matterviz 0.4.0 → 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 (527) 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 +132 -219
  7. package/dist/brillouin/BrillouinZone.svelte.d.ts +9 -20
  8. package/dist/brillouin/BrillouinZoneControls.svelte +3 -6
  9. package/dist/brillouin/BrillouinZoneExportPane.svelte +47 -96
  10. package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +1 -1
  11. package/dist/brillouin/BrillouinZoneInfoPane.svelte +15 -42
  12. package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +2 -3
  13. package/dist/brillouin/BrillouinZoneScene.svelte +63 -230
  14. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +3 -23
  15. package/dist/brillouin/ReciprocalVectors.svelte +39 -0
  16. package/dist/brillouin/ReciprocalVectors.svelte.d.ts +9 -0
  17. package/dist/brillouin/compute.d.ts +2 -0
  18. package/dist/brillouin/compute.js +80 -77
  19. package/dist/brillouin/geometry.d.ts +8 -0
  20. package/dist/brillouin/geometry.js +57 -0
  21. package/dist/brillouin/index.d.ts +2 -0
  22. package/dist/brillouin/index.js +2 -0
  23. package/dist/brillouin/types.d.ts +2 -2
  24. package/dist/chempot-diagram/ChemPotDiagram.svelte +33 -38
  25. package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +1 -1
  26. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +143 -246
  27. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +4 -1
  28. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +652 -976
  29. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +7 -1
  30. package/dist/chempot-diagram/async-compute.svelte.js +1 -1
  31. package/dist/chempot-diagram/color.d.ts +3 -6
  32. package/dist/chempot-diagram/color.js +5 -5
  33. package/dist/chempot-diagram/compute.d.ts +3 -3
  34. package/dist/chempot-diagram/compute.js +3 -1
  35. package/dist/chempot-diagram/controls-state.svelte.d.ts +10 -0
  36. package/dist/chempot-diagram/controls-state.svelte.js +42 -0
  37. package/dist/chempot-diagram/export.d.ts +47 -0
  38. package/dist/chempot-diagram/export.js +133 -0
  39. package/dist/chempot-diagram/index.d.ts +1 -0
  40. package/dist/chempot-diagram/index.js +1 -0
  41. package/dist/chempot-diagram/pointer.d.ts +0 -10
  42. package/dist/chempot-diagram/pointer.js +4 -4
  43. package/dist/chempot-diagram/types.d.ts +3 -3
  44. package/dist/colors/index.d.ts +0 -4
  45. package/dist/colors/index.js +21 -22
  46. package/dist/composition/BarChart.svelte +37 -31
  47. package/dist/composition/BubbleChart.svelte +17 -17
  48. package/dist/composition/Composition.svelte +7 -11
  49. package/dist/composition/Formula.svelte +18 -25
  50. package/dist/composition/FormulaFilter.svelte +96 -98
  51. package/dist/composition/PieChart.svelte +60 -46
  52. package/dist/composition/chem-sys.js +3 -2
  53. package/dist/composition/format.js +4 -3
  54. package/dist/composition/index.d.ts +2 -0
  55. package/dist/composition/index.js +14 -0
  56. package/dist/composition/parse.d.ts +2 -3
  57. package/dist/composition/parse.js +27 -28
  58. package/dist/constants.js +11 -9
  59. package/dist/controls.d.ts +1 -0
  60. package/dist/controls.js +0 -1
  61. package/dist/convex-hull/ConvexHull.svelte +20 -25
  62. package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -4
  63. package/dist/convex-hull/ConvexHull2D.svelte +176 -256
  64. package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
  65. package/dist/convex-hull/ConvexHull3D.svelte +269 -804
  66. package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
  67. package/dist/convex-hull/ConvexHull4D.svelte +236 -755
  68. package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
  69. package/dist/convex-hull/ConvexHullChrome.svelte +264 -0
  70. package/dist/convex-hull/ConvexHullChrome.svelte.d.ts +30 -0
  71. package/dist/convex-hull/ConvexHullControls.svelte +128 -49
  72. package/dist/convex-hull/ConvexHullControls.svelte.d.ts +7 -6
  73. package/dist/convex-hull/ConvexHullInfoPane.svelte +18 -5
  74. package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +6 -5
  75. package/dist/convex-hull/ConvexHullStats.svelte +210 -351
  76. package/dist/convex-hull/ConvexHullStats.svelte.d.ts +3 -1
  77. package/dist/convex-hull/ConvexHullTooltip.svelte +16 -14
  78. package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +2 -1
  79. package/dist/convex-hull/GasPressureControls.svelte +5 -12
  80. package/dist/convex-hull/StructurePopup.svelte +17 -21
  81. package/dist/convex-hull/StructurePopup.svelte.d.ts +2 -0
  82. package/dist/convex-hull/TemperatureSlider.svelte +4 -10
  83. package/dist/convex-hull/barycentric-coords.d.ts +2 -4
  84. package/dist/convex-hull/barycentric-coords.js +6 -33
  85. package/dist/convex-hull/canvas-interactions.svelte.d.ts +79 -0
  86. package/dist/convex-hull/canvas-interactions.svelte.js +279 -0
  87. package/dist/convex-hull/helpers.d.ts +47 -17
  88. package/dist/convex-hull/helpers.js +186 -101
  89. package/dist/convex-hull/hull-state.svelte.d.ts +44 -0
  90. package/dist/convex-hull/hull-state.svelte.js +124 -0
