matterviz 0.3.4 → 0.3.6

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 (852) hide show
  1. package/.vscode/launch.json +13 -0
  2. package/.vscodeignore +7 -0
  3. package/dist/assets/STLExporter-BpTH3YHE.js +8 -0
  4. package/dist/assets/browser-DdDecX_W.js +1 -0
  5. package/dist/assets/export-qgn-H9y6.js +2 -0
  6. package/dist/assets/main-DiKYzti2.css +1 -0
  7. package/dist/assets/moyo_wasm_bg-0ocwg7xY.wasm +0 -0
  8. package/dist/extension.js +31293 -0
  9. package/dist/src/lib/FilePicker.svelte +360 -0
  10. package/dist/src/lib/MillerIndexInput.svelte +66 -0
  11. package/dist/src/lib/api/mp.ts +26 -0
  12. package/dist/src/lib/api/optimade.ts +204 -0
  13. package/dist/src/lib/app.css +247 -0
  14. package/dist/src/lib/brillouin/BrillouinZone.svelte +549 -0
  15. package/dist/src/lib/brillouin/BrillouinZoneControls.svelte +144 -0
  16. package/dist/src/lib/brillouin/BrillouinZoneExportPane.svelte +146 -0
  17. package/dist/src/lib/brillouin/BrillouinZoneInfoPane.svelte +146 -0
  18. package/dist/src/lib/brillouin/BrillouinZoneScene.svelte +476 -0
  19. package/dist/src/lib/brillouin/BrillouinZoneTooltip.svelte +92 -0
  20. package/dist/src/lib/brillouin/compute.ts +529 -0
  21. package/dist/src/lib/brillouin/index.ts +8 -0
  22. package/dist/src/lib/brillouin/types.ts +51 -0
  23. package/dist/src/lib/chempot-diagram/ChemPotDiagram.svelte +327 -0
  24. package/dist/src/lib/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
  25. package/dist/src/lib/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
  26. package/dist/src/lib/chempot-diagram/async-compute.svelte.ts +94 -0
  27. package/dist/src/lib/chempot-diagram/chempot-worker.ts +11 -0
  28. package/dist/src/lib/chempot-diagram/color.ts +42 -0
  29. package/dist/src/lib/chempot-diagram/compute.ts +1014 -0
  30. package/dist/src/lib/chempot-diagram/index.ts +6 -0
  31. package/dist/src/lib/chempot-diagram/pointer.ts +56 -0
  32. package/dist/src/lib/chempot-diagram/temperature.ts +77 -0
  33. package/dist/src/lib/chempot-diagram/types.ts +130 -0
  34. package/dist/src/lib/colors/index.ts +249 -0
  35. package/dist/src/lib/composition/BarChart.svelte +297 -0
  36. package/dist/src/lib/composition/BubbleChart.svelte +218 -0
  37. package/dist/src/lib/composition/Composition.svelte +165 -0
  38. package/dist/src/lib/composition/Formula.svelte +268 -0
  39. package/dist/src/lib/composition/FormulaFilter.svelte +1257 -0
  40. package/dist/src/lib/composition/PieChart.svelte +323 -0
  41. package/dist/src/lib/composition/format.ts +155 -0
  42. package/dist/src/lib/composition/index.ts +37 -0
  43. package/dist/src/lib/composition/parse.ts +605 -0
  44. package/dist/src/lib/constants.ts +134 -0
  45. package/dist/src/lib/controls.ts +42 -0
  46. package/dist/src/lib/convex-hull/ConvexHull.svelte +157 -0
  47. package/dist/src/lib/convex-hull/ConvexHull2D.svelte +825 -0
  48. package/dist/src/lib/convex-hull/ConvexHull3D.svelte +1801 -0
  49. package/dist/src/lib/convex-hull/ConvexHull4D.svelte +1398 -0
  50. package/dist/src/lib/convex-hull/ConvexHullControls.svelte +535 -0
  51. package/dist/src/lib/convex-hull/ConvexHullInfoPane.svelte +125 -0
