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
@@ -0,0 +1,101 @@
1
+ export type FillBoundary = {
2
+ type: `series`;
3
+ series_idx: number;
4
+ } | {
5
+ type: `series`;
6
+ series_id: string | number;
7
+ } | {
8
+ type: `constant`;
9
+ value: number;
10
+ } | {
11
+ type: `axis`;
12
+ axis: `x` | `x2` | `y` | `y2`;
13
+ value?: number;
14
+ } | {
15
+ type: `function`;
16
+ fn: (coord: number) => number;
17
+ } | {
18
+ type: `data`;
19
+ values: readonly number[];
20
+ x?: readonly number[];
21
+ } | number;
22
+ export interface FillGradient {
23
+ type: `linear` | `radial`;
24
+ angle?: number;
25
+ center?: {
26
+ x: number;
27
+ y: number;
28
+ };
29
+ stops: readonly [number, string][];
30
+ }
31
+ export interface FillEdgeStyle {
32
+ color?: string;
33
+ width?: number;
34
+ dash?: string;
35
+ opacity?: number;
36
+ }
37
+ export interface FillHoverStyle {
38
+ fill?: string;
39
+ fill_opacity?: number;
40
+ edge?: FillEdgeStyle;
41
+ cursor?: string;
42
+ scale?: number;
43
+ stroke?: string;
44
+ stroke_width?: number;
45
+ }
46
+ export interface FillHandlerEvent {
47
+ event: MouseEvent | KeyboardEvent;
48
+ region_idx: number;
49
+ region_id?: string | number;
50
+ x: number;
51
+ y: number;
52
+ px: number;
53
+ py: number;
54
+ label?: string;
55
+ metadata?: Record<string, unknown>;
56
+ }
57
+ export type LayerZIndex = `below-grid` | `below-lines` | `below-points` | `above-all`;
58
+ export declare const FILL_CURVE_TYPES: readonly ["linear", "monotoneX", "monotoneY", "step", "stepBefore", "stepAfter", "basis", "cardinal", "catmullRom", "natural"];
59
+ export type FillCurveType = (typeof FILL_CURVE_TYPES)[number];
60
+ export interface FillRegion {
61
+ id?: string | number;
62
+ label?: string;
63
+ upper: FillBoundary;
64
+ lower: FillBoundary;
65
+ x_range?: [number | null, number | null];
66
+ y_range?: [number | null, number | null];
67
+ where?: (x: number, y_upper: number, y_lower: number) => boolean;
68
+ fill?: string | FillGradient;
69
+ fill_opacity?: number;
70
+ edge_upper?: FillEdgeStyle;
71
+ edge_lower?: FillEdgeStyle;
72
+ curve?: FillCurveType;
73
+ step_position?: number;
74
+ z_index?: LayerZIndex;
75
+ visible?: boolean;
76
+ hover_style?: FillHoverStyle;
77
+ on_click?: (event: FillHandlerEvent) => void;
78
+ on_hover?: (event: FillHandlerEvent | null) => void;
79
+ show_in_legend?: boolean;
80
+ legend_group?: string;
81
+ metadata?: Record<string, unknown>;
82
+ }
83
+ export interface ErrorBand {
84
+ series: {
85
+ type: `series`;
86
+ series_idx: number;
87
+ } | {
88
+ type: `series`;
89
+ series_id: string | number;
90
+ };
91
+ error: number | readonly number[] | {
92
+ upper: number | readonly number[];
93
+ lower: number | readonly number[];
94
+ };
95
+ fill?: string;
96
+ fill_opacity?: number;
97
+ edge_style?: FillEdgeStyle;
98
+ id?: string | number;
99
+ label?: string;
100
+ show_in_legend?: boolean;
101
+ }
@@ -0,0 +1,15 @@
1
+ // Fill-region and error-band types for 2D plots (shaded areas between boundaries).
2
+ // Self-contained leaf module re-exported via $lib/plot/core/types.