  91. package/dist/convex-hull/index.d.ts +9 -7
  92. package/dist/convex-hull/index.js +7 -2
  93. package/dist/convex-hull/thermodynamics.js +109 -937
  94. package/dist/convex-hull/types.d.ts +12 -4
  95. package/dist/convex-hull/types.js +12 -0
  96. package/dist/coordination/CoordinationBarPlot.svelte +41 -43
  97. package/dist/coordination/CoordinationBarPlot.svelte.d.ts +1 -1
  98. package/dist/coordination/calc-coordination.d.ts +1 -1
  99. package/dist/coordination/calc-coordination.js +28 -25
  100. package/dist/element/BohrAtom.svelte +6 -8
  101. package/dist/element/ElementHeading.svelte +4 -1
  102. package/dist/element/ElementPhoto.svelte +11 -9
  103. package/dist/element/ElementStats.svelte +12 -10
  104. package/dist/element/ElementTile.svelte +24 -29
  105. package/dist/element/ElementTile.svelte.d.ts +1 -1
  106. package/dist/element/Nucleus.svelte +4 -2
  107. package/dist/element/data.d.ts +1 -2
  108. package/dist/element/helpers.d.ts +4 -0
  109. package/dist/element/helpers.js +18 -0
  110. package/dist/element/index.d.ts +1 -0
  111. package/dist/element/index.js +3 -0
  112. package/dist/feedback/DragOverlay.svelte +5 -3
  113. package/dist/feedback/DragOverlay.svelte.d.ts +2 -1
  114. package/dist/feedback/StatusMessage.svelte +20 -7
  115. package/dist/fermi-surface/FermiSlice.svelte +21 -18
  116. package/dist/fermi-surface/FermiSurface.svelte +78 -165
  117. package/dist/fermi-surface/FermiSurface.svelte.d.ts +9 -20
  118. package/dist/fermi-surface/FermiSurfaceControls.svelte +6 -20
  119. package/dist/fermi-surface/FermiSurfaceScene.svelte +93 -272
  120. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +3 -23
  121. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +9 -6
  122. package/dist/fermi-surface/compute.js +14 -13
  123. package/dist/fermi-surface/export.js +4 -15
  124. package/dist/fermi-surface/index.d.ts +0 -1
  125. package/dist/fermi-surface/index.js +0 -1
  126. package/dist/fermi-surface/parse.d.ts +1 -1
  127. package/dist/fermi-surface/parse.js +84 -97
  128. package/dist/fermi-surface/types.d.ts +2 -2
  129. package/dist/heatmap-matrix/HeatmapMatrix.svelte +161 -185
  130. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +6 -5
  131. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +12 -9
  132. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +5 -5
  133. package/dist/heatmap-matrix/index.d.ts +8 -2
  134. package/dist/icons.d.ts +4 -0
  135. package/dist/icons.js +4 -0
  136. package/dist/index.d.ts +1 -0
  137. package/dist/index.js +1 -0
  138. package/dist/io/ExportPane.svelte +170 -0
  139. package/dist/io/ExportPane.svelte.d.ts +17 -0
  140. package/dist/io/decompress.d.ts +2 -1
  141. package/dist/io/decompress.js +22 -36
  142. package/dist/io/export.d.ts +9 -1
  143. package/dist/io/export.js +37 -29
  144. package/dist/io/fetch.d.ts +2 -4
  145. package/dist/io/fetch.js +0 -11
  146. package/dist/io/file-drop.d.ts +7 -0
  147. package/dist/io/file-drop.js +13 -0
  148. package/dist/io/index.d.ts +1 -0
  149. package/dist/io/index.js +3 -0
  150. package/dist/io/is-binary.d.ts +9 -0
  151. package/dist/io/is-binary.js +45 -1
  152. package/dist/io/types.d.ts +13 -0
  153. package/dist/io/url-drop.js +13 -25
  154. package/dist/isosurface/Isosurface.svelte +17 -23
  155. package/dist/isosurface/IsosurfaceControls.svelte +37 -42
  156. package/dist/isosurface/parse-vaspwave.d.ts +3 -0
  157. package/dist/isosurface/parse-vaspwave.js +138 -0
  158. package/dist/isosurface/parse.js +50 -48
  159. package/dist/labels.d.ts +6 -2
  160. package/dist/labels.js +44 -14
  161. package/dist/layout/FullscreenButton.svelte +34 -0
  162. package/dist/layout/FullscreenButton.svelte.d.ts +10 -0
  163. package/dist/layout/FullscreenToggle.svelte +12 -12
  164. package/dist/layout/InfoCard.svelte +7 -18
  165. package/dist/layout/InfoTag.svelte +1 -3
  166. package/dist/layout/NumberRangeInput.svelte +46 -0
  167. package/dist/layout/NumberRangeInput.svelte.d.ts +12 -0
  168. package/dist/layout/PropertyFilter.svelte +2 -6
  169. package/dist/layout/SettingsSection.svelte +21 -17
  170. package/dist/layout/SubpageGrid.svelte +3 -1
  171. package/dist/layout/ViewerChrome.svelte +115 -0
  172. package/dist/layout/ViewerChrome.svelte.d.ts +18 -0
  173. package/dist/layout/fullscreen.d.ts +4 -0
  174. package/dist/layout/fullscreen.js +3 -5
  175. package/dist/layout/fullscreen.svelte.d.ts +8 -0
  176. package/dist/layout/fullscreen.svelte.js +36 -0
  177. package/dist/layout/index.d.ts +4 -0
  178. package/dist/layout/index.js +4 -0
  179. package/dist/layout/json-tree/JsonNode.svelte +8 -11
  180. package/dist/layout/json-tree/JsonTree.svelte +53 -77
  181. package/dist/layout/json-tree/JsonValue.svelte +7 -15
  182. package/dist/layout/json-tree/utils.js +14 -23
  183. package/dist/math.d.ts +9 -3
  184. package/dist/math.js +37 -21
  185. package/dist/overlays/ContextMenu.svelte +4 -2
  186. package/dist/overlays/CopyButton.svelte +11 -5
