matterviz 0.3.1 → 0.3.3

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (358) hide show
  1. package/dist/EmptyState.svelte +10 -2
  2. package/dist/FilePicker.svelte +154 -96
  3. package/dist/Icon.svelte +20 -14
  4. package/dist/MillerIndexInput.svelte +27 -21
  5. package/dist/api/optimade.js +6 -6
  6. package/dist/app.css +216 -178
  7. package/dist/brillouin/BrillouinZone.svelte +299 -198
  8. package/dist/brillouin/BrillouinZone.svelte.d.ts +1 -1
  9. package/dist/brillouin/BrillouinZoneControls.svelte +32 -5
  10. package/dist/brillouin/BrillouinZoneExportPane.svelte +74 -55
  11. package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +1 -1
  12. package/dist/brillouin/BrillouinZoneInfoPane.svelte +99 -68
  13. package/dist/brillouin/BrillouinZoneScene.svelte +277 -165
  14. package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
  15. package/dist/brillouin/BrillouinZoneTooltip.svelte +17 -7
  16. package/dist/brillouin/compute.js +11 -6
  17. package/dist/chempot-diagram/ChemPotDiagram.svelte +327 -0
  18. package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
  19. package/dist/chempot-diagram/ChemPotDiagram2D.svelte +847 -0
  20. package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
  21. package/dist/chempot-diagram/ChemPotDiagram3D.svelte +3194 -0
  22. package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
  23. package/dist/chempot-diagram/ChemPotScene3D.svelte +11 -0
  24. package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
  25. package/dist/chempot-diagram/async-compute.svelte.d.ts +3 -0
  26. package/dist/chempot-diagram/async-compute.svelte.js +77 -0
  27. package/dist/chempot-diagram/chempot-worker.d.ts +1 -0
  28. package/dist/chempot-diagram/chempot-worker.js +11 -0
  29. package/dist/chempot-diagram/color.d.ts +10 -0
  30. package/dist/chempot-diagram/color.js +32 -0
  31. package/dist/chempot-diagram/compute.d.ts +48 -0
  32. package/dist/chempot-diagram/compute.js +812 -0
  33. package/dist/chempot-diagram/index.d.ts +6 -0
  34. package/dist/chempot-diagram/index.js +6 -0
  35. package/dist/chempot-diagram/pointer.d.ts +16 -0
  36. package/dist/chempot-diagram/pointer.js +40 -0
  37. package/dist/chempot-diagram/temperature.d.ts +15 -0
  38. package/dist/chempot-diagram/temperature.js +36 -0
  39. package/dist/chempot-diagram/types.d.ts +86 -0
  40. package/dist/chempot-diagram/types.js +28 -0
  41. package/dist/colors/index.d.ts +3 -1
  42. package/dist/colors/index.js +9 -3
  43. package/dist/composition/BarChart.svelte +141 -77
  44. package/dist/composition/BubbleChart.svelte +107 -52
  45. package/dist/composition/Composition.svelte +100 -79
  46. package/dist/composition/Formula.svelte +108 -62
  47. package/dist/composition/FormulaFilter.svelte +973 -353
  48. package/dist/composition/FormulaFilter.svelte.d.ts +35 -1
  49. package/dist/composition/PieChart.svelte +199 -99
  50. package/dist/composition/PieChart.svelte.d.ts +1 -1
  51. package/dist/composition/format.d.ts +5 -0
  52. package/dist/composition/format.js +20 -3
  53. package/dist/composition/parse.js +14 -9
  54. package/dist/convex-hull/ConvexHull.svelte +93 -38
  55. package/dist/convex-hull/ConvexHull2D.svelte +551 -393
  56. package/dist/convex-hull/ConvexHull3D.svelte +1303 -825
  57. package/dist/convex-hull/ConvexHull4D.svelte +1012 -686
  58. package/dist/convex-hull/ConvexHullControls.svelte +115 -28
  59. package/dist/convex-hull/ConvexHullInfoPane.svelte +29 -3
  60. package/dist/convex-hull/ConvexHullStats.svelte +821 -249
  61. package/dist/convex-hull/ConvexHullStats.svelte.d.ts +6 -1
  62. package/dist/convex-hull/ConvexHullTooltip.svelte +41 -16
  63. package/dist/convex-hull/GasPressureControls.svelte +104 -61
  64. package/dist/convex-hull/StructurePopup.svelte +25 -4
  65. package/dist/convex-hull/TemperatureSlider.svelte +45 -25
  66. package/dist/convex-hull/barycentric-coords.js +13 -7
  67. package/dist/convex-hull/demo-temperature.d.ts +6 -0
  68. package/dist/convex-hull/demo-temperature.js +40 -0
  69. package/dist/convex-hull/gas-thermodynamics.js +17 -12
  70. package/dist/convex-hull/helpers.d.ts +10 -1
  71. package/dist/convex-hull/helpers.js +79 -38
  72. package/dist/convex-hull/index.d.ts +1 -0
  73. package/dist/convex-hull/index.js +1 -0
  74. package/dist/convex-hull/thermodynamics.d.ts +8 -21
  75. package/dist/convex-hull/thermodynamics.js +163 -69
  76. package/dist/convex-hull/types.d.ts +12 -12
  77. package/dist/convex-hull/types.js +0 -12
  78. package/dist/coordination/CoordinationBarPlot.svelte +232 -176
  79. package/dist/element/BohrAtom.svelte +56 -13
  80. package/dist/element/ElementHeading.svelte +7 -2
  81. package/dist/element/ElementPhoto.svelte +15 -9
  82. package/dist/element/ElementStats.svelte +10 -4
  83. package/dist/element/ElementTile.svelte +137 -73
  84. package/dist/element/Nucleus.svelte +39 -11
  85. package/dist/element/data.js +2 -14
  86. package/dist/element/data.json.gz +0 -0
  87. package/dist/element/types.d.ts +1 -0
  88. package/dist/feedback/ClickFeedback.svelte +16 -5
  89. package/dist/feedback/DragOverlay.svelte +10 -2
  90. package/dist/feedback/Spinner.svelte +4 -2
  91. package/dist/feedback/StatusMessage.svelte +8 -2
  92. package/dist/fermi-surface/FermiSlice.svelte +118 -88
  93. package/dist/fermi-surface/FermiSurface.svelte +336 -239
  94. package/dist/fermi-surface/FermiSurface.svelte.d.ts +1 -1
  95. package/dist/fermi-surface/FermiSurfaceControls.svelte +113 -46
  96. package/dist/fermi-surface/FermiSurfaceScene.svelte +536 -343
  97. package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
  98. package/dist/fermi-surface/FermiSurfaceTooltip.svelte +14 -5
  99. package/dist/fermi-surface/compute.js +16 -20
  100. package/dist/fermi-surface/parse.js +37 -33
  101. package/dist/fermi-surface/symmetry.js +2 -7
  102. package/dist/fermi-surface/types.d.ts +3 -5
  103. package/dist/heatmap-matrix/HeatmapMatrix.svelte +1527 -0
  104. package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
  105. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  106. package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +30 -0
  107. package/dist/heatmap-matrix/index.d.ts +53 -0
  108. package/dist/heatmap-matrix/index.js +100 -0
  109. package/dist/heatmap-matrix/shared.d.ts +2 -0
  110. package/dist/heatmap-matrix/shared.js +4 -0
  111. package/dist/icons.d.ts +111 -0
  112. package/dist/icons.js +158 -0
  113. package/dist/index.d.ts +5 -2
  114. package/dist/index.js +5 -2