3
+ // Curve types supported for fill path generation (matching d3-shape curves)
4
+ export const FILL_CURVE_TYPES = [
5
+ `linear`,
6
+ `monotoneX`,
7
+ `monotoneY`,
8
+ `step`,
9
+ `stepBefore`,
10
+ `stepAfter`,
11
+ `basis`,
12
+ `cardinal`,
13
+ `catmullRom`,
14
+ `natural`,
15
+ ];
@@ -0,0 +1,87 @@
1
+ import type { Point3D, Vec2, Vec3 } from '../../../math';
2
+ import type { AxisConfig, ControlsConfig, DataSeries, DisplayConfig, HandlerProps, Point, PointStyle, StyleOverrides } from './';
3
+ export interface ScatterPoint3D<Metadata = Record<string, unknown>> extends Point<Metadata> {
4
+ z: number;
5
+ }
6
+ export interface DataSeries3D<Metadata = Record<string, unknown>> extends Omit<DataSeries<Metadata>, `y_axis` | `filtered_data`> {
7
+ z: readonly number[];
8
+ filtered_data?: InternalPoint3D<Metadata>[];
9
+ }
10
+ export interface InternalPoint3D<Metadata = Record<string, unknown>> extends ScatterPoint3D<Metadata> {
11
+ series_idx: number;
12
+ point_idx: number;
13
+ color_value?: number | null;
14
+ size_value?: number | null;
15
+ point_style?: PointStyle;
16
+ }
17
+ export type SurfaceType = `grid` | `parametric` | `triangulated`;
18
+ export interface Surface3DConfig {
19
+ id?: string | number;
20
+ type: SurfaceType;
21
+ x_range?: Vec2;
22
+ y_range?: Vec2;
23
+ resolution?: number | Vec2;
24
+ z_fn?: (x: number, y: number) => number;
25
+ u_range?: Vec2;
26
+ v_range?: Vec2;
27
+ parametric_fn?: (u: number, v: number) => Point3D;
28
+ points?: Point3D[];
29
+ triangles?: Vec3[];
30
+ color?: string;
31
+ color_fn?: (x: number, y: number, z: number) => string;
32
+ opacity?: number;
33
+ wireframe?: boolean;
34
+ wireframe_color?: string;
35
+ wireframe_width?: number;
36
+ visible?: boolean;
37
+ double_sided?: boolean;
38
+ }
39
+ export interface AxisConfig3D extends AxisConfig {
40
+ show_plane?: boolean;
41
+ plane_opacity?: number;
42
+ }
43
+ export interface DisplayConfig3D extends DisplayConfig {
44
+ z_grid?: boolean;
45
+ z_zero_line?: boolean;
46
+ show_axes?: boolean;
47
+ show_axis_labels?: boolean;
48
+ show_bounding_box?: boolean;
49
+ show_grid?: boolean;
50
+ projections?: {
51
+ xy?: boolean;
52
+ xz?: boolean;
53
+ yz?: boolean;
54
+ };
55
+ projection_opacity?: number;
56
+ projection_scale?: number;
57
+ }
58
+ export interface Scatter3DHandlerProps<Metadata = Record<string, unknown>> extends Omit<HandlerProps<Metadata>, `x_axis` | `x2_axis` | `y_axis` | `y2_axis`> {
59
+ z: number;
60
+ x_axis: AxisConfig3D;
61
+ y_axis: AxisConfig3D;
62
+ z_axis: AxisConfig3D;
63
+ x_formatted: string;
64
+ y_formatted: string;
65
+ z_formatted: string;
66
+ color_value?: number | null;
67
+ }
68
+ export type Scatter3DHandlerEvent<Metadata = Record<string, unknown>> = Scatter3DHandlerProps<Metadata> & {
69
+ event?: MouseEvent;
70
+ point: InternalPoint3D<Metadata>;
71
+ };
72
+ export type CameraProjection3D = `perspective` | `orthographic`;
73
+ export interface PlotConfig3D {
74
+ x_axis?: AxisConfig3D;
75
+ y_axis?: AxisConfig3D;
76
+ z_axis?: AxisConfig3D;
77
+ display?: DisplayConfig3D;
78
+ }
79
+ export interface StyleOverrides3D extends StyleOverrides {
80
+ point?: StyleOverrides[`point`] & {
81
+ sphere_segments?: number;
82
+ };
83
+ }
84
+ export interface ControlsConfig3D extends ControlsConfig {
85
+ show_camera_controls?: boolean;
86
+ show_surface_controls?: boolean;
87
+ }
@@ -0,0 +1,4 @@
1
+ // 3D plot types (scatter points, surfaces, axes, handlers) extending the 2D vocabulary.
2
+ // Imports the 2D core types from the barrel and is re-exported by it; nothing in core depends on
3
+ // these, so that re-export cycle is type-only (erased at build, hence harmless).