  187. package/dist/overlays/DragControlTab.svelte +6 -1
  188. package/dist/overlays/DraggablePane.svelte +81 -26
  189. package/dist/overlays/DraggablePane.svelte.d.ts +1 -0
  190. package/dist/overlays/GlassChip.svelte +30 -0
  191. package/dist/overlays/GlassChip.svelte.d.ts +8 -0
  192. package/dist/overlays/InfoPaneCards.svelte +11 -23
  193. package/dist/overlays/index.d.ts +11 -0
  194. package/dist/overlays/index.js +26 -0
  195. package/dist/overlays/portal.d.ts +2 -0
  196. package/dist/overlays/portal.js +14 -0
  197. package/dist/periodic-table/PeriodicTable.svelte +115 -146
  198. package/dist/periodic-table/PeriodicTable.svelte.d.ts +5 -3
  199. package/dist/periodic-table/PeriodicTableControls.svelte +11 -63
  200. package/dist/periodic-table/TableInset.svelte +9 -4
  201. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +50 -71
  202. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -8
  203. package/dist/phase-diagram/PhaseDiagramControls.svelte +73 -96
  204. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +4 -3
  205. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +4 -2
  206. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +2 -3
  207. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +49 -134
  208. package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +3 -4
  209. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +54 -58
  210. package/dist/phase-diagram/TdbInfoPanel.svelte +21 -15
  211. package/dist/phase-diagram/build-diagram.js +3 -3
  212. package/dist/phase-diagram/colors.js +1 -1
  213. package/dist/phase-diagram/diagram-input.d.ts +1 -2
  214. package/dist/phase-diagram/parse.d.ts +2 -1
  215. package/dist/phase-diagram/parse.js +15 -15
  216. package/dist/phase-diagram/svg-to-diagram.js +21 -15
  217. package/dist/phase-diagram/utils.js +2 -3
  218. package/dist/plot/bar/BarPlot.svelte +494 -692
  219. package/dist/plot/bar/BarPlot.svelte.d.ts +9 -15
  220. package/dist/plot/bar/BarPlotControls.svelte +1 -3
  221. package/dist/plot/bar/BarPlotControls.svelte.d.ts +5 -7
  222. package/dist/plot/bar/SpacegroupBarPlot.svelte +31 -37
  223. package/dist/plot/bar/data.d.ts +5 -4
  224. package/dist/plot/bar/data.js +2 -1
  225. package/dist/plot/box/BoxPlot.svelte +361 -439
  226. package/dist/plot/box/BoxPlot.svelte.d.ts +6 -3
  227. package/dist/plot/box/BoxPlotControls.svelte.d.ts +1 -1
  228. package/dist/plot/box/Violin.svelte.d.ts +2 -1
  229. package/dist/plot/box/box-plot.d.ts +3 -2
  230. package/dist/plot/box/box-plot.js +6 -3
  231. package/dist/plot/box/kde.d.ts +2 -1
  232. package/dist/plot/box/kde.js +4 -4
  233. package/dist/plot/core/auto-place.d.ts +1 -1
  234. package/dist/plot/core/auto-place.js +5 -2
  235. package/dist/plot/core/axis-utils.d.ts +12 -7
  236. package/dist/plot/core/axis-utils.js +48 -48
  237. package/dist/plot/core/components/AxisLabel.svelte +82 -20
  238. package/dist/plot/core/components/AxisLabel.svelte.d.ts +1 -0
  239. package/dist/plot/core/components/ColorBar.svelte +106 -111
  240. package/dist/plot/core/components/ColorBar.svelte.d.ts +5 -4
  241. package/dist/plot/core/components/ColorScaleSelect.svelte +1 -1
  242. package/dist/plot/core/components/FillArea.svelte +10 -17
  243. package/dist/plot/core/components/HierarchyControls.svelte +249 -0
  244. package/dist/plot/{sunburst/SunburstControls.svelte.d.ts → core/components/HierarchyControls.svelte.d.ts} +12 -8
  245. package/dist/plot/core/components/InteractiveAxisLabel.svelte +1 -1
  246. package/dist/plot/core/components/InteractiveAxisLabel.svelte.d.ts +1 -1
  247. package/dist/plot/core/components/Line.svelte +21 -11
  248. package/dist/plot/core/components/Line.svelte.d.ts +5 -2
  249. package/dist/plot/core/components/PlotAxis.svelte +42 -18
  250. package/dist/plot/core/components/PlotAxis.svelte.d.ts +2 -1
  251. package/dist/plot/core/components/PlotControls.svelte +65 -41
  252. package/dist/plot/core/components/PlotControls.svelte.d.ts +1 -1
  253. package/dist/plot/core/components/PlotLegend.svelte +31 -35
  254. package/dist/plot/core/components/PlotMarginals.svelte +616 -0
  255. package/dist/plot/core/components/PlotMarginals.svelte.d.ts +15 -0
  256. package/dist/plot/core/components/PlotTooltip.svelte +1 -1
  257. package/dist/plot/core/components/PortalSelect.svelte +4 -8
  258. package/dist/plot/core/components/ReferenceLine.svelte +27 -24
  259. package/dist/plot/core/components/ReferenceLine3D.svelte +56 -59
  260. package/dist/plot/core/components/ReferenceLine3D.svelte.d.ts +4 -4
  261. package/dist/plot/core/components/ReferencePlane.svelte +9 -10
  262. package/dist/plot/core/components/ReferencePlane.svelte.d.ts +4 -4
  263. package/dist/plot/core/components/ZeroLines.svelte +4 -8
  264. package/dist/plot/core/components/ZoomRect.svelte +1 -2
  265. package/dist/plot/core/components/index.d.ts +1 -0
  266. package/dist/plot/core/components/index.js +1 -0
  267. package/dist/plot/core/data-cleaning-signal.d.ts +46 -0
  268. package/dist/plot/core/data-cleaning-signal.js +467 -0