  115. package/dist/io/decompress.js +1 -1
  116. package/dist/io/export.d.ts +3 -0
  117. package/dist/io/export.js +138 -140
  118. package/dist/io/file-drop.d.ts +7 -0
  119. package/dist/io/file-drop.js +43 -0
  120. package/dist/io/index.d.ts +2 -2
  121. package/dist/io/index.js +2 -112
  122. package/dist/io/is-binary.js +2 -3
  123. package/dist/io/types.d.ts +1 -0
  124. package/dist/io/url-drop.d.ts +2 -0
  125. package/dist/io/url-drop.js +117 -0
  126. package/dist/isosurface/Isosurface.svelte +220 -110
  127. package/dist/isosurface/IsosurfaceControls.svelte +65 -28
  128. package/dist/isosurface/parse.js +104 -56
  129. package/dist/isosurface/slice.d.ts +2 -1
  130. package/dist/isosurface/slice.js +8 -13
  131. package/dist/isosurface/types.d.ts +14 -1
  132. package/dist/isosurface/types.js +152 -5
  133. package/dist/labels.d.ts +2 -1
  134. package/dist/labels.js +12 -8
  135. package/dist/layout/FullscreenToggle.svelte +11 -2
  136. package/dist/layout/InfoCard.svelte +38 -6
  137. package/dist/layout/InfoTag.svelte +125 -94
  138. package/dist/layout/PropertyFilter.svelte +82 -37
  139. package/dist/layout/SettingsSection.svelte +85 -55
  140. package/dist/layout/SubpageGrid.svelte +82 -0
  141. package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
  142. package/dist/layout/index.d.ts +1 -0
  143. package/dist/layout/index.js +1 -0
  144. package/dist/layout/json-tree/JsonNode.svelte +266 -223
  145. package/dist/layout/json-tree/JsonTree.svelte +516 -429
  146. package/dist/layout/json-tree/JsonTree.svelte.d.ts +1 -1
  147. package/dist/layout/json-tree/JsonValue.svelte +281 -173
  148. package/dist/layout/json-tree/types.d.ts +10 -2
  149. package/dist/layout/json-tree/utils.d.ts +2 -0
  150. package/dist/layout/json-tree/utils.js +37 -2
  151. package/dist/marching-cubes.js +25 -2
  152. package/dist/math.d.ts +20 -17
  153. package/dist/math.js +474 -57
  154. package/dist/overlays/ContextMenu.svelte +66 -40
  155. package/dist/overlays/DraggablePane.svelte +331 -154
  156. package/dist/overlays/DraggablePane.svelte.d.ts +2 -0
  157. package/dist/periodic-table/PeriodicTable.svelte +278 -145
  158. package/dist/periodic-table/PeriodicTableControls.svelte +178 -128
  159. package/dist/periodic-table/PropertySelect.svelte +25 -7
  160. package/dist/periodic-table/TableInset.svelte +8 -3
  161. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +559 -267
  162. package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -2
  163. package/dist/phase-diagram/PhaseDiagramControls.svelte +131 -51
  164. package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +3 -2
  165. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
  166. package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
  167. package/dist/phase-diagram/PhaseDiagramExportPane.svelte +160 -110
  168. package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +8 -1
  169. package/dist/phase-diagram/PhaseDiagramTooltip.svelte +217 -86
  170. package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +6 -3
  171. package/dist/phase-diagram/TdbInfoPanel.svelte +28 -4
  172. package/dist/phase-diagram/build-diagram.js +9 -9
  173. package/dist/phase-diagram/colors.js +1 -3
  174. package/dist/phase-diagram/index.d.ts +2 -0
  175. package/dist/phase-diagram/index.js +2 -0
  176. package/dist/phase-diagram/parse.js +10 -9
  177. package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
  178. package/dist/phase-diagram/svg-to-diagram.js +869 -0
  179. package/dist/phase-diagram/types.d.ts +10 -0
  180. package/dist/phase-diagram/utils.d.ts +8 -4
  181. package/dist/phase-diagram/utils.js +219 -74
  182. package/dist/plot/AxisLabel.svelte +51 -0
  183. package/dist/plot/AxisLabel.svelte.d.ts +16 -0
  184. package/dist/plot/BarPlot.svelte +1461 -768
  185. package/dist/plot/BarPlot.svelte.d.ts +3 -3
  186. package/dist/plot/BarPlotControls.svelte +33 -6
  187. package/dist/plot/BarPlotControls.svelte.d.ts +1 -1
  188. package/dist/plot/ColorBar.svelte +533 -383
  189. package/dist/plot/ColorBar.svelte.d.ts +1 -1
  190. package/dist/plot/ColorScaleSelect.svelte +28 -7
  191. package/dist/plot/ElementScatter.svelte +38 -16
  192. package/dist/plot/FillArea.svelte +152 -92
  193. package/dist/plot/Histogram.svelte +1162 -709
  194. package/dist/plot/Histogram.svelte.d.ts +1 -1
  195. package/dist/plot/HistogramControls.svelte +81 -18
  196. package/dist/plot/HistogramControls.svelte.d.ts +6 -2
  197. package/dist/plot/InteractiveAxisLabel.svelte +34 -11
  198. package/dist/plot/InteractiveAxisLabel.svelte.d.ts +1 -1
  199. package/dist/plot/Line.svelte +63 -28
  200. package/dist/plot/PlotControls.svelte +221 -96
  201. package/dist/plot/PlotControls.svelte.d.ts +1 -1
  202. package/dist/plot/PlotLegend.svelte +174 -91
  203. package/dist/plot/PlotTooltip.svelte +45 -6
  204. package/dist/plot/PortalSelect.svelte +175 -146
  205. package/dist/plot/ReferenceLine.svelte +77 -22
  206. package/dist/plot/ReferenceLine.svelte.d.ts +1 -0
  207. package/dist/plot/ReferenceLine3D.svelte +132 -107
  208. package/dist/plot/ReferencePlane.svelte +146 -123
  209. package/dist/plot/ScatterPlot.svelte +1880 -1156
  210. package/dist/plot/ScatterPlot.svelte.d.ts +3 -3
  211. package/dist/plot/ScatterPlot3D.svelte +256 -131
  212. package/dist/plot/ScatterPlot3D.svelte.d.ts +2 -2
  213. package/dist/plot/ScatterPlot3DControls.svelte +300 -297
  214. package/dist/plot/ScatterPlot3DControls.svelte.d.ts +2 -1
  215. package/dist/plot/ScatterPlot3DScene.svelte +608 -406
  216. package/dist/plot/ScatterPlot3DScene.svelte.d.ts +2 -2
  217. package/dist/plot/ScatterPlotControls.svelte +150 -70
  218. package/dist/plot/ScatterPlotControls.svelte.d.ts +1 -1
  219. package/dist/plot/ScatterPoint.svelte +98 -26
  220. package/dist/plot/ScatterPoint.svelte.d.ts +1 -0
  221. package/dist/plot/SpacegroupBarPlot.svelte +142 -85
  222. package/dist/plot/Surface3D.svelte +159 -108
  223. package/dist/plot/ZeroLines.svelte +96 -0
  224. package/dist/plot/ZeroLines.svelte.d.ts +32 -0
  225. package/dist/plot/ZoomRect.svelte +23 -0
  226. package/dist/plot/ZoomRect.svelte.d.ts +8 -0
  227. package/dist/plot/axis-utils.d.ts +1 -1
  228. package/dist/plot/axis-utils.js +1 -3
  229. package/dist/plot/data-cleaning.js +12 -28
  230. package/dist/plot/data-transform.js +2 -1
  231. package/dist/plot/fill-utils.js +2 -0
  232. package/dist/plot/index.d.ts +6 -2
  233. package/dist/plot/index.js +6 -2
  234. package/dist/plot/interactions.d.ts +8 -10