  52. package/dist/src/lib/convex-hull/ConvexHullStats.svelte +929 -0
  53. package/dist/src/lib/convex-hull/ConvexHullTooltip.svelte +131 -0
  54. package/dist/src/lib/convex-hull/GasPressureControls.svelte +247 -0
  55. package/dist/src/lib/convex-hull/StructurePopup.svelte +151 -0
  56. package/dist/src/lib/convex-hull/TemperatureSlider.svelte +140 -0
  57. package/dist/src/lib/convex-hull/barycentric-coords.ts +246 -0
  58. package/dist/src/lib/convex-hull/demo-temperature.ts +63 -0
  59. package/dist/src/lib/convex-hull/gas-thermodynamics.ts +405 -0
  60. package/dist/src/lib/convex-hull/helpers.ts +932 -0
  61. package/dist/src/lib/convex-hull/index.ts +202 -0
  62. package/dist/src/lib/convex-hull/thermodynamics.ts +2192 -0
  63. package/dist/src/lib/convex-hull/types.ts +267 -0
  64. package/dist/src/lib/coordination/CoordinationBarPlot.svelte +311 -0
  65. package/dist/src/lib/coordination/calc-coordination.ts +93 -0
  66. package/dist/src/lib/coordination/index.ts +9 -0
  67. package/dist/src/lib/effects.svelte.ts +48 -0
  68. package/dist/src/lib/element/BohrAtom.svelte +147 -0
  69. package/dist/src/lib/element/ElementHeading.svelte +26 -0
  70. package/dist/src/lib/element/ElementPhoto.svelte +57 -0
  71. package/dist/src/lib/element/ElementStats.svelte +80 -0
  72. package/dist/src/lib/element/ElementTile.svelte +484 -0
  73. package/dist/src/lib/element/data.json.gz.d.ts +4 -0
  74. package/dist/src/lib/element/data.ts +14 -0
  75. package/dist/src/lib/element/index.ts +8 -0
  76. package/dist/src/lib/element/types.ts +62 -0
  77. package/dist/src/lib/feedback/ClickFeedback.svelte +58 -0
  78. package/dist/src/lib/feedback/DragOverlay.svelte +42 -0
  79. package/dist/src/lib/feedback/index.ts +4 -0
  80. package/dist/src/lib/fermi-surface/FermiSlice.svelte +189 -0
  81. package/dist/src/lib/fermi-surface/FermiSurface.svelte +600 -0
  82. package/dist/src/lib/fermi-surface/FermiSurfaceControls.svelte +448 -0
  83. package/dist/src/lib/fermi-surface/FermiSurfaceScene.svelte +794 -0
  84. package/dist/src/lib/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
  85. package/dist/src/lib/fermi-surface/compute.ts +728 -0
  86. package/dist/src/lib/fermi-surface/constants.ts +32 -0
  87. package/dist/src/lib/fermi-surface/export.ts +64 -0
  88. package/dist/src/lib/fermi-surface/index.ts +14 -0
  89. package/dist/src/lib/fermi-surface/marching-cubes.ts +3 -0
  90. package/dist/src/lib/fermi-surface/parse.ts +574 -0
  91. package/dist/src/lib/fermi-surface/symmetry.ts +56 -0
  92. package/dist/src/lib/fermi-surface/types.ts +159 -0
  93. package/dist/src/lib/heatmap-matrix/HeatmapMatrix.svelte +1545 -0
  94. package/dist/src/lib/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
  95. package/dist/src/lib/heatmap-matrix/index.ts +167 -0
  96. package/dist/src/lib/heatmap-matrix/shared.ts +7 -0
  97. package/dist/src/lib/icons.ts +650 -0
  98. package/dist/src/lib/index.ts +61 -0
  99. package/dist/src/lib/io/decompress.ts +92 -0
  100. package/dist/src/lib/io/export.ts +385 -0
  101. package/dist/src/lib/io/fetch.ts +46 -0
  102. package/dist/src/lib/io/file-drop.ts +51 -0