  269. package/dist/plot/core/data-cleaning.d.ts +2 -42
  270. package/dist/plot/core/data-cleaning.js +29 -476
  271. package/dist/plot/core/data-transform.js +9 -5
  272. package/dist/plot/core/fill-utils.d.ts +7 -4
  273. package/dist/plot/core/fill-utils.js +34 -9
  274. package/dist/plot/core/index.d.ts +1 -0
  275. package/dist/plot/core/index.js +1 -0
  276. package/dist/plot/core/interactions.d.ts +5 -1
  277. package/dist/plot/core/interactions.js +14 -2
  278. package/dist/plot/core/layout.d.ts +3 -1
  279. package/dist/plot/core/layout.js +22 -13
  280. package/dist/plot/core/marginals.d.ts +170 -0
  281. package/dist/plot/core/marginals.js +436 -0
  282. package/dist/plot/core/pan-zoom.svelte.d.ts +35 -0
  283. package/dist/plot/core/pan-zoom.svelte.js +221 -0
  284. package/dist/plot/core/placed-tween.svelte.d.ts +21 -0
  285. package/dist/plot/core/placed-tween.svelte.js +68 -0
  286. package/dist/plot/core/reference-line.d.ts +10 -10
  287. package/dist/plot/core/reference-line.js +7 -7
  288. package/dist/plot/core/scales.d.ts +40 -25
  289. package/dist/plot/core/scales.js +49 -21
  290. package/dist/plot/core/svg.d.ts +2 -1
  291. package/dist/plot/core/types/fills.d.ts +101 -0
  292. package/dist/plot/core/types/fills.js +15 -0
  293. package/dist/plot/core/types/plot-3d.d.ts +87 -0
  294. package/dist/plot/core/types/plot-3d.js +4 -0
  295. package/dist/plot/core/types/reference-lines.d.ts +140 -0
  296. package/dist/plot/core/types/reference-lines.js +9 -0
  297. package/dist/plot/core/types.d.ts +47 -331
  298. package/dist/plot/core/types.js +23 -20
  299. package/dist/plot/core/utils/hierarchy-chart.d.ts +51 -0
  300. package/dist/plot/core/utils/hierarchy-chart.js +179 -0
  301. package/dist/plot/core/utils/hierarchy-labels.d.ts +20 -0
  302. package/dist/plot/core/utils/hierarchy-labels.js +99 -0
  303. package/dist/plot/core/utils/label-placement.d.ts +1 -1
  304. package/dist/plot/core/utils/label-placement.js +5 -5
  305. package/dist/plot/core/utils.d.ts +2 -1
  306. package/dist/plot/histogram/Histogram.svelte +373 -631
  307. package/dist/plot/histogram/Histogram.svelte.d.ts +7 -7
  308. package/dist/plot/histogram/HistogramControls.svelte +30 -28
  309. package/dist/plot/histogram/HistogramControls.svelte.d.ts +1 -1
  310. package/dist/plot/histogram/histogram.d.ts +31 -0
  311. package/dist/plot/histogram/histogram.js +70 -0
  312. package/dist/plot/histogram/index.d.ts +1 -0
  313. package/dist/plot/histogram/index.js +1 -0
  314. package/dist/plot/index.d.ts +1 -0
  315. package/dist/plot/index.js +1 -0
  316. package/dist/plot/sankey/Sankey.svelte +79 -73
  317. package/dist/plot/sankey/Sankey.svelte.d.ts +3 -3
  318. package/dist/plot/sankey/SankeyControls.svelte +22 -16
  319. package/dist/plot/sankey/sankey.js +3 -1
  320. package/dist/plot/scatter/BinnedScatterPlot.svelte +264 -112
  321. package/dist/plot/scatter/BinnedScatterPlot.svelte.d.ts +11 -4
  322. package/dist/plot/scatter/ElementScatter.svelte +4 -1
  323. package/dist/plot/scatter/ScatterPlot.svelte +623 -821
  324. package/dist/plot/scatter/ScatterPlot.svelte.d.ts +9 -15
  325. package/dist/plot/scatter/ScatterPlotControls.svelte +18 -19
  326. package/dist/plot/scatter/ScatterPlotControls.svelte.d.ts +1 -1
  327. package/dist/plot/scatter/ScatterPoint.svelte +16 -9
  328. package/dist/plot/scatter/binned-scatter-types.d.ts +6 -12
  329. package/dist/plot/scatter/binned-scatter-types.js +6 -1
  330. package/dist/plot/scatter/index.d.ts +1 -1
  331. package/dist/plot/scatter/scatter-data.d.ts +1 -1
  332. package/dist/plot/scatter/scatter-data.js +8 -7
  333. package/dist/plot/scatter-3d/ScatterPlot3D.svelte +40 -60
  334. package/dist/plot/scatter-3d/ScatterPlot3D.svelte.d.ts +6 -14
  335. package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte +17 -15
  336. package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte.d.ts +5 -5
  337. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte +232 -234
  338. package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte.d.ts +5 -14
  339. package/dist/plot/scatter-3d/Surface3D.svelte +9 -17
  340. package/dist/plot/scatter-3d/Surface3D.svelte.d.ts +4 -3
  341. package/dist/plot/sunburst/Sunburst.svelte +256 -338
  342. package/dist/plot/sunburst/Sunburst.svelte.d.ts +4 -3
  343. package/dist/plot/sunburst/index.d.ts +1 -1
  344. package/dist/plot/sunburst/index.js +2 -1
  345. package/dist/plot/sunburst/render.d.ts +2 -2
  346. package/dist/plot/sunburst/render.js +47 -22
  347. package/dist/plot/sunburst/sunburst.d.ts +5 -1
  348. package/dist/plot/sunburst/sunburst.js +14 -4
  349. package/dist/plot/treemap/Treemap.svelte +907 -0
  350. package/dist/plot/treemap/Treemap.svelte.d.ts +84 -0
  351. package/dist/plot/treemap/index.d.ts +3 -0
  352. package/dist/plot/treemap/index.js +4 -0
  353. package/dist/plot/treemap/treemap.d.ts +26 -0
  354. package/dist/plot/treemap/treemap.js +99 -0
  355. package/dist/rdf/RdfPlot.svelte +22 -26
  356. package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