  235. package/dist/plot/interactions.js +2 -3
  236. package/dist/plot/layout.d.ts +11 -2
  237. package/dist/plot/layout.js +44 -17
  238. package/dist/plot/reference-line.d.ts +5 -22
  239. package/dist/plot/reference-line.js +12 -84
  240. package/dist/plot/scales.js +24 -36
  241. package/dist/plot/types.d.ts +53 -40
  242. package/dist/plot/types.js +12 -7
  243. package/dist/plot/utils/label-placement.d.ts +32 -15
  244. package/dist/plot/utils/label-placement.js +227 -63
  245. package/dist/plot/utils/series-visibility.js +2 -3
  246. package/dist/plot/utils.d.ts +1 -0
  247. package/dist/plot/utils.js +14 -0
  248. package/dist/rdf/RdfPlot.svelte +173 -132
  249. package/dist/rdf/calc-rdf.js +4 -5
  250. package/dist/sanitize.d.ts +4 -0
  251. package/dist/sanitize.js +107 -0
  252. package/dist/settings.d.ts +21 -6
  253. package/dist/settings.js +63 -19
  254. package/dist/spectral/Bands.svelte +963 -412
  255. package/dist/spectral/Bands.svelte.d.ts +22 -2
  256. package/dist/spectral/BandsAndDos.svelte +90 -49
  257. package/dist/spectral/BrillouinBandsDos.svelte +151 -93
  258. package/dist/spectral/Dos.svelte +389 -258
  259. package/dist/spectral/helpers.d.ts +23 -1
  260. package/dist/spectral/helpers.js +119 -51
  261. package/dist/spectral/types.d.ts +2 -0
  262. package/dist/state.svelte.d.ts +1 -1
  263. package/dist/state.svelte.js +3 -2
  264. package/dist/structure/Arrow.svelte +59 -20
  265. package/dist/structure/AtomLegend.svelte +231 -129
  266. package/dist/structure/AtomLegend.svelte.d.ts +1 -1
  267. package/dist/structure/Bond.svelte +73 -47
  268. package/dist/structure/CanvasTooltip.svelte +10 -2
  269. package/dist/structure/CellSelect.svelte +148 -51
  270. package/dist/structure/Cylinder.svelte +33 -17
  271. package/dist/structure/Lattice.svelte +88 -33
  272. package/dist/structure/Structure.svelte +1077 -821
  273. package/dist/structure/Structure.svelte.d.ts +1 -1
  274. package/dist/structure/StructureControls.svelte +373 -139
  275. package/dist/structure/StructureControls.svelte.d.ts +1 -1
  276. package/dist/structure/StructureExportPane.svelte +124 -89
  277. package/dist/structure/StructureExportPane.svelte.d.ts +1 -1
  278. package/dist/structure/StructureInfoPane.svelte +304 -231
  279. package/dist/structure/StructureScene.svelte +919 -445
  280. package/dist/structure/StructureScene.svelte.d.ts +16 -7
  281. package/dist/structure/atom-properties.d.ts +6 -2
  282. package/dist/structure/atom-properties.js +42 -29
  283. package/dist/structure/bonding.js +6 -7
  284. package/dist/structure/export.js +22 -34
  285. package/dist/structure/ferrox-wasm-types.d.ts +3 -2
  286. package/dist/structure/ferrox-wasm-types.js +0 -3
  287. package/dist/structure/ferrox-wasm.d.ts +3 -2
  288. package/dist/structure/ferrox-wasm.js +2 -3
  289. package/dist/structure/index.d.ts +16 -0
  290. package/dist/structure/index.js +88 -6
  291. package/dist/structure/measure.d.ts +2 -2
  292. package/dist/structure/measure.js +4 -44
  293. package/dist/structure/parse.js +130 -155
  294. package/dist/structure/partial-occupancy.d.ts +25 -0
  295. package/dist/structure/partial-occupancy.js +99 -0
  296. package/dist/structure/pbc.d.ts +1 -0
  297. package/dist/structure/pbc.js +16 -6
  298. package/dist/structure/supercell.d.ts +2 -2
  299. package/dist/structure/supercell.js +12 -22
  300. package/dist/structure/validation.js +5 -3
  301. package/dist/symmetry/SymmetryStats.svelte +94 -37
  302. package/dist/symmetry/WyckoffTable.svelte +42 -14
  303. package/dist/symmetry/cell-transform.js +5 -3
  304. package/dist/symmetry/index.d.ts +7 -4
  305. package/dist/symmetry/index.js +87 -21
  306. package/dist/symmetry/spacegroups.js +148 -148
  307. package/dist/table/HeatmapTable.svelte +1112 -516
  308. package/dist/table/HeatmapTable.svelte.d.ts +12 -1
  309. package/dist/table/ToggleMenu.svelte +125 -90
  310. package/dist/table/index.d.ts +2 -0
  311. package/dist/table/index.js +2 -4
  312. package/dist/theme/ThemeControl.svelte +21 -12
  313. package/dist/time.js +4 -1
  314. package/dist/tooltip/TooltipContent.svelte +33 -8
  315. package/dist/trajectory/Trajectory.svelte +889 -687
  316. package/dist/trajectory/TrajectoryError.svelte +14 -3
  317. package/dist/trajectory/TrajectoryExportPane.svelte +148 -90
  318. package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +1 -1
  319. package/dist/trajectory/TrajectoryInfoPane.svelte +272 -143
  320. package/dist/trajectory/constants.d.ts +6 -0
  321. package/dist/trajectory/constants.js +7 -0
  322. package/dist/trajectory/extract.js +13 -31
  323. package/dist/trajectory/format-detect.d.ts +9 -0
  324. package/dist/trajectory/format-detect.js +76 -0
  325. package/dist/trajectory/frame-reader.d.ts +17 -0
  326. package/dist/trajectory/frame-reader.js +332 -0
  327. package/dist/trajectory/helpers.d.ts +14 -0
  328. package/dist/trajectory/helpers.js +172 -0
  329. package/dist/trajectory/index.d.ts +1 -0
  330. package/dist/trajectory/index.js +23 -14
  331. package/dist/trajectory/parse/ase.d.ts +2 -0
  332. package/dist/trajectory/parse/ase.js +77 -0
  333. package/dist/trajectory/parse/hdf5.d.ts +2 -0
  334. package/dist/trajectory/parse/hdf5.js +129 -0
  335. package/dist/trajectory/parse/index.d.ts +12 -0
  336. package/dist/trajectory/parse/index.js +299 -0
  337. package/dist/trajectory/parse/lammps.d.ts +5 -0
  338. package/dist/trajectory/parse/lammps.js +179 -0
  339. package/dist/trajectory/parse/vasp.d.ts +2 -0
  340. package/dist/trajectory/parse/vasp.js +68 -0
  341. package/dist/trajectory/parse/xyz.d.ts +2 -0
  342. package/dist/trajectory/parse/xyz.js +110 -0
  343. package/dist/trajectory/plotting.js +13 -8
  344. package/dist/trajectory/types.d.ts +11 -0
  345. package/dist/trajectory/types.js +1 -0
  346. package/dist/utils.d.ts +3 -0
  347. package/dist/utils.js +17 -0
  348. package/dist/xrd/XrdPlot.svelte +337 -245
  349. package/dist/xrd/broadening.js +14 -9
  350. package/dist/xrd/calc-xrd.js +12 -19
  351. package/dist/xrd/parse.d.ts +1 -1
  352. package/dist/xrd/parse.js +17 -17
  353. package/package.json +103 -101
  354. package/readme.md +4 -4
  355. package/dist/trajectory/parse.d.ts +0 -42
  356. package/dist/trajectory/parse.js +0 -1267
  357. /package/dist/element/{data.json.d.ts → data.json.gz.d.ts} +0 -0
  358. /package/dist/theme/{themes.js → themes.mjs} +0 -0
package/dist/math.js CHANGED
@@ -1,7 +1,20 @@
1
+ // Generate all k-element combinations from an array.
