogram/histogram.d.ts +31 -0
  232. package/dist/plot/histogram/histogram.js +70 -0
  233. package/dist/plot/histogram/index.d.ts +1 -0
  234. package/dist/plot/histogram/index.js +1 -0
  235. package/dist/plot/index.d.ts +1 -0
  236. package/dist/plot/index.js +1 -0
  237. package/dist/plot/sankey/Sankey.svelte +78 -69
  238. package/dist/plot/sankey/Sankey.svelte.d.ts +2 -2
  239. package/dist/plot/sankey/SankeyControls.svelte +22 -16
  240. package/dist/plot/scatter/BinnedScatterPlot.svelte +263 -109
  241. package/dist/plot/scatter/BinnedScatterPlot.svelte.d.ts +7 -0
  242. package/dist/plot/scatter/ElementScatter.svelte +4 -1
  243. package/dist/plot/scatter/ScatterPlot.svelte +477 -385
  244. package/dist/plot/scatter/ScatterPlot.svelte.d.ts +2 -0
  245. package/dist/plot/scatter/ScatterPlotControls.svelte +18 -19
  246. package/dist/plot/scatter/ScatterPlotControls.svelte.d.ts +1 -1
  247. package/dist/plot/scatter/ScatterPoint.svelte +16 -9
  248. package/dist/plot/scatter/binned-scatter-types.d.ts +3 -2
  249. package/dist/plot/scatter/binned-scatter-types.js +6 -1
  250. package/dist/plot/scatter/scatter-data.d.ts +1 -1
  251. package/dist/plot/scatter/scatter-data.js +8 -7
  252. package/dist/plot/scatter-3d/ScatterPlot3D.svelte +25 -34
  253. package/dist/plot/scatter-3d/ScatterPlot3D.svelte.d.ts +2 -2
  254. package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte +8 -5
  255. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte +113 -116
  256. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte.d.ts +2 -2
  257. package/dist/plot/scatter-3d/Surface3D.svelte +4 -13
  258. package/dist/plot/sunburst/Sunburst.svelte +251 -329
  259. package/dist/plot/sunburst/Sunburst.svelte.d.ts +2 -2
  260. package/dist/plot/sunburst/index.d.ts +1 -1
  261. package/dist/plot/sunburst/index.js +2 -1
  262. package/dist/plot/sunburst/render.d.ts +2 -2
  263. package/dist/plot/sunburst/render.js +47 -22
  264. package/dist/plot/sunburst/sunburst.d.ts +5 -1
  265. package/dist/plot/sunburst/sunburst.js +10 -3
  266. package/dist/plot/treemap/Treemap.svelte +907 -0
  267. package/dist/plot/treemap/Treemap.svelte.d.ts +84 -0
  268. package/dist/plot/treemap/index.d.ts +3 -0
  269. package/dist/plot/treemap/index.js +4 -0
  270. package/dist/plot/treemap/treemap.d.ts +26 -0
  271. package/dist/plot/treemap/treemap.js +99 -0
  272. package/dist/rdf/RdfPlot.svelte +22 -26
  273. package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
  274. package/dist/rdf/calc-rdf.js +4 -8
  275. package/dist/sanitize.js +1 -1
  276. package/dist/scene/bind-renderer.svelte.js +14 -6
  277. package/dist/settings.d.ts +19 -9
  278. package/dist/settings.js +77 -50
  279. package/dist/spectral/Bands.svelte +223 -230
  280. package/dist/spectral/BandsAndDos.svelte +11 -9
  281. package/dist/spectral/BrillouinBandsDos.svelte +19 -27
  282. package/dist/spectral/Dos.svelte +70 -73
  283. package/dist/spectral/helpers.d.ts +3 -3
  284. package/dist/spectral/helpers.js +25 -35
  285. package/dist/state.svelte.js +5 -18
  286. package/dist/structure/Arrow.svelte +5 -18
  287. package/dist/structure/ArrowInstances.svelte +160 -0
  288. package/dist/structure/ArrowInstances.svelte.d.ts +16 -0
  289. package/dist/structure/AtomLegend.svelte +115 -75
  290. package/dist/structure/AtomLegend.svelte.d.ts +1 -1
  291. package/dist/structure/Bond.svelte +31 -23
  292. package/dist/structure/CanvasTooltip.svelte +15 -3
  293. package/dist/structure/CellSelect.svelte +11 -26
  294. package/dist/structure/Cylinder.svelte +24 -40
  295. package/dist/structure/InstancedAtoms.svelte +114 -0
  296. package/dist/structure/InstancedAtoms.svelte.d.ts +15 -0
  297. package/dist/structure/Lattice.svelte +85 -149
  298. package/dist/structure/SiteLabels.svelte +122 -0
  299. package/dist/structure/SiteLabels.svelte.d.ts +18 -0
  300. package/dist/structure/Structure.svelte +473 -419
  301. package/dist/structure/Structure.svelte.d.ts +4 -2
  302. package/dist/structure/StructureCarousel.svelte +630 -0
  303. package/dist/structure/StructureCarousel.svelte.d.ts +19 -0
  304. package/dist/structure/StructureControls.svelte +157 -399
  305. package/dist/structure/StructureControls.svelte.d.ts +1 -1
  306. package/dist/structure/StructureExportPane.svelte +17 -21
  307. package/dist/structure/StructureInfoPane.svelte +72 -66
  308. package/dist/structure/StructureInfoPane.svelte.d.ts +1 -1
  309. package/dist/structure/StructureScene.svelte +467 -476
  310. package/dist/structure/StructureScene.svelte.d.ts +3 -1
  311. package/dist/structure/StructureViewport.svelte +386 -0
  312. package/dist/structure/StructureViewport.svelte.d.ts +63 -0
  313. package/dist/structure/atom-label-placement.d.ts +16 -12
  314. package/dist/structure/atom-label-placement.js +70 -37
  315. package/dist/structure/atom-properties.d.ts +2 -0
  316. package/dist/structure/atom-properties.js +104 -38
  317. package/dist/structure/bonding.d.ts +10 -3
  318. package/dist/structure/bonding.js +84 -28
  319. package/dist/structure/edit-history.d.ts +6 -0
  320. package/dist/structure/edit-history.js +27 -0
  321. package/dist/structure/export.d.ts +1 -0
  322. package/dist/structure/export.js +39 -31