  357. package/dist/rdf/calc-rdf.js +4 -8
  358. package/dist/sanitize.js +14 -3
  359. package/dist/scene/SceneCamera.svelte +62 -0
  360. package/dist/scene/SceneCamera.svelte.d.ts +19 -0
  361. package/dist/scene/bind-renderer.svelte.d.ts +2 -0
  362. package/dist/scene/bind-renderer.svelte.js +22 -0
  363. package/dist/scene/index.d.ts +4 -0
  364. package/dist/scene/index.js +5 -0
  365. package/dist/scene/props.js +52 -0
  366. package/dist/scene/types.d.ts +26 -0
  367. package/dist/scene/types.js +1 -0
  368. package/dist/settings.d.ts +33 -11
  369. package/dist/settings.js +136 -51
  370. package/dist/spectral/Bands.svelte +231 -237
  371. package/dist/spectral/Bands.svelte.d.ts +3 -2
  372. package/dist/spectral/BandsAndDos.svelte +29 -29
  373. package/dist/spectral/BrillouinBandsDos.svelte +21 -29
  374. package/dist/spectral/Dos.svelte +75 -77
  375. package/dist/spectral/Dos.svelte.d.ts +2 -1
  376. package/dist/spectral/helpers.d.ts +9 -9
  377. package/dist/spectral/helpers.js +66 -70
  378. package/dist/state.svelte.d.ts +0 -7
  379. package/dist/state.svelte.js +5 -24
  380. package/dist/structure/Arrow.svelte +6 -21
  381. package/dist/structure/ArrowInstances.svelte +160 -0
  382. package/dist/structure/ArrowInstances.svelte.d.ts +16 -0
  383. package/dist/structure/AtomLegend.svelte +115 -75
  384. package/dist/structure/AtomLegend.svelte.d.ts +1 -1
  385. package/dist/structure/Bond.svelte +31 -23
  386. package/dist/structure/CanvasTooltip.svelte +16 -3
  387. package/dist/structure/CellSelect.svelte +22 -29
  388. package/dist/structure/CellSelect.svelte.d.ts +2 -1
  389. package/dist/structure/Cylinder.svelte +24 -40
  390. package/dist/structure/InstancedAtoms.svelte +114 -0
  391. package/dist/structure/InstancedAtoms.svelte.d.ts +15 -0
  392. package/dist/structure/Lattice.svelte +85 -149
  393. package/dist/structure/SiteLabels.svelte +122 -0
  394. package/dist/structure/SiteLabels.svelte.d.ts +18 -0
  395. package/dist/structure/Structure.svelte +725 -735
  396. package/dist/structure/Structure.svelte.d.ts +8 -16
  397. package/dist/structure/StructureCarousel.svelte +630 -0
  398. package/dist/structure/StructureCarousel.svelte.d.ts +19 -0
  399. package/dist/structure/StructureControls.svelte +298 -325
  400. package/dist/structure/StructureControls.svelte.d.ts +5 -3
  401. package/dist/structure/StructureExportPane.svelte +62 -168
  402. package/dist/structure/StructureExportPane.svelte.d.ts +4 -5
  403. package/dist/structure/StructureInfoPane.svelte +77 -69
  404. package/dist/structure/StructureInfoPane.svelte.d.ts +6 -6
  405. package/dist/structure/StructureScene.svelte +758 -600
  406. package/dist/structure/StructureScene.svelte.d.ts +24 -20
  407. package/dist/structure/StructureViewport.svelte +386 -0
  408. package/dist/structure/StructureViewport.svelte.d.ts +63 -0
  409. package/dist/structure/atom-label-placement.d.ts +18 -0
  410. package/dist/structure/atom-label-placement.js +115 -0
  411. package/dist/structure/atom-properties.d.ts +3 -1
  412. package/dist/structure/atom-properties.js +115 -54
  413. package/dist/structure/bond-order-perception.js +2 -4
  414. package/dist/structure/bonding.d.ts +12 -2
  415. package/dist/structure/bonding.js +172 -73
  416. package/dist/structure/edit-history.d.ts +6 -0
  417. package/dist/structure/edit-history.js +27 -0
  418. package/dist/structure/export.d.ts +25 -4
  419. package/dist/structure/export.js +103 -153
  420. package/dist/structure/format-detect.d.ts +1 -0
  421. package/dist/structure/format-detect.js +22 -0
  422. package/dist/structure/geometry.d.ts +9 -0
  423. package/dist/structure/geometry.js +27 -0
  424. package/dist/structure/index.d.ts +18 -1
  425. package/dist/structure/index.js +15 -2
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  430. package/dist/structure/partial-occupancy.d.ts +0 -1
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  432. package/dist/structure/pbc.d.ts +1 -1
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  434. package/dist/structure/polyhedra.d.ts +40 -0
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  436. package/dist/structure/site.d.ts +4 -0
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  442. package/dist/symmetry/SymmetryElementControls.svelte.d.ts +9 -0
  443. package/dist/symmetry/SymmetryElements.svelte +350 -0
  444. package/dist/symmetry/SymmetryElements.svelte.d.ts +24 -0
  445. package/dist/symmetry/SymmetryStats.svelte +142 -49
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  447. package/dist/symmetry/WyckoffTable.svelte.d.ts +3 -0
  448. package/dist/symmetry/cell-transform.js +8 -14
  449. package/dist/symmetry/index.d.ts +15 -4
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  455. package/dist/symmetry/wyckoff-db.d.ts +9 -0
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  457. package/dist/table/HeatmapTable.svelte +1104 -378
  458. package/dist/table/HeatmapTable.svelte.d.ts +12 -2