2
+ export function combinations(arr, k) {
3
+ if (k === 0)
4
+ return [[]];
5
+ if (arr.length < k)
6
+ return [];
7
+ const [first, ...rest] = arr;
8
+ return [
9
+ ...combinations(rest, k - 1).map((combo) => [first, ...combo]),
10
+ ...combinations(rest, k),
11
+ ];
12
+ }
1
13
  export const LOG_EPS = 1e-9;
2
14
  export const EPS = 1e-10;
3
15
  export const RAD_TO_DEG = 180 / Math.PI;
4
16
  export const DEG_TO_RAD = Math.PI / 180;
17
+ const MAX_MIN_IMAGE_CANDIDATES = 100_000;
5
18
  export const to_degrees = (radians) => radians * RAD_TO_DEG;
6
19
  export const to_radians = (degrees) => degrees * DEG_TO_RAD;
7
20
  // Calculate all lattice parameters in a single efficient pass
@@ -32,21 +45,70 @@ export const euclidean_dist = (vec1, vec2) => {
32
45
  }
33
46
  return Math.hypot(...vec1.map((x, idx) => x - vec2[idx]));
34
47
  };
48
+ const vec3_norm_sq = (vec) => vec[0] ** 2 + vec[1] ** 2 + vec[2] ** 2;
49
+ // Exact minimum-image displacement for row-vector lattices.
50
+ // Rounded fractional wrapping is only approximate for highly skewed cells, so
51
+ // we use it as a starting guess and then search the small set of shifts that
52
+ // can still beat that Cartesian radius.
53
+ export function min_image_displacement(from, to, lattice_matrix, converters, pbc = [true, true, true]) {
54
+ const { cart_to_frac, frac_to_cart, reciprocal_axis_norms } = converters ?? create_lattice_converters(lattice_matrix);
55
+ const frac_from = cart_to_frac(from);
56
+ const frac_to = cart_to_frac(to);
57
+ const frac_diff = [
58
+ frac_to[0] - frac_from[0],
59
+ frac_to[1] - frac_from[1],
60
+ frac_to[2] - frac_from[2],
61
+ ];
62
+ const wrapped_frac_diff = [
63
+ pbc[0] ? frac_diff[0] - Math.round(frac_diff[0]) : frac_diff[0],
64
+ pbc[1] ? frac_diff[1] - Math.round(frac_diff[1]) : frac_diff[1],
65
+ pbc[2] ? frac_diff[2] - Math.round(frac_diff[2]) : frac_diff[2],
66
+ ];
67
+ let best_displacement = frac_to_cart(wrapped_frac_diff);
68
+ let best_dist_sq = vec3_norm_sq(best_displacement);
69
+ const search_radius = Math.sqrt(best_dist_sq) + EPS;
70
+ const candidate_shift_ranges = [0, 1, 2].map((axis_idx) => {
71
+ if (!pbc[axis_idx])
72
+ return [0, 0];
73
+ const axis_bound = reciprocal_axis_norms[axis_idx] * search_radius;
74
+ return [
75
+ Math.ceil(-frac_diff[axis_idx] - axis_bound),
76
+ Math.floor(-frac_diff[axis_idx] + axis_bound),
77
+ ];
78
+ });
79
+ let candidate_count = 1;
80
+ for (const [shift_min, shift_max] of candidate_shift_ranges) {
81
+ candidate_count *= shift_max - shift_min + 1;
82
+ if (candidate_count > MAX_MIN_IMAGE_CANDIDATES) {
83
+ throw new Error(`Minimum-image search would test >${MAX_MIN_IMAGE_CANDIDATES} candidates ` +
84
+ `for lattice ${JSON.stringify(lattice_matrix)}; reciprocal norms=` +
85
+ `${JSON.stringify(reciprocal_axis_norms)} ranges=${JSON.stringify(candidate_shift_ranges)}`);
86
+ }
87
+ }
88
+ const [[i_min, i_max], [j_min, j_max], [k_min, k_max]] = candidate_shift_ranges;
89
+ // Only test integer shifts that reciprocal-space bounds say could still win.
90
+ for (let ii = i_min; ii <= i_max; ii++) {
91
+ for (let jj = j_min; jj <= j_max; jj++) {
92
+ for (let kk = k_min; kk <= k_max; kk++) {
93
+ const candidate_frac_diff = [
94
+ frac_diff[0] + ii,
95
+ frac_diff[1] + jj,
96
+ frac_diff[2] + kk,
97
+ ];
98
+ const candidate_displacement = frac_to_cart(candidate_frac_diff);
99
+ const candidate_dist_sq = vec3_norm_sq(candidate_displacement);
100
+ if (candidate_dist_sq < best_dist_sq) {
101
+ best_dist_sq = candidate_dist_sq;
102
+ best_displacement = candidate_displacement;
103
+ }
104
+ }
105
+ }
106
+ }
107
+ return best_displacement;
108
+ }
35
109
  // Calculate the minimum distance between two points considering periodic boundary conditions.