  103. package/dist/src/lib/io/index.ts +7 -0
  104. package/dist/src/lib/io/is-binary.ts +24 -0
  105. package/dist/src/lib/io/types.ts +8 -0
  106. package/dist/src/lib/io/url-drop.ts +141 -0
  107. package/dist/src/lib/isosurface/Isosurface.svelte +285 -0
  108. package/dist/src/lib/isosurface/IsosurfaceControls.svelte +277 -0
  109. package/dist/src/lib/isosurface/index.ts +7 -0
  110. package/dist/src/lib/isosurface/parse.ts +656 -0
  111. package/dist/src/lib/isosurface/slice.ts +175 -0
  112. package/dist/src/lib/isosurface/types.ts +309 -0
  113. package/dist/src/lib/labels.ts +320 -0
  114. package/dist/src/lib/layout/FullscreenToggle.svelte +50 -0
  115. package/dist/src/lib/layout/InfoCard.svelte +120 -0
  116. package/dist/src/lib/layout/InfoTag.svelte +185 -0
  117. package/dist/src/lib/layout/PropertyFilter.svelte +246 -0
  118. package/dist/src/lib/layout/SettingsSection.svelte +148 -0
  119. package/dist/src/lib/layout/SubpageGrid.svelte +82 -0
  120. package/dist/src/lib/layout/fullscreen.ts +65 -0
  121. package/dist/src/lib/layout/index.ts +11 -0
  122. package/dist/src/lib/layout/json-tree/JsonNode.svelte +548 -0
  123. package/dist/src/lib/layout/json-tree/JsonTree.svelte +1230 -0
  124. package/dist/src/lib/layout/json-tree/JsonValue.svelte +334 -0
  125. package/dist/src/lib/layout/json-tree/index.ts +3 -0
  126. package/dist/src/lib/layout/json-tree/types.ts +126 -0
  127. package/dist/src/lib/layout/json-tree/utils.ts +682 -0
  128. package/dist/src/lib/marching-cubes.ts +614 -0
  129. package/dist/src/lib/math.ts +1081 -0
  130. package/dist/src/lib/overlays/ContextMenu.svelte +162 -0
  131. package/dist/src/lib/overlays/CopyButton.svelte +45 -0
  132. package/dist/src/lib/overlays/DragControlTab.svelte +98 -0
  133. package/dist/src/lib/overlays/DraggablePane.svelte +487 -0
  134. package/dist/src/lib/overlays/InfoPaneCards.svelte +149 -0
  135. package/dist/src/lib/overlays/index.ts +3 -0
  136. package/dist/src/lib/periodic-table/PeriodicTable.svelte +469 -0
  137. package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +557 -0
  138. package/dist/src/lib/periodic-table/PropertySelect.svelte +37 -0
  139. package/dist/src/lib/periodic-table/index.ts +12 -0
  140. package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
  141. package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +444 -0
  142. package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
  143. package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
  144. package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
  145. package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +203 -0
  146. package/dist/src/lib/phase-diagram/build-diagram.ts +186 -0
  147. package/dist/src/lib/phase-diagram/colors.ts +58 -0
  148. package/dist/src/lib/phase-diagram/diagram-input.ts +40 -0
  149. package/dist/src/lib/phase-diagram/index.ts +13 -0
  150. package/dist/src/lib/phase-diagram/parse.ts +348 -0
  151. package/dist/src/lib/phase-diagram/svg-to-diagram.ts +1023 -0
  152. package/dist/src/lib/phase-diagram/types.ts +144 -0
  153. package/dist/src/lib/phase-diagram/utils.ts +775 -0