  459. package/dist/table/ToggleMenu.svelte +5 -12
  460. package/dist/table/index.d.ts +21 -6
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  463. package/dist/theme/index.d.ts +1 -5
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  465. package/dist/theme/themes.mjs +14 -7
  466. package/dist/tooltip/KCoords.svelte +4 -1
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  468. package/dist/trajectory/Trajectory.svelte +556 -352
  469. package/dist/trajectory/Trajectory.svelte.d.ts +10 -22
  470. package/dist/trajectory/TrajectoryError.svelte +11 -8
  471. package/dist/trajectory/TrajectoryExportPane.svelte +28 -54
  472. package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +4 -5
  473. package/dist/trajectory/TrajectoryInfoPane.svelte +88 -99
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  475. package/dist/trajectory/constants.js +6 -2
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  481. package/dist/trajectory/helpers.d.ts +12 -2
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  483. package/dist/trajectory/index.d.ts +1 -0
  484. package/dist/trajectory/index.js +3 -0
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  487. package/dist/trajectory/parse/diagnostics.d.ts +3 -0
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  489. package/dist/trajectory/parse/h5-utils.d.ts +13 -0
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  493. package/dist/trajectory/parse/index.d.ts +3 -4
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  500. package/dist/trajectory/parse/vaspout-electronic.d.ts +13 -0
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  508. package/dist/utils.d.ts +4 -0
  509. package/dist/utils.js +8 -1
  510. package/dist/xrd/XrdPlot.svelte +56 -85
  511. package/dist/xrd/broadening.d.ts +2 -1
  512. package/dist/xrd/broadening.js +2 -1
  513. package/dist/xrd/calc-xrd.js +8 -15
  514. package/dist/xrd/index.d.ts +2 -2
  515. package/dist/xrd/parse.d.ts +0 -1
  516. package/dist/xrd/parse.js +56 -73
  517. package/package.json +77 -36
  518. package/dist/api/mp.d.ts +0 -6
  519. package/dist/api/mp.js +0 -22
  520. package/dist/element/data.json +0 -11864
  521. package/dist/fermi-surface/marching-cubes.d.ts +0 -2
  522. package/dist/fermi-surface/marching-cubes.js +0 -2
  523. package/dist/plot/core/hover-lock.svelte.d.ts +0 -14
  524. package/dist/plot/core/hover-lock.svelte.js +0 -45
  525. package/dist/plot/sunburst/SunburstControls.svelte +0 -200
  526. package/dist/structure/label-placement.d.ts +0 -14
  527. package/dist/structure/label-placement.js +0 -72
@@ -1,2 +0,0 @@
1
- export { compute_vertex_normals, marching_cubes } from '../marching-cubes';
2
- export type { MarchingCubesOptions, MarchingCubesResult } from '../marching-cubes';
@@ -1,2 +0,0 @@
1
- // Re-export from shared location for backward compatibility
2
- export { compute_vertex_normals, marching_cubes } from '../marching-cubes';
@@ -1,14 +0,0 @@
1
- export declare const HOVER_DEBOUNCE_MS = 300;
2
- interface ReactiveBoolean {
3
- readonly current: boolean;
4
- }
5
- export declare function create_hover_lock(): {
6
- is_locked: ReactiveBoolean;
7
- set_locked: (locked: boolean) => void;
8
- cleanup: () => void;
9
- };
10
- export declare function create_dimension_tracker(): {
11
- has_changed: (width: number, height: number) => boolean;
12
- update: (width: number, height: number) => void;
13
- };
14
- export {};
@@ -1,45 +0,0 @@
1
- // Shared utility for hover lock behavior on plot elements (legend, colorbar)
2
- // Prevents element repositioning while user is hovering, with debounced release
3
- export const HOVER_DEBOUNCE_MS = 300;
4
- // Creates hover lock state and handlers for a plot element
5
- export function create_hover_lock() {
6
- let is_locked = $state(false);
7
- let timeout = null;
8
- // Stable object reference with getter - Svelte tracks the getter read
9
- const locked_ref = {
10
- get current() {
11
- return is_locked;
12
- },
13
- };
14
- return {
15
- is_locked: locked_ref,
16
- set_locked(locked) {
17
- // Always clear any pending unlock so rapid calls don't queue multiple timeouts
18
- if (timeout)
19
- clearTimeout(timeout);
20
- if (locked)
21
- is_locked = true;
22
- else
23
- timeout = setTimeout(() => (is_locked = false), HOVER_DEBOUNCE_MS);
24
- },
25
- // Clear pending timeout to prevent state updates after unmount
26
- cleanup() {
27
- if (timeout)
28
- clearTimeout(timeout);
29
- },
30
- };
31
- }
32
- // Tracks previous dimensions for resize detection
33
- export function create_dimension_tracker() {
34
- let prev = $state(null);
35
- return {
36
- has_changed(width, height) {
37
- if (!prev)
38
- return true;
39
- return prev.width !== width || prev.height !== height;
40
- },
41
- update(width, height) {
42
- prev = { width, height };
43
- },
44
- };
45
- }
@@ -1,200 +0,0 @@
1
- <script lang="ts">
2
- import { SettingsSection } from '../../layout'
3
- import type {
4
- SunburstLabelRotation,
5
- SunburstLabelText,
6
- SunburstShape,
7
- SunburstValueMode,
8
- } from '..'