36
- export function pbc_dist(pos1, // First position vector (Cartesian coordinates)
37
- pos2, // Second position vector (Cartesian coordinates)
38
- lattice_matrix, // 3x3 lattice matrix where each row is a lattice vector
39
- lattice_inv, // Optional pre-computed inverse matrix for optimization (since lattice is usually constant and repeatedly inverting matrix is expensive)
40
- pbc = [true, true, true]) {
41
- const inv_matrix = lattice_inv ?? matrix_inverse_3x3(lattice_matrix);
42
- // Convert Cartesian coordinates to fractional coordinates
43
- const [fx1, fy1, fz1] = mat3x3_vec3_multiply(inv_matrix, pos1);
44
- const [fx2, fy2, fz2] = mat3x3_vec3_multiply(inv_matrix, pos2);
45
- // Apply minimum image convention only for periodic axes
46
- const wrapped_frac_diff = [fx1 - fx2, fy1 - fy2, fz1 - fz2].map((diff, idx) => pbc[idx] ? diff - Math.round(diff) : diff);
47
- // Convert back to Cartesian coordinates
48
- const cart_diff = mat3x3_vec3_multiply(lattice_matrix, wrapped_frac_diff);
49
- return Math.hypot(...cart_diff);
110
+ export function pbc_dist(pos1, pos2, lattice_matrix, converters, pbc = [true, true, true]) {
111
+ return Math.hypot(...min_image_displacement(pos1, pos2, lattice_matrix, converters, pbc));
50
112
  }
51
113
  export function matrix_inverse_3x3(matrix) {
52
114
  const [[m11, m12, m13], [m21, m22, m23], [m31, m32, m33]] = matrix;
@@ -94,7 +156,7 @@ export function add(...vecs) {
94
156
  throw new Error(`All vectors must have the same length`);
95
157
  }
96
158
  }
97
- const result = new Array(length).fill(0);
159
+ const result = Array.from({ length }).fill(0);
98
160
  for (const vec of vecs) {
99
161
  for (let idx = 0; idx < length; idx++) {
100
162
  result[idx] += vec[idx];
@@ -130,16 +192,19 @@ function validate_matrix(mat, name) {
130
192
  return cols;
131
193
  }
132
194
  export function dot(vec1, vec2) {
195
+ const vec1_is_matrix = vec1.some((entry) => Array.isArray(entry));
196
+ const vec2_is_matrix = vec2.some((entry) => Array.isArray(entry));
133
197
  // Vector dot product
134
- if (!Array.isArray(vec1[0]) && !Array.isArray(vec2[0])) {
135
- const v1 = vec1;
136
- const v2 = vec2;
137
- if (v1.length !== v2.length)
198
+ if (!vec1_is_matrix && !vec2_is_matrix) {
199
+ const left_vec = vec1;
200
+ const right_vec = vec2;
201
+ if (left_vec.length !== right_vec.length) {
138
202
  throw new Error(`Vectors must be of same length`);
139
- return v1.reduce((sum, val, idx) => sum + val * v2[idx], 0);
203
+ }
204
+ return left_vec.reduce((sum, val, idx) => sum + val * right_vec[idx], 0);
140
205
  }
141
206
  // Matrix-vector multiplication
142
- if (Array.isArray(vec1[0]) && !Array.isArray(vec2[0])) {
207
+ if (vec1_is_matrix && !vec2_is_matrix) {
143
208
  const mat = vec1;
144
209
  const vec = vec2;
145
210
  const cols = validate_matrix(mat, `Matrix`);
@@ -149,7 +214,7 @@ export function dot(vec1, vec2) {
149
214
  return mat.map((row) => row.reduce((sum, val, idx) => sum + val * vec[idx], 0));
150
215
  }
151
216
  // Matrix-matrix multiplication
152
- if (Array.isArray(vec1[0]) && Array.isArray(vec2[0])) {
217
+ if (vec1_is_matrix && vec2_is_matrix) {
153
218
  const mat1 = vec1;
154
219
  const mat2 = vec2;
155
220
  const mat1_cols = validate_matrix(mat1, `First matrix`);
@@ -177,7 +242,11 @@ export function from_voigt(voigt) {
177
242
  throw new Error(`Expected 6-element Voigt vector, got ${voigt.length} elements`);
178
243
  }
179
244
  const [v1, v2, v3, v4, v5, v6] = voigt;
180
- return [[v1, v6, v5], [v6, v2, v4], [v5, v4, v3]];
245
+ return [
246
+ [v1, v6, v5],
247
+ [v6, v2, v4],
248
+ [v5, v4, v3],
249
+ ];
181
250
  }
182
251
  // Convert flat 9-element array to 3x3 tensor (row-major order)
183
252
  export function vec9_to_mat3x3(flat_array) {
@@ -185,7 +254,11 @@ export function vec9_to_mat3x3(flat_array) {
185
254
  throw new Error(`Expected 9-element array, got ${flat_array.length} elements`);
186
255
  }
187
256
  const [a1, a2, a3, a4, a5, a6, a7, a8, a9] = flat_array;
188
- return [[a1, a2, a3], [a4, a5, a6], [a7, a8, a9]];
257
+ return [
258
+ [a1, a2, a3],
259
+ [a4, a5, a6],
260
+ [a7, a8, a9],
261
+ ];
189
262
  }
190
263
  // Convert 3x3 tensor to flat 9-element array (row-major order)
191
264
  export function tensor_to_flat_array(tensor) {
@@ -201,6 +274,18 @@ export const transpose_3x3_matrix = (matrix) => [
201
274
  [matrix[0][1], matrix[1][1], matrix[2][1]],
202
275
  [matrix[0][2], matrix[1][2], matrix[2][2]],
203
276
  ];
277
+ // Scale each row of a 3x3 matrix by the corresponding element of a Vec3.
278
+ // Used to scale lattice vectors by supercell factors.
279
+ export function scale_lattice_matrix(orig_matrix, scaling_factors) {
280
+ const [nx, ny, nz] = scaling_factors;
281
+ const [a, b, c] = orig_matrix;
282
+ return [
283
+ [a[0] * nx, a[1] * nx, a[2] * nx],
284
+ [b[0] * ny, b[1] * ny, b[2] * ny],
285
+ [c[0] * nz, c[1] * nz, c[2] * nz],
286
+ ];
287
+ }
288
+ const create_cart_to_frac_matrix = (lattice) => matrix_inverse_3x3(transpose_3x3_matrix(lattice));
204
289
  // Curried fractional→Cartesian converter (caches transposed matrix)
205
290
  export const create_frac_to_cart = (lattice) => {
206
291
  const transposed = transpose_3x3_matrix(lattice);
@@ -208,8 +293,16 @@ export const create_frac_to_cart = (lattice) => {
208
293
  };
209
294
  // Curried Cartesian→fractional converter (caches inverse transpose)
210
295
  export const create_cart_to_frac = (lattice) => {
211
- const inv_transposed = matrix_inverse_3x3(transpose_3x3_matrix(lattice));
212
- return (cart) => mat3x3_vec3_multiply(inv_transposed, cart);
296
+ const cart_to_frac_mat = create_cart_to_frac_matrix(lattice);
297
+ return (cart) => mat3x3_vec3_multiply(cart_to_frac_mat, cart);
298
+ };
299
+ export const create_lattice_converters = (lattice) => {
300
+ const cart_to_frac_mat = create_cart_to_frac_matrix(lattice);
301
+ return {
302
+ cart_to_frac: (cart) => mat3x3_vec3_multiply(cart_to_frac_mat, cart),
303
+ frac_to_cart: create_frac_to_cart(lattice),
304
+ reciprocal_axis_norms: cart_to_frac_mat.map((row) => Math.hypot(...row)),
305
+ };
213
306
  };
214
307
  // Convert unit cell parameters to lattice matrix (crystallographic convention)
215
308
  export function cell_to_lattice_matrix(a, b, c, alpha, beta, gamma) {
@@ -222,11 +315,7 @@ export function cell_to_lattice_matrix(a, b, c, alpha, beta, gamma) {