4
+ export {};
@@ -0,0 +1,140 @@
1
+ import type { Vec3 } from '../../../math';
2
+ import type { LayerZIndex } from './fills';
3
+ export interface RefLineStyle {
4
+ color?: string;
5
+ width?: number;
6
+ dash?: string;
7
+ opacity?: number;
8
+ }
9
+ export interface RefLineAnnotation {
10
+ text: string;
11
+ position?: `start` | `center` | `end`;
12
+ side?: `above` | `below` | `left` | `right`;
13
+ offset?: {
14
+ x?: number;
15
+ y?: number;
16
+ };
17
+ gap?: number;
18
+ edge_padding?: number;
19
+ font_size?: string;
20
+ font_family?: string;
21
+ color?: string;
22
+ background?: string;
23
+ padding?: number;
24
+ rotate?: boolean;
25
+ }
26
+ export interface RefLineEvent {
27
+ event: MouseEvent | KeyboardEvent | FocusEvent;
28
+ line_idx: number;
29
+ line_id?: string | number;
30
+ type: RefLine[`type`];
31
+ label?: string;
32
+ metadata?: Record<string, unknown>;
33
+ }
34
+ export interface RefLineBase {
35
+ id?: string | number;
36
+ x_span?: [number | null, number | null];
37
+ y_span?: [number | null, number | null];
38
+ coord_mode?: `data` | `relative`;
39
+ x_axis?: `x1` | `x2`;
40
+ y_axis?: `y1` | `y2`;
41
+ style?: RefLineStyle;
42
+ annotation?: RefLineAnnotation;
43
+ z_index?: LayerZIndex;
44
+ visible?: boolean;
45
+ hover_style?: RefLineStyle;
46
+ on_click?: (event: RefLineEvent) => void;
47
+ on_hover?: (event: RefLineEvent | null) => void;
48
+ show_in_legend?: boolean;
49
+ label?: string;
50
+ legend_group?: string;
51
+ metadata?: Record<string, unknown>;
52
+ }
53
+ export type RefLineValue = number | Date | string;
54
+ export type RefLine = RefLineBase & ({
55
+ type: `horizontal`;
56
+ y: RefLineValue;
57
+ } | {
58
+ type: `vertical`;
59
+ x: RefLineValue;
60
+ } | {
61
+ type: `diagonal`;
62
+ slope: number;
63
+ intercept: number;
64
+ } | {
65
+ type: `segment`;
66
+ p1: [RefLineValue, RefLineValue];
67
+ p2: [RefLineValue, RefLineValue];
68
+ } | {
69
+ type: `line`;
70
+ p1: [RefLineValue, RefLineValue];
71
+ p2: [RefLineValue, RefLineValue];
72
+ });
73
+ export declare const REF_LINE_STYLE_DEFAULTS: Required<RefLineStyle>;
74
+ type Ref3DBase = Omit<RefLineBase, `coord_mode` | `x_axis` | `y_axis` | `style` | `hover_style` | `annotation` | `on_click` | `on_hover`> & {
75
+ z_span?: [number | null, number | null];
76
+ };
77
+ export interface RefLine3DBase extends Ref3DBase {
78
+ style?: RefLineStyle;
79
+ hover_style?: RefLineStyle;
80
+ annotation?: RefLineAnnotation;
81
+ on_click?: (event: {
82
+ line_idx: number;
83
+ line_id?: string | number;
84
+ }) => void;
85
+ on_hover?: (event: {
86
+ line_idx: number;
87
+ line_id?: string | number;
88
+ } | null) => void;
89
+ }
90
+ export type RefLine3D = RefLine3DBase & ({
91
+ type: `x-axis`;
92
+ y: number;
93
+ z: number;
94
+ } | {
95
+ type: `y-axis`;
96
+ x: number;
97
+ z: number;
98
+ } | {
99
+ type: `z-axis`;
100
+ x: number;
101
+ y: number;
102
+ } | {
103
+ type: `segment`;
104
+ p1: Vec3;
105
+ p2: Vec3;
106
+ } | {
107
+ type: `line`;
108
+ p1: Vec3;
109
+ p2: Vec3;
110
+ });
111
+ export interface RefPlaneStyle {
112
+ color?: string;
113
+ opacity?: number;
114
+ wireframe?: boolean;
115
+ wireframe_color?: string;
116
+ double_sided?: boolean;
117
+ }
118
+ export interface RefPlaneBase extends Ref3DBase {
119
+ style?: RefPlaneStyle;
120
+ }
121
+ export type RefPlane = RefPlaneBase & ({
122
+ type: `xy`;
123
+ z: number;
124
+ } | {
125
+ type: `xz`;
126
+ y: number;
127
+ } | {
128
+ type: `yz`;
129
+ x: number;
130
+ } | {
131
+ type: `normal`;
132
+ normal: Vec3;
133
+ point: Vec3;
134
+ } | {
135
+ type: `points`;
136
+ p1: Vec3;
137
+ p2: Vec3;
138
+ p3: Vec3;
139
+ });
140
+ export {};
@@ -0,0 +1,9 @@
1
+ // Reference-line and reference-plane types for 2D and 3D plots.
2
+ // Depends only on LayerZIndex (from ./fills) and math vectors; re-exported via $lib/plot/core/types.
3
+ // Default style values for reference lines
4
+ export const REF_LINE_STYLE_DEFAULTS = {
5
+ color: `currentColor`,
6
+ width: 1,
7
+ dash: ``,
8
+ opacity: 1,
9
+ };