9
- import { DEFAULTS, SETTINGS_CONFIG } from '../../settings'
10
- import type { Snippet } from 'svelte'
11
- import type { HTMLAttributes } from 'svelte/elements'
12
- import ControlPane from '../core/components/ControlPane.svelte'
13
-
14
- let {
15
- show_controls = $bindable(true),
16
- controls_open = $bindable(false),
17
- shape = $bindable(DEFAULTS.sunburst.shape),
18
- value_mode = $bindable(DEFAULTS.sunburst.value_mode),
19
- max_depth = $bindable(DEFAULTS.sunburst.max_depth),
20
- inner_radius = $bindable(DEFAULTS.sunburst.inner_radius),
21
- pad_angle = $bindable(DEFAULTS.sunburst.pad_angle),
22
- min_fraction = $bindable(DEFAULTS.sunburst.min_fraction),
23
- show_labels = $bindable(DEFAULTS.sunburst.show_labels),
24
- label_rotation = $bindable(DEFAULTS.sunburst.label_rotation),
25
- label_text = $bindable(DEFAULTS.sunburst.label_text),
26
- zoom_on_click = $bindable(DEFAULTS.sunburst.zoom_on_click),
27
- show_breadcrumbs = $bindable(DEFAULTS.sunburst.show_breadcrumbs),
28
- export_buttons = true,
29
- on_export,
30
- toggle_props = {},
31
- pane_props = {},
32
- children,
33
- }: {
34
- show_controls?: boolean
35
- controls_open?: boolean
36
- shape?: SunburstShape
37
- value_mode?: SunburstValueMode
38
- max_depth?: number
39
- inner_radius?: number
40
- pad_angle?: number
41
- min_fraction?: number
42
- show_labels?: boolean
43
- label_rotation?: SunburstLabelRotation
44
- label_text?: SunburstLabelText
45
- zoom_on_click?: boolean
46
- show_breadcrumbs?: boolean
47
- export_buttons?: boolean // show SVG/PNG download buttons in the pane
48
- on_export?: (format: `svg` | `png`) => void
49
- toggle_props?: HTMLAttributes<HTMLButtonElement>
50
- pane_props?: HTMLAttributes<HTMLDivElement>
51
- children?: Snippet
52
- } = $props()
53
- </script>
54
-
55
- {#if show_controls}
56
- <!-- snippets live at the template top level (not inside the components below) so
57
- they're locally renderable rather than treated as ControlPane/SettingsSection props -->
58
- {#snippet options(enum_map: Record<string, string>)}
59
- {#each Object.entries(enum_map) as [value, label] (value)}
60
- <option {value}>{label}</option>
61
- {/each}
62
- {/snippet}
63
- {#snippet num_row(
64
- text: string,
65
- [min, max, step]: [number, number, number],
66
- get: () => number,
67
- set: (val: number) => void,
68
- )}
69
- <label style="flex: 1 1 100%">
70
- {text}
71
- <input type="range" {min} {max} {step} bind:value={get, set} />
72
- <input type="number" {min} {max} {step} bind:value={get, set} />
73
- </label>
74
- {/snippet}
75
- {#snippet check_row(text: string, get: () => boolean, set: (val: boolean) => void)}
76
- <label style="flex: 1 1 100%">
77
- <input type="checkbox" bind:checked={get, set} />
78
- {text}
79
- </label>
80
- {/snippet}
81
- <ControlPane bind:controls_open controls_class="sunburst" {toggle_props} {pane_props}>
82
- {@render children?.()}
83
- <SettingsSection
84
- title="Sunburst"
85
- current_values={{
86
- shape,
87
- value_mode,
88
- max_depth,
89
- inner_radius,
90
- pad_angle,
91
- min_fraction,
92
- show_labels,
93
- label_rotation,
94
- label_text,
95
- zoom_on_click,
96
- show_breadcrumbs,
97
- }}
98
- on_reset={() => {
99
- ;({
100
- shape,
101
- value_mode,
102
- max_depth,
103
- inner_radius,
104
- pad_angle,
105
- min_fraction,
106
- show_labels,
107
- label_rotation,
108
- label_text,
109
- zoom_on_click,
110
- show_breadcrumbs,
111
- } = DEFAULTS.sunburst)
112
- }}
113
- style="display: flex; flex-wrap: wrap; gap: 2ex"
114
- >
115
- <!-- select options come from the settings schema so labels/values have a
116
- single source of truth -->
117
- <label style="flex: 1">
118
- Shape:
119
- <select bind:value={shape}>
120
- {@render options(SETTINGS_CONFIG.sunburst.shape.enum ?? {})}
121
- </select>
122
- </label>
123
- <label style="flex: 1">
124
- Value mode:
125
- <select bind:value={value_mode}>
126
- {@render options(SETTINGS_CONFIG.sunburst.value_mode.enum ?? {})}
127
- </select>
128
- </label>
129
- {#if shape === `sunburst`}
130
- <!-- icicle labels are always horizontal; inner radius/pad angle are polar-only -->
131
- <label style="flex: 1">
132
- Labels:
133
- <select bind:value={label_rotation}>
134
- {@render options(SETTINGS_CONFIG.sunburst.label_rotation.enum ?? {})}
135
- </select>
136
- </label>
137
- {/if}
138
- <label style="flex: 1">
139
- Label text:
140
- <select bind:value={label_text}>
141
- {@render options(SETTINGS_CONFIG.sunburst.label_text.enum ?? {})}
142
- </select>
143
- </label>
144
- {@render num_row(`Max depth (0 = all):`, [0, 10, 1], () => max_depth, (val) =>
145
- max_depth = val)}
146
- {#if shape === `sunburst`}
147
- {@render num_row(`Inner radius:`, [0, 0.8, 0.05], () => inner_radius, (val) =>
148
- inner_radius = val)}
149
- {@render num_row(`Pad angle (°):`, [0, 4, 0.1], () => pad_angle, (val) =>
150
- pad_angle = val)}
151
- {/if}
152
- {@render num_row(
153
- `Group slices below (fraction of total):`,
154
- [0, 0.2, 0.005],
155
- () => min_fraction,
156
- (val) => min_fraction = val,
157
- )}
158
- {@render check_row(`Show arc labels`, () => show_labels, (val) =>
159
- show_labels = val)}
160
- {@render check_row(`Zoom on click`, () => zoom_on_click, (val) =>
161
- zoom_on_click = val)}
162
- {@render check_row(`Show breadcrumbs when zoomed`, () => show_breadcrumbs, (val) =>
163
- show_breadcrumbs = val)}
164
- </SettingsSection>
165
- {#if export_buttons && on_export}
166
- <div class="export-row">
167
- Export:
168
- {#each [`svg`, `png`] as const as fmt (fmt)}