222
315
  const cos_gamma = Math.cos(gamma_rad);
223
316
  const sin_gamma = Math.sin(gamma_rad);
224
317
  // Calculate volume factor for triclinic system
225
- const vol_factor = Math.sqrt(1 -
226
- cos_alpha ** 2 -
227
- cos_beta ** 2 -
228
- cos_gamma ** 2 +
229
- 2 * cos_alpha * cos_beta * cos_gamma);
318
+ const vol_factor = Math.sqrt(1 - cos_alpha ** 2 - cos_beta ** 2 - cos_gamma ** 2 + 2 * cos_alpha * cos_beta * cos_gamma);
230
319
  // Standard crystallographic lattice vectors
231
320
  const c_x = c * cos_beta;
232
321
  const c_y = (c * (cos_alpha - cos_beta * cos_gamma)) / sin_gamma;
@@ -241,7 +330,8 @@ export function det_3x3(matrix) {
241
330
  // |A| = a(ei − fh) − b(di − fg) + c(dh − eg)
242
331
  // where matrix = [[a, b, c], [d, e, f], [g, h, i]]
243
332
  const [[m00, m01, m02], [m10, m11, m12], [m20, m21, m22]] = matrix;
244
- return (m00 * (m11 * m22 - m12 * m21) - m01 * (m10 * m22 - m12 * m20) +
333
+ return (m00 * (m11 * m22 - m12 * m21) -
334
+ m01 * (m10 * m22 - m12 * m20) +
245
335
  m02 * (m10 * m21 - m11 * m20));
246
336
  }
247
337
  export function get_coefficient_of_variation(values) {
@@ -249,9 +339,7 @@ export function get_coefficient_of_variation(values) {
249
339
  return 0;
250
340
  const mean = values.reduce((sum, val) => sum + val, 0) / values.length;
251
341
  const variance = values.reduce((sum, val) => sum + (val - mean) ** 2, 0) / values.length;
252
- return Math.abs(mean) > 1e-10
253
- ? Math.sqrt(variance) / Math.abs(mean)
254
- : Math.sqrt(variance);
342
+ return Math.abs(mean) > 1e-10 ? Math.sqrt(variance) / Math.abs(mean) : Math.sqrt(variance);
255
343
  }
256
344
  // Compute 4x4 determinant (used for 4D barycentric coordinates)
257
345
  export function det_4x4(matrix) {
@@ -260,42 +348,38 @@ export function det_4x4(matrix) {
260
348
  const [b0, b1, b2, b3] = b_row;
261
349
  const [c0, c1, c2, c3] = c_row;
262
350
  const [d0, d1, d2, d3] = d_row;
263
- return (a0 *
264
- (b1 * (c2 * d3 - c3 * d2) - b2 * (c1 * d3 - c3 * d1) + b3 * (c1 * d2 - c2 * d1)) -
265
- a1 *
266
- (b0 * (c2 * d3 - c3 * d2) - b2 * (c0 * d3 - c3 * d0) + b3 * (c0 * d2 - c2 * d0)) +
267
- a2 *
268
- (b0 * (c1 * d3 - c3 * d1) - b1 * (c0 * d3 - c3 * d0) + b3 * (c0 * d1 - c1 * d0)) -
351
+ return (a0 * (b1 * (c2 * d3 - c3 * d2) - b2 * (c1 * d3 - c3 * d1) + b3 * (c1 * d2 - c2 * d1)) -
352
+ a1 * (b0 * (c2 * d3 - c3 * d2) - b2 * (c0 * d3 - c3 * d0) + b3 * (c0 * d2 - c2 * d0)) +
353
+ a2 * (b0 * (c1 * d3 - c3 * d1) - b1 * (c0 * d3 - c3 * d0) + b3 * (c0 * d1 - c1 * d0)) -
269
354
  a3 * (b0 * (c1 * d2 - c2 * d1) - b1 * (c0 * d2 - c2 * d0) + b2 * (c0 * d1 - c1 * d0)));
270
355
  }
271
356
  // Compute NxN determinant using LU decomposition with partial pivoting
272
357
  // More numerically stable than cofactor expansion for N > 4
273
358
  // Returns 0 for singular/near-singular matrices (pivot < EPS ≈ 1e-10)
274
359
  export function det_nxn(matrix) {
275
- const n = matrix.length;
276
- if (n === 0)
360
+ const mat_size = matrix.length;
361
+ if (mat_size === 0)
277
362
  return 1;
278
- if (!matrix.every((row) => row.length === n)) {
363
+ if (!matrix.every((row) => row.length === mat_size)) {
279
364
  throw new Error(`det_nxn requires a square matrix`);
280
365
  }
281
366
  // Fast paths for small matrices
282
- if (n === 1)
367
+ if (mat_size === 1)
283
368
  return matrix[0][0];
284
- if (n === 2)
369
+ if (mat_size === 2)
285
370
  return matrix[0][0] * matrix[1][1] - matrix[0][1] * matrix[1][0];
286
- if (n === 3)
371
+ if (mat_size === 3)
287
372
  return det_3x3(matrix);
288
- if (n === 4)
373
+ if (mat_size === 4)
289
374
  return det_4x4(matrix);
290
375
  // LU decomposition with partial pivoting
291
376
  // Create a working copy to avoid mutating input
292
377
  const lu = matrix.map((row) => [...row]);
293
378
  let swaps = 0;
294
- for (let col = 0; col < n; col++) {
379
+ for (let col = 0; col < mat_size; col++) {
295
380
  // Find pivot (largest absolute value in column)
296
- let max_row = col;
297
- let max_val = Math.abs(lu[col][col]);
298
- for (let row = col + 1; row < n; row++) {
381
+ let [max_row, max_val] = [col, Math.abs(lu[col][col])];
382
+ for (let row = col + 1; row < mat_size; row++) {
299
383
  const val = Math.abs(lu[row][col]);
300
384
  if (val > max_val) {
301
385
  max_val = val;
@@ -313,17 +397,17 @@ export function det_nxn(matrix) {
313
397
  }
314
398
  // Eliminate below pivot
315
399
  const pivot = lu[col][col];
316
- for (let row = col + 1; row < n; row++) {
400
+ for (let row = col + 1; row < mat_size; row++) {
317
401
  const factor = lu[row][col] / pivot;
318
402
  lu[row][col] = 0;
319
- for (let k = col + 1; k < n; k++) {
403
+ for (let k = col + 1; k < mat_size; k++) {
320
404
  lu[row][k] -= factor * lu[col][k];
321
405
  }
322
406
  }
323
407
  }
324
408
  // Determinant is product of diagonal elements × (-1)^swaps
325
409
  let det = swaps % 2 === 0 ? 1 : -1;
326
- for (let idx = 0; idx < n; idx++) {
410
+ for (let idx = 0; idx < mat_size; idx++) {
327
411
  det *= lu[idx][idx];
328
412
  }
329
413
  return det;
@@ -353,6 +437,14 @@ export const centered_frac = (val) => {
353
437
  wrapped -= 1;
354
438
  return wrapped || 0; // normalize -0 to 0
355
439
  };
440
+ // Element-wise equality check for two optional Vec3s.
441
+ // Returns true if both are the same reference, or both are defined with equal components.
442
+ export const vecs_equal = (vec_a, vec_b) => vec_a === vec_b ||
443
+ (!!vec_a &&
444
+ !!vec_b &&
445
+ vec_a[0] === vec_b[0] &&
446
+ vec_a[1] === vec_b[1] &&
447
+ vec_a[2] === vec_b[2]);
356
448
  // Normalize a Vec3 to unit length, returns zero vector if input is zero
357
449
  export function normalize_vec3(vec, fallback) {
358
450
  const len = Math.hypot(vec[0], vec[1], vec[2]);
@@ -374,7 +466,230 @@ export function compute_in_plane_basis(normal) {
374
466
  ];
375
467
  const u_vec = normalize_vec3(u_raw, [0, 1, 0]);
376
468
  const v_vec = cross_3d(normal, u_vec);
377
- return [u_vec, v_vec];
469
+ return [u_vec, v_vec]; // u, v basis vectors
470
+ }
471
+ // Check whether N 3D points all lie on the same plane within tolerance.
472
+ // Fewer than 3 points are trivially coplanar.
473
+ // Uses cross product to find a plane normal from non-collinear edges,
474
+ // then checks all remaining points have zero distance to that plane.