  323. package/dist/structure/format-detect.d.ts +1 -0
  324. package/dist/structure/format-detect.js +22 -0
  325. package/dist/structure/geometry.d.ts +9 -0
  326. package/dist/structure/geometry.js +27 -0
  327. package/dist/structure/index.d.ts +16 -1
  328. package/dist/structure/index.js +13 -2
  329. package/dist/structure/measure.d.ts +1 -1
  330. package/dist/structure/measure.js +6 -12
  331. package/dist/structure/parse.d.ts +2 -1
  332. package/dist/structure/parse.js +243 -222
  333. package/dist/structure/partial-occupancy.js +4 -2
  334. package/dist/structure/pbc.js +78 -98
  335. package/dist/structure/polyhedra.d.ts +0 -1
  336. package/dist/structure/polyhedra.js +3 -18
  337. package/dist/structure/supercell.d.ts +1 -2
  338. package/dist/structure/supercell.js +7 -13
  339. package/dist/symmetry/SymmetryElements.svelte +11 -15
  340. package/dist/symmetry/SymmetryStats.svelte +56 -68
  341. package/dist/symmetry/WyckoffTable.svelte +5 -24
  342. package/dist/symmetry/cell-transform.js +1 -0
  343. package/dist/symmetry/index.d.ts +1 -0
  344. package/dist/symmetry/index.js +8 -2
  345. package/dist/symmetry/spacegroups.js +3 -2
  346. package/dist/table/HeatmapTable.svelte +1102 -365
  347. package/dist/table/HeatmapTable.svelte.d.ts +12 -2
  348. package/dist/table/ToggleMenu.svelte +5 -12
  349. package/dist/table/index.d.ts +21 -6
  350. package/dist/table/index.js +34 -21
  351. package/dist/theme/ThemeControl.svelte +16 -8
  352. package/dist/theme/index.d.ts +1 -5
  353. package/dist/theme/index.js +4 -10
  354. package/dist/theme/themes.mjs +14 -7
  355. package/dist/tooltip/KCoords.svelte +4 -1
  356. package/dist/tooltip/TooltipContent.svelte +2 -5
  357. package/dist/trajectory/Trajectory.svelte +515 -308
  358. package/dist/trajectory/Trajectory.svelte.d.ts +1 -1
  359. package/dist/trajectory/TrajectoryError.svelte +11 -8
  360. package/dist/trajectory/TrajectoryExportPane.svelte +14 -31
  361. package/dist/trajectory/TrajectoryInfoPane.svelte +85 -97
  362. package/dist/trajectory/extract.js +56 -34
  363. package/dist/trajectory/format-detect.js +11 -9
  364. package/dist/trajectory/frame-reader.d.ts +2 -0
  365. package/dist/trajectory/frame-reader.js +33 -29
  366. package/dist/trajectory/helpers.d.ts +2 -0
  367. package/dist/trajectory/helpers.js +18 -7
  368. package/dist/trajectory/index.d.ts +1 -0
  369. package/dist/trajectory/index.js +3 -0
  370. package/dist/trajectory/parse/h5-utils.d.ts +13 -0
  371. package/dist/trajectory/parse/h5-utils.js +109 -0
  372. package/dist/trajectory/parse/hdf5.d.ts +1 -1
  373. package/dist/trajectory/parse/hdf5.js +116 -106
  374. package/dist/trajectory/parse/index.d.ts +2 -3
  375. package/dist/trajectory/parse/index.js +17 -20
  376. package/dist/trajectory/parse/lammps.js +8 -12
  377. package/dist/trajectory/parse/vasp.js +10 -7
  378. package/dist/trajectory/parse/vaspout-electronic.d.ts +13 -0
  379. package/dist/trajectory/parse/vaspout-electronic.js +207 -0
  380. package/dist/trajectory/parse/vaspout-h5.d.ts +5 -0
  381. package/dist/trajectory/parse/vaspout-h5.js +284 -0
  382. package/dist/trajectory/parse/xyz.js +11 -7
  383. package/dist/trajectory/plotting.d.ts +8 -9
  384. package/dist/trajectory/plotting.js +99 -27
  385. package/dist/utils.d.ts +3 -0
  386. package/dist/utils.js +7 -0
  387. package/dist/xrd/XrdPlot.svelte +47 -61
  388. package/dist/xrd/broadening.js +2 -1
  389. package/dist/xrd/calc-xrd.js +2 -4
  390. package/dist/xrd/parse.d.ts +0 -1
  391. package/dist/xrd/parse.js +56 -73
  392. package/package.json +61 -33
  393. package/dist/api/mp.d.ts +0 -6
  394. package/dist/api/mp.js +0 -22
  395. package/dist/plot/sunburst/SunburstControls.svelte +0 -200
@@ -1,6 +1,7 @@
1
1
  import type { D3InterpolateName } from '../../colors';
2
2
  import type { Point2D } from '../../math';
3
3
  import type { AxisLoadError, BarHandlerProps, BarMode, BarSeries, BarStyle, BasePlotProps, ColorScaleConfig, DataLoaderFn, InternalPoint, LegendConfig, LineStyle, Orientation, PanConfig, PlotConfig, RefLine, RefLineEvent, SizeScaleConfig, UserContentProps } from '..';
4
+ import type { MarginalsProp } from '../core/marginals';
4
5
  import type { Snippet } from 'svelte';
5
6
  import type { HTMLAttributes } from 'svelte/elements';
6
7
  import type { TweenOptions } from 'svelte/motion';
@@ -51,6 +52,7 @@ declare function $$render<Metadata extends Record<string, unknown> = Record<stri
51
52
  on_axis_change?: (axis: `x` | `x2` | `y` | `y2`, key: string, new_series: BarSeries<Metadata>[]) => void;
52
53
  on_error?: (error: AxisLoadError) => void;
53
54
  pan?: PanConfig;
55
+ marginals?: MarginalsProp;
54
56
  };
55
57
  exports: {};
56
58
  bindings: "display" | "mode" | "orientation" | "show_controls" | "x2_axis" | "y_axis" | "y2_axis" | "fullscreen" | "series" | "hovered" | "ref_lines" | "controls_open" | "x_axis";
@@ -26,9 +26,7 @@
26
26
  mode?: BarMode
27
27
  show_controls?: boolean
28
28
  controls_open?: boolean
29
- children?: Snippet<
30
- [{ orientation: Orientation; mode: BarMode } & Required<PlotConfig>]
31
- >
29
+ children?: Snippet<[{ orientation: Orientation; mode: BarMode } & Required<PlotConfig>]>
32
30
  } = $props()
33
31
  </script>
34
32
 