  154. package/dist/src/lib/plot/AxisLabel.svelte +51 -0
  155. package/dist/src/lib/plot/BarPlot.svelte +2113 -0
  156. package/dist/src/lib/plot/BarPlotControls.svelte +66 -0
  157. package/dist/src/lib/plot/BinnedScatterPlot.svelte +1114 -0
  158. package/dist/src/lib/plot/ColorBar.svelte +721 -0
  159. package/dist/src/lib/plot/ColorScaleSelect.svelte +54 -0
  160. package/dist/src/lib/plot/ElementScatter.svelte +63 -0
  161. package/dist/src/lib/plot/FillArea.svelte +223 -0
  162. package/dist/src/lib/plot/Histogram.svelte +1558 -0
  163. package/dist/src/lib/plot/HistogramControls.svelte +212 -0
  164. package/dist/src/lib/plot/InteractiveAxisLabel.svelte +96 -0
  165. package/dist/src/lib/plot/Line.svelte +84 -0
  166. package/dist/src/lib/plot/PlotAxis.svelte +169 -0
  167. package/dist/src/lib/plot/PlotControls.svelte +537 -0
  168. package/dist/src/lib/plot/PlotLegend.svelte +569 -0
  169. package/dist/src/lib/plot/PlotTooltip.svelte +67 -0
  170. package/dist/src/lib/plot/PortalSelect.svelte +253 -0
  171. package/dist/src/lib/plot/ReferenceLine3D.svelte +156 -0
  172. package/dist/src/lib/plot/ReferencePlane.svelte +175 -0
  173. package/dist/src/lib/plot/ScatterPlot.svelte +2778 -0
  174. package/dist/src/lib/plot/ScatterPlot3D.svelte +529 -0
  175. package/dist/src/lib/plot/ScatterPlot3DControls.svelte +437 -0
  176. package/dist/src/lib/plot/ScatterPlot3DScene.svelte +912 -0
  177. package/dist/src/lib/plot/ScatterPlotControls.svelte +306 -0
  178. package/dist/src/lib/plot/ScatterPoint.svelte +182 -0
  179. package/dist/src/lib/plot/SpacegroupBarPlot.svelte +293 -0
  180. package/dist/src/lib/plot/Surface3D.svelte +197 -0
  181. package/dist/src/lib/plot/ZeroLines.svelte +97 -0
  182. package/dist/src/lib/plot/ZoomRect.svelte +23 -0
  183. package/dist/src/lib/plot/adaptive-density.ts +316 -0
  184. package/dist/src/lib/plot/auto-place.ts +184 -0
  185. package/dist/src/lib/plot/axis-utils.ts +122 -0
  186. package/dist/src/lib/plot/binned-scatter-types.ts +83 -0
  187. package/dist/src/lib/plot/data-cleaning.ts +1069 -0
  188. package/dist/src/lib/plot/data-transform.ts +69 -0
  189. package/dist/src/lib/plot/defaults.ts +9 -0
  190. package/dist/src/lib/plot/fill-utils.ts +494 -0
  191. package/dist/src/lib/plot/hover-lock.svelte.ts +60 -0
  192. package/dist/src/lib/plot/index.ts +53 -0
  193. package/dist/src/lib/plot/interactions.ts +119 -0
  194. package/dist/src/lib/plot/layout.ts +425 -0
  195. package/dist/src/lib/plot/reference-line.ts +426 -0
  196. package/dist/src/lib/plot/scales.ts +654 -0
  197. package/dist/src/lib/plot/svg.ts +23 -0
  198. package/dist/src/lib/plot/types.ts +1144 -0
  199. package/dist/src/lib/plot/utils/label-placement.ts +541 -0
  200. package/dist/src/lib/plot/utils/series-visibility.ts +140 -0
  201. package/dist/src/lib/plot/utils.ts +11 -0
  202. package/dist/src/lib/rdf/RdfPlot.svelte +247 -0
  203. package/dist/src/lib/rdf/calc-rdf.ts +167 -0
  204. package/dist/src/lib/rdf/index.ts +27 -0
  205. package/dist/src/lib/sanitize.ts +126 -0
  206. package/dist/src/lib/settings.ts +1479 -0
  207. package/dist/src/lib/spectral/Bands.svelte +1040 -0