475
+ export function are_coplanar(points, tolerance = 1e-6) {
476
+ if (points.length < 3)
477
+ return true;
478
+ const origin = points[0];
479
+ // Find first pair of edges from origin that are not collinear
480
+ let normal = null;
481
+ for (let idx = 1; idx < points.length - 1; idx++) {
482
+ const edge_a = [
483
+ points[idx][0] - origin[0],
484
+ points[idx][1] - origin[1],
485
+ points[idx][2] - origin[2],
486
+ ];
487
+ for (let jdx = idx + 1; jdx < points.length; jdx++) {
488
+ const edge_b = [
489
+ points[jdx][0] - origin[0],
490
+ points[jdx][1] - origin[1],
491
+ points[jdx][2] - origin[2],
492
+ ];
493
+ const cross = cross_3d(edge_a, edge_b);
494
+ const len = Math.hypot(cross[0], cross[1], cross[2]);
495
+ if (len > tolerance) {
496
+ normal = [cross[0] / len, cross[1] / len, cross[2] / len];
497
+ break;
498
+ }
499
+ }
500
+ if (normal)
501
+ break;
502
+ }
503
+ // All edges are collinear -> all points lie on a line -> coplanar
504
+ if (!normal)
505
+ return true;
506
+ const plane_d = dot(normal, origin);
507
+ for (let idx = 1; idx < points.length; idx++) {
508
+ const dist = Math.abs(dot(normal, points[idx]) - plane_d);
509
+ if (dist > tolerance)
510
+ return false;
511
+ }
512
+ return true;
513
+ }
514
+ // Merge coplanar adjacent triangles in a flat non-indexed position array.
515
+ // Takes 9 floats per triangle (3 vertices x 3 coords), groups adjacent coplanar
516
+ // triangles via union-find, then re-triangulates each group with fan triangulation
517
+ // to eliminate internal diagonal edges.
518
+ export function merge_coplanar_triangles(positions, tolerance = 1e-4) {
519
+ const n_triangles = Math.floor(positions.length / 9);
520
+ if (n_triangles === 0)
521
+ return new Float32Array(positions);
522
+ const tri_planes = [];
523
+ for (let tri_idx = 0; tri_idx < n_triangles; tri_idx++) {
524
+ const base = tri_idx * 9;
525
+ const va = [positions[base], positions[base + 1], positions[base + 2]];
526
+ const vb = [positions[base + 3], positions[base + 4], positions[base + 5]];
527
+ const vc = [positions[base + 6], positions[base + 7], positions[base + 8]];
528
+ const edge_ab = [vb[0] - va[0], vb[1] - va[1], vb[2] - va[2]];
529
+ const edge_ac = [vc[0] - va[0], vc[1] - va[1], vc[2] - va[2]];
530
+ const raw_normal = cross_3d(edge_ab, edge_ac);
531
+ const len = Math.hypot(raw_normal[0], raw_normal[1], raw_normal[2]);
532
+ if (len < tolerance) {
533
+ tri_planes.push({
534
+ verts: [va, vb, vc],
535
+ normal: [0, 0, 0],
536
+ plane_d: 0,
537
+ degenerate: true,
538
+ });
539
+ continue;
540
+ }
541
+ // Normalize and canonicalize: first non-zero component must be positive
542
+ let normal = [raw_normal[0] / len, raw_normal[1] / len, raw_normal[2] / len];
543
+ const CANON_EPS = 1e-12;
544
+ const first_nonzero = Math.abs(normal[0]) > CANON_EPS
545
+ ? normal[0]
546
+ : Math.abs(normal[1]) > CANON_EPS
547
+ ? normal[1]
548
+ : normal[2];
549
+ if (first_nonzero < 0)
550
+ normal = [-normal[0], -normal[1], -normal[2]];
551
+ const plane_d = dot(normal, va);
552
+ tri_planes.push({ verts: [va, vb, vc], normal, plane_d, degenerate: false });
553
+ }
554
+ // === Step 2: Build adjacency via edge hash map ===
555
+ // Quantize vertex to integer grid for hashing (only used for equality, not coords)
556
+ const vert_key = (v) => `${Math.round(v[0] / tolerance)},${Math.round(v[1] / tolerance)},${Math.round(v[2] / tolerance)}`;
557
+ const edge_key = (va, vb) => {
558
+ const ka = vert_key(va);
559
+ const kb = vert_key(vb);
560
+ return ka < kb ? `${ka}|${kb}` : `${kb}|${ka}`;
561
+ };
562
+ // Map edge -> list of triangle indices sharing that edge
563
+ const edge_to_tris = new Map();
564
+ for (let tri_idx = 0; tri_idx < n_triangles; tri_idx++) {
565
+ const { verts, degenerate } = tri_planes[tri_idx];
566
+ if (degenerate)
567
+ continue;
568
+ const edges = [
569
+ edge_key(verts[0], verts[1]),
570
+ edge_key(verts[1], verts[2]),
571
+ edge_key(verts[0], verts[2]),
572
+ ];
573
+ for (const ek of edges) {
574
+ const existing = edge_to_tris.get(ek);
575
+ if (existing)
576
+ existing.push(tri_idx);
577
+ else
578
+ edge_to_tris.set(ek, [tri_idx]);
579
+ }
580
+ }
581
+ // === Step 3: Union-Find grouping of coplanar adjacent triangles ===
582
+ const parent = new Int32Array(n_triangles);
583
+ const rank = new Int32Array(n_triangles);
584
+ for (let idx = 0; idx < n_triangles; idx++)
585
+ parent[idx] = idx;
586
+ const find = (x) => {
587
+ while (parent[x] !== x) {
588
+ parent[x] = parent[parent[x]]; // path compression
589
+ x = parent[x];
590
+ }
591
+ return x;
592
+ };
593
+ const union = (a, b) => {
594
+ const ra = find(a), rb = find(b);
595
+ if (ra === rb)
596
+ return;
597
+ if (rank[ra] < rank[rb])
598
+ parent[ra] = rb;
599
+ else if (rank[ra] > rank[rb])
600
+ parent[rb] = ra;
601
+ else {
602
+ parent[rb] = ra;
603
+ rank[ra]++;
604
+ }
605
+ };
606
+ for (const tri_list of edge_to_tris.values()) {
607
+ if (tri_list.length !== 2)
608
+ continue;
609
+ const [idx_a, idx_b] = tri_list;
610
+ const pa = tri_planes[idx_a];
611
+ const pb = tri_planes[idx_b];
612
+ if (pa.degenerate || pb.degenerate)
613
+ continue;
614
+ // Check coplanarity: same canonical normal direction AND same plane distance
615
+ const normal_dot = pa.normal[0] * pb.normal[0] + pa.normal[1] * pb.normal[1] + pa.normal[2] * pb.normal[2];
616
+ if (Math.abs(normal_dot) < 1 - tolerance)
617
+ continue;
618
+ if (Math.abs(pa.plane_d - pb.plane_d) > tolerance)
619
+ continue;
620
+ union(idx_a, idx_b);
621
+ }
622
+ // === Step 4: Collect groups ===
623
+ const groups = new Map();
624
+ for (let idx = 0; idx < n_triangles; idx++) {
625
+ const root = find(idx);
626
+ const group = groups.get(root);
627
+ if (group)
628
+ group.push(idx);
629
+ else
630
+ groups.set(root, [idx]);
631
+ }
632
+ // === Step 5: Merge each group and re-triangulate ===
633
+ const output = [];
634
+ // Push a triangle's 3 vertices (9 floats) to the output
635
+ const emit_tri = (va, vb, vc) => {
636
+ output.push(va[0], va[1], va[2], vb[0], vb[1], vb[2], vc[0], vc[1], vc[2]);
637
+ };
638
+ const emit_original = (members) => {
639
+ for (const tri_idx of members) {
640