@@ -6,12 +6,10 @@ type $$ComponentProps = Omit<PlotControlsProps, `children` | `post_children`> &
6
6
  mode?: BarMode;
7
7
  show_controls?: boolean;
8
8
  controls_open?: boolean;
9
- children?: Snippet<[
10
- {
11
- orientation: Orientation;
12
- mode: BarMode;
13
- } & Required<PlotConfig>
14
- ]>;
9
+ children?: Snippet<[{
10
+ orientation: Orientation;
11
+ mode: BarMode;
12
+ } & Required<PlotConfig>]>;
15
13
  };
16
14
  declare const BarPlotControls: import("svelte").Component<$$ComponentProps, {}, "display" | "mode" | "orientation" | "show_controls" | "x2_axis" | "y_axis" | "y2_axis" | "controls_open" | "x_axis">;
17
15
  type BarPlotControls = ReturnType<typeof BarPlotControls>;
@@ -10,10 +10,7 @@
10
10
  import { SvelteMap } from 'svelte/reactivity'
11
11
 
12
12
  // Merge tick config with default rotation, preserving user overrides
13
- const with_rotation = (
14
- tick: TickConfig | undefined,
15
- default_rot: number,
16
- ): TickConfig => ({
13
+ const with_rotation = (tick: TickConfig | undefined, default_rot: number): TickConfig => ({
17
14
  ...tick,
18
15
  label: { ...tick?.label, rotation: tick?.label?.rotation ?? default_rot },
19
16
  })
@@ -51,10 +48,7 @@
51
48
 