169
- <button
170
- type="button"
171
- class="export-btn"
172
- aria-label="Download {fmt.toUpperCase()}"
173
- onclick={() => on_export?.(fmt)}
174
- >{fmt.toUpperCase()}</button>
175
- {/each}
176
- </div>
177
- {/if}
178
- </ControlPane>
179
- {/if}
180
-
181
- <style>
182
- .export-row {
183
- display: flex;
184
- align-items: center;
185
- gap: 6px;
186
- margin-top: 6px;
187
- font-size: 0.85em;
188
- }
189
- .export-btn {
190
- background: var(--sunburst-btn-bg, rgba(128, 128, 128, 0.15));
191
- color: inherit;
192
- border: none;
193
- border-radius: 3pt;
194
- padding: 1px 6px;
195
- cursor: pointer;
196
- }
197
- .export-btn:hover {
198
- background: var(--sunburst-btn-hover-bg, rgba(128, 128, 128, 0.35));
199
- }
200
- </style>
@@ -1,14 +0,0 @@
1
- import type { Vec3 } from '../math';
2
- import type { Camera, Object3D } from 'three';
3
- export declare const LABEL_OFFSET_EPS = 1e-9;
4
- type LabelOffsetSource = Vec3 | (() => Vec3);
5
- export declare const choose_site_label_offset: (bond_directions: Vec3[], base_offset: Vec3) => Vec3;
6
- export declare const label_screen_position: (atom_position: Vec3, label_offset: Vec3, visual_radius: number, label_screen_margin: number, label_camera: Camera, size: {
7
- width: number;
8
- height: number;
9
- }) => [number, number];
10
- export declare const make_label_position_calculator: (_atom_position: Vec3, label_offset: LabelOffsetSource, visual_radius: number, label_screen_margin: number) => (object: Object3D, label_camera: Camera, size: {
11
- width: number;
12
- height: number;
13
- }) => [number, number];
14
- export {};
@@ -1,72 +0,0 @@
1
- import * as math from '../math';
2
- import { Vector3 } from 'three';
3
- export const LABEL_OFFSET_EPS = 1e-9;
4
- const LABEL_OFFSET_DIRECTIONS = [
5
- [0, -1, 0],
6
- [1, 0, 0],
7
- [-1, 0, 0],
8
- [1, 1, 0],
9
- [-1, 1, 0],
10
- [1, -1, 0],
11
- [-1, -1, 0],
12
- [0, 0, 1],
13
- [0, 0, -1],
14
- ];
15
- const label_direction_score = (direction, bond_directions, preferred_direction) => {
16
- let max_bond_alignment = 0;
17
- for (const bond_direction of bond_directions) {
18
- max_bond_alignment = Math.max(max_bond_alignment, Math.max(0, math.dot(direction, bond_direction)));
19
- }
20
- const preferred_bonus = Math.max(0, math.dot(direction, preferred_direction)) * 0.05;
21
- const screen_plane_bonus = Math.abs(direction[2]) < LABEL_OFFSET_EPS ? 0.02 : 0;
22
- return -max_bond_alignment + preferred_bonus + screen_plane_bonus;
23
- };
24
- export const choose_site_label_offset = (bond_directions, base_offset) => {
25
- const offset_length = Math.hypot(...base_offset);
26
- if (offset_length < LABEL_OFFSET_EPS || bond_directions.length === 0) {
27
- return base_offset;
28
- }
29
- const preferred_direction = math.normalize_vec(base_offset, [0, 1, 0]);
30
- const repulsion_direction = math.normalize_vec(bond_directions.reduce((offset_sum, bond_direction) => math.subtract(offset_sum, bond_direction), [0, 0, 0]), preferred_direction);
31
- let best_direction = preferred_direction;
32
- let best_score = -Infinity;
33
- for (const candidate_direction of [
34
- preferred_direction,
35
- repulsion_direction,
36
- ...LABEL_OFFSET_DIRECTIONS,
37
- ]) {
38
- const direction = math.normalize_vec(candidate_direction, preferred_direction);
39
- const score = label_direction_score(direction, bond_directions, preferred_direction);
40
- if (score <= best_score + LABEL_OFFSET_EPS)
41
- continue;
42
- best_score = score;
43
- best_direction = direction;
44
- }
45
- return math.scale(best_direction, offset_length);
46
- };
47
- const project_to_screen = (position, label_camera, size) => {
48
- const projected = new Vector3(...position).project(label_camera);
49
- return [
50
- (projected.x * size.width) / 2 + size.width / 2,
51
- (-projected.y * size.height) / 2 + size.height / 2,
52
- ];
53
- };
54
- export const label_screen_position = (atom_position, label_offset, visual_radius, label_screen_margin, label_camera, size) => {
55
- const atom_screen = project_to_screen(atom_position, label_camera, size);
56
- const offset_screen = project_to_screen(math.add(atom_position, label_offset), label_camera, size);
57
- const offset_x = offset_screen[0] - atom_screen[0];
58
- const offset_y = offset_screen[1] - atom_screen[1];
59
- const offset_length = Math.hypot(offset_x, offset_y);
60
- const direction_x = offset_length > LABEL_OFFSET_EPS ? offset_x / offset_length : 0;
61
- const direction_y = offset_length > LABEL_OFFSET_EPS ? offset_y / offset_length : label_offset[1] >= 0 ? -1 : 1;
62
- const radius_direction = math.normalize_vec(label_offset, [0, 1, 0]);
63
- const radius_edge = math.add(atom_position, math.scale(radius_direction, visual_radius));
64
- const radius_screen = project_to_screen(radius_edge, label_camera, size);
65
- const atom_screen_radius = Math.hypot(radius_screen[0] - atom_screen[0], radius_screen[1] - atom_screen[1]);
66
- const screen_gap = atom_screen_radius + label_screen_margin;
67
- return [atom_screen[0] + direction_x * screen_gap, atom_screen[1] + direction_y * screen_gap];
68
- };
69
- export const make_label_position_calculator = (_atom_position, label_offset, visual_radius, label_screen_margin) => (object, label_camera, size) => {
70
- const world_position = object.getWorldPosition(new Vector3());
71
- return label_screen_position([world_position.x, world_position.y, world_position.z], typeof label_offset === `function` ? label_offset() : label_offset, visual_radius, label_screen_margin, label_camera, size);
72
- };