+ const { verts } = tri_planes[tri_idx];
641
+ emit_tri(verts[0], verts[1], verts[2]);
642
+ }
643
+ };
644
+ for (const members of groups.values()) {
645
+ if (members.length === 1) {
646
+ emit_original(members);
647
+ continue;
648
+ }
649
+ const { normal } = tri_planes[members[0]];
650
+ // Collect all unique vertices from the group
651
+ const seen_keys = new Map();
652
+ for (const tri_idx of members) {
653
+ for (const vert of tri_planes[tri_idx].verts) {
654
+ const key = vert_key(vert);
655
+ if (!seen_keys.has(key))
656
+ seen_keys.set(key, vert);
657
+ }
658
+ }
659
+ const unique_verts = [...seen_keys.values()];
660
+ if (unique_verts.length < 3) {
661
+ emit_original(members);
662
+ continue;
663
+ }
664
+ // Project to 2D using in-plane basis
665
+ const [u_vec, v_vec] = compute_in_plane_basis(normal);
666
+ const pts_2d = unique_verts.map((vertex) => [dot(u_vec, vertex), dot(v_vec, vertex)]);
667
+ const hull = convex_hull_2d(pts_2d);
668
+ if (hull.length < 3) {
669
+ emit_original(members);
670
+ continue;
671
+ }
672
+ // Map 2D hull vertices back to nearest 3D vertex
673
+ const hull_3d = hull.map((pt) => {
674
+ let best_dist = Infinity;
675
+ let best_idx = 0;
676
+ for (let idx = 0; idx < pts_2d.length; idx++) {
677
+ const du = pts_2d[idx][0] - pt[0];
678
+ const dv = pts_2d[idx][1] - pt[1];
679
+ const dist = du * du + dv * dv;
680
+ if (dist < best_dist) {
681
+ best_dist = dist;
682
+ best_idx = idx;
683
+ }
684
+ }
685
+ return unique_verts[best_idx];
686
+ });
687
+ // Fan-triangulate from hull vertex 0
688
+ for (let idx = 1; idx < hull_3d.length - 1; idx++) {
689
+ emit_tri(hull_3d[0], hull_3d[idx], hull_3d[idx + 1]);
690
+ }
691
+ }
692
+ return new Float32Array(output);
378
693
  }
379
694
  // Compute axis-aligned bounding box of Vec3 vertices
380
695
  export function compute_bounding_box(vertices) {
@@ -418,7 +733,7 @@ export function point_in_polygon(point_x, point_y, vertices) {
418
733
  const [x_i, y_i] = vertices[idx];
419
734
  const [x_j, y_j] = vertices[prev_idx];
420
735
  // Check if horizontal ray from point crosses this edge
421
- if (y_i !== y_j && (y_i > point_y) !== (y_j > point_y)) {
736
+ if (y_i !== y_j && y_i > point_y !== y_j > point_y) {
422
737
  const x_intersect = ((x_j - x_i) * (point_y - y_i)) / (y_j - y_i) + x_i;
423
738
  if (point_x < x_intersect)
424
739
  inside = !inside;
@@ -477,3 +792,105 @@ export function polygon_centroid(vertices) {
477
792
  const factor = 1 / (6 * signed_area);
478
793
  return [cx * factor, cy * factor];
479
794
  }
795
+ // Solve linear system Ax = b via LU decomposition with partial pivoting.
796
+ // Returns null if the system is singular (no unique solution).
797
+ // Fast-paths for 2x2 (Cramer's rule) and 3x3 (matrix inverse).
798
+ export function solve_linear_system(A, // NxN coefficient matrix
799
+ b) {
800
+ const n = A.length;
801
+ if (n === 0 || b.length !== n || !A.every((row) => row.length === n))
802
+ return null;
803
+ // 2x2 fast path via Cramer's rule
804
+ if (n === 2) {
805
+ const det = A[0][0] * A[1][1] - A[0][1] * A[1][0];
806
+ if (Math.abs(det) < EPS)
807
+ return null;
808
+ return [(b[0] * A[1][1] - b[1] * A[0][1]) / det, (A[0][0] * b[1] - A[1][0] * b[0]) / det];
809
+ }
810
+ // 3x3 fast path via matrix inverse
811
+ if (n === 3) {
812
+ const det = det_3x3(A);
813
+ if (Math.abs(det) < EPS)
814
+ return null;
815
+ const inv = matrix_inverse_3x3(A);
816
+ return mat3x3_vec3_multiply(inv, b);
817
+ }
818
+ // General NxN: LU decomposition with partial pivoting + forward/back substitution
819
+ const lu = A.map((row) => [...row]);
820
+ const perm = Array.from({ length: n }, (_, idx) => idx);
821
+ for (let col = 0; col < n; col++) {
822
+ // Find pivot
823
+ let [max_row, max_val] = [col, Math.abs(lu[col][col])];
824
+ for (let row = col + 1; row < n; row++) {
825
+ const val = Math.abs(lu[row][col]);
826
+ if (val > max_val)
827
+ [max_val, max_row] = [val, row];
828
+ }
829
+ if (max_val < EPS)
830
+ return null; // singular
831
+ // Swap rows
832
+ if (max_row !== col) {
833
+ ;
834
+ [lu[col], lu[max_row]] = [lu[max_row], lu[col]];
835
+ [perm[col], perm[max_row]] = [perm[max_row], perm[col]];
836
+ }
837
+ // Eliminate below pivot
838
+ const pivot = lu[col][col];
839
+ for (let row = col + 1; row < n; row++) {
840
+ const factor = lu[row][col] / pivot;
841
+ lu[row][col] = factor; // store L factor in lower triangle
842
+ for (let k = col + 1; k < n; k++) {
843
+ lu[row][k] -= factor * lu[col][k];
844
+ }
845
+ }
846
+ }
847
+ // Apply permutation to b
848
+ const pb = perm.map((idx) => b[idx]);
849
+ // Forward substitution (Ly = Pb)
850
+ for (let row = 1; row < n; row++) {
851
+ for (let col = 0; col < row; col++) {
852
+ pb[row] -= lu[row][col] * pb[col];
853
+ }
854
+ }
855
+ // Back substitution (Ux = y)
856
+ const x = Array.from({ length: n }).fill(0);
857
+ for (let row = n - 1; row >= 0; row--) {
858
+ let sum = pb[row];
859
+ for (let col = row + 1; col < n; col++) {
860
+ sum -= lu[row][col] * x[col];
861
+ }
862
+ x[row] = sum / lu[row][row];
863
+ }
864
+ return x;
865
+ }
866
+ // Full 2D convex hull via Andrew's monotone chain algorithm.
867
+ // Returns vertices in counter-clockwise order.
868
+ export function convex_hull_2d(points) {
869
+ if (points.length < 3)
870
+ return [...points];
871
+ const sorted = points.toSorted((a, b) => a[0] - b[0] || a[1] - b[1]);
872
+ const cross = (o, a, b) => (a[0] - o[0]) * (b[1] - o[1]) - (a[1] - o[1]) * (b[0] - o[0]);
873
+ // Lower hull
874
+ const lower = [];
875
+ for (const pt of sorted) {
876
+ while (lower.length >= 2 &&
877
+ cross(lower[lower.length - 2], lower[lower.length - 1], pt) <= 0) {
878
+ lower.pop();
879
+ }
880
+ lower.push(pt);
881
+ }
882
+ // Upper hull
883
+ const upper = [];
884
+ for (let idx = sorted.length - 1; idx >= 0; idx--) {
885
+ const pt = sorted[idx];
886
+ while (upper.length >= 2 &&
887
+ cross(upper[upper.length - 2], upper[upper.length - 1], pt) <= 0) {
888
+ upper.pop();
889
+ }
890
+ upper.push(pt);
891
+ }
892
+ // Remove last point of each half (it's the first point of the other)
893
+ lower.pop();
894
+ upper.pop();
895
+ return [...lower, ...upper];
896
+ }