52
49
  // Group counts by crystal system
53
50
  const crystal_system_stats = $derived.by(() => {
54
- const stats = new SvelteMap<
55
- CrystalSystem,
56
- { count: number; spacegroups: number[] }
57
- >()
51
+ const stats = new SvelteMap<CrystalSystem, { count: number; spacegroups: number[] }>()
58
52
 
59
53
  for (const system of symmetry.CRYSTAL_SYSTEMS) {
60
54
  stats.set(system, { count: 0, spacegroups: [] })
@@ -73,9 +67,7 @@
73
67
  })
74
68
 
75
69
  // Create sorted list of space groups for x-axis
76
- const sorted_spacegroups = $derived(
77
- Array.from(histogram.keys()).sort((a, b) => a - b),
78
- )
70
+ const sorted_spacegroups = $derived(Array.from(histogram.keys()).sort((a, b) => a - b))
79
71
 
80
72
  // Smart tick selection: thin out ticks for dense data
81
73
  const x_axis_ticks = $derived.by(() => {
@@ -91,10 +83,7 @@
91
83
 
92
84
  // Build BarSeries - one series per crystal system for proper coloring
93
85
  const bar_series = $derived.by<BarSeries[]>(() => {
94
- const series_by_system = new SvelteMap<
95
- CrystalSystem,
96
- { x: number[]; y: number[] }
97
- >()
86
+ const series_by_system = new SvelteMap<CrystalSystem, { x: number[]; y: number[] }>()
98
87
 
99
88
  // Group data by crystal system
100
89
  for (const sg of sorted_spacegroups) {
@@ -145,25 +134,27 @@
145
134
 
146
135
  // Build axis configurations based on orientation
147
136
  const x_axis_config = $derived(
148
- orientation === `horizontal` ? { ...x_axis, label: x_axis.label ?? `Counts` } : {
149
- ...x_axis,
150
- label: x_axis.label ?? `International Spacegroup Number`,
151
- range: x_range,
152
- ticks: x_axis_ticks,
153
- tick: with_rotation(x_axis.tick, 90), // Rotate ticks 90° to avoid overlap
154
- label_shift: { x: 0, y: 20, ...x_axis.label_shift }, // Move label down for rotated ticks
155
- },
137
+ orientation === `horizontal`
138
+ ? { ...x_axis, label: x_axis.label ?? `Counts` }
139
+ : {
140
+ ...x_axis,
141
+ label: x_axis.label ?? `International Spacegroup Number`,
142
+ range: x_range,
143
+ ticks: x_axis_ticks,
144
+ tick: with_rotation(x_axis.tick, 90), // Rotate ticks 90° to avoid overlap
145
+ label_shift: { x: 0, y: 20, ...x_axis.label_shift }, // Move label down for rotated ticks
146
+ },
156
147
  )
157
148
 
158
149
  const y_axis_config = $derived(
159
150
  orientation === `horizontal`
160
151
  ? {
161
- ...y_axis,
162
- label: y_axis.label ?? `International Spacegroup Number`,
163
- range: x_range,
164
- ticks: x_axis_ticks,
165
- tick: with_rotation(y_axis.tick, 0),
166
- }
152
+ ...y_axis,
153
+ label: y_axis.label ?? `International Spacegroup Number`,
154
+ range: x_range,
155
+ ticks: x_axis_ticks,
156
+ tick: with_rotation(y_axis.tick, 0),
157
+ }
167
158
  : { ...y_axis, label: y_axis.label ?? `Counts` },
168
159
  )
169
160
  </script>
@@ -178,7 +169,13 @@
178
169
  Count: {format_value(count, `.0f`)}
179
170
  {/snippet}
180
171
 
181
- {#snippet user_content({ width, height, x_scale_fn, y_scale_fn, pad }: {
172
+ {#snippet user_content({
173
+ width,
174
+ height,
175
+ x_scale_fn,
176
+ y_scale_fn,
177
+ pad,
178
+ }: {
182
179
  width: number
183
180
  height: number
184
181
  x_scale_fn: (x: number) => number
@@ -226,9 +223,7 @@
226
223
  font-size="12"
227
224
  fill="var(--text-color, black)"
228
225
  >
229
- {format_num(region.count, `,~`)} ({
230
- format_num(region.count / total_count, `.1~%`)
231
- })
226
+ {format_num(region.count, `,~`)} ({format_num(region.count / total_count, `.1~%`)})
232
227
  </text>
233
228
  {/if}
234
229
  {:else}
@@ -270,9 +265,7 @@
270
265
  font-size="12"
271
266
  fill="var(--text-color, black)"
272
267
  >
273
- {format_num(region.count, `,~`)} ({
274
- format_num(region.count / total_count, `.1~%`)
275
- })
268
+ {format_num(region.count, `,~`)} ({format_num(region.count / total_count, `.1~%`)})
276
269
  </text>
277
270
  {/if}
278
271
  {/if}
@@ -1,3 +1,4 @@
1
+ import type { Vec2 } from '../../math';
1
2
  import type { BarMode, BarSeries, Orientation, ScaleType } from '../core/types';
2
3
  export type NumericBarSeries<Metadata = Record<string, unknown>> = Omit<BarSeries<Metadata>, `x`> & {
3
4
  x: readonly number[];
@@ -27,10 +28,10 @@ export interface BarAutoRangeOpts<Metadata = Record<string, unknown>> {
27
28
  y2_scale_type: ScaleType;
28
29
  }
29
30
  export declare function compute_bar_auto_ranges<Metadata = Record<string, unknown>>(opts: BarAutoRangeOpts<Metadata>): {
30
- x: number[];
31
- x2: number[];
32
- y: number[];
33
- y2: number[];
31
+ x: Vec2;
32
+ x2: Vec2;
33
+ y: Vec2;
34
+ y2: Vec2;
34
35
  };
35
36
  export declare function compute_stacked_offsets<Metadata = Record<string, unknown>>(internal_series: readonly NumericBarSeries<Metadata>[], mode: BarMode): number[][];
36
37
  export interface GroupInfo {
@@ -113,7 +113,8 @@ export function compute_bar_auto_ranges(opts) {
113
113
  const x_auto_range = category_count > 0
114
114
  ? [-0.5, category_count - 0.5]
115
115
  : calc_x_range(visible_series.filter((srs) => (srs.x_axis ?? `x1`) === `x1`), opts.x_range, opts.x_scale_type, opts.x_is_time);
116
- const x2_auto_range = calc_x_range(opts.x2_series, opts.x2_range, opts.x2_scale_type, opts.x2_is_time);
116
+ const { x2_series, x2_range, x2_scale_type, x2_is_time } = opts;
117
+ const x2_auto_range = calc_x_range(x2_series, x2_range, x2_scale_type, x2_is_time);
117
118
  const y1_range = calc_y_range(opts.y1_series, opts.y_range, opts.y_scale_type);
118
119
  const y2_auto_range = calc_y_range(opts.y2_series, opts.y2_range, opts.y2_scale_type);
119
120
  // Map data ranges to axis ranges depending on orientation