  208. package/dist/src/lib/spectral/BandsAndDos.svelte +134 -0
  209. package/dist/src/lib/spectral/BrillouinBandsDos.svelte +252 -0
  210. package/dist/src/lib/spectral/Dos.svelte +697 -0
  211. package/dist/src/lib/spectral/helpers.ts +1381 -0
  212. package/dist/src/lib/spectral/index.ts +8 -0
  213. package/dist/src/lib/spectral/types.ts +112 -0
  214. package/dist/src/lib/state.svelte.ts +64 -0
  215. package/dist/src/lib/structure/Arrow.svelte +72 -0
  216. package/dist/src/lib/structure/AtomLegend.svelte +815 -0
  217. package/dist/src/lib/structure/Bond.svelte +140 -0
  218. package/dist/src/lib/structure/CanvasTooltip.svelte +33 -0
  219. package/dist/src/lib/structure/CellSelect.svelte +349 -0
  220. package/dist/src/lib/structure/Cylinder.svelte +45 -0
  221. package/dist/src/lib/structure/Lattice.svelte +196 -0
  222. package/dist/src/lib/structure/Structure.svelte +2248 -0
  223. package/dist/src/lib/structure/StructureControls.svelte +1273 -0
  224. package/dist/src/lib/structure/StructureExportPane.svelte +252 -0
  225. package/dist/src/lib/structure/StructureInfoPane.svelte +737 -0
  226. package/dist/src/lib/structure/StructureScene.svelte +2255 -0
  227. package/dist/src/lib/structure/atom-properties.ts +316 -0
  228. package/dist/src/lib/structure/bond-order-perception.ts +447 -0
  229. package/dist/src/lib/structure/bonding.ts +944 -0
  230. package/dist/src/lib/structure/export.ts +861 -0
  231. package/dist/src/lib/structure/index.ts +291 -0
  232. package/dist/src/lib/structure/label-placement.ts +130 -0
  233. package/dist/src/lib/structure/measure.ts +45 -0
  234. package/dist/src/lib/structure/parse.ts +1705 -0
  235. package/dist/src/lib/structure/partial-occupancy.ts +183 -0
  236. package/dist/src/lib/structure/pbc.ts +164 -0
  237. package/dist/src/lib/structure/supercell.ts +226 -0
  238. package/dist/src/lib/structure/validation.ts +11 -0
  239. package/dist/src/lib/symmetry/SymmetryStats.svelte +226 -0
  240. package/dist/src/lib/symmetry/WyckoffTable.svelte +120 -0
  241. package/dist/src/lib/symmetry/cell-transform.ts +118 -0
  242. package/dist/src/lib/symmetry/index.ts +348 -0
  243. package/dist/src/lib/symmetry/spacegroups.ts +404 -0
  244. package/dist/src/lib/table/HeatmapTable.svelte +1833 -0
  245. package/dist/src/lib/table/ToggleMenu.svelte +385 -0
  246. package/dist/src/lib/table/index.ts +139 -0
  247. package/dist/src/lib/theme/ThemeControl.svelte +53 -0
  248. package/dist/src/lib/theme/index.ts +107 -0
  249. package/dist/src/lib/theme/themes.mjs +297 -0
  250. package/dist/src/lib/time.ts +71 -0
  251. package/dist/src/lib/tooltip/TooltipContent.svelte +58 -0
  252. package/dist/src/lib/tooltip/index.ts +2 -0
  253. package/dist/src/lib/tooltip/types.ts +13 -0
  254. package/dist/src/lib/trajectory/Trajectory.svelte +1545 -0
  255. package/dist/src/lib/trajectory/TrajectoryError.svelte +128 -0
  256. package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +357 -0
  257. package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +313 -0
  258. package/dist/src/lib/trajectory/constants.ts +7 -0
  259. package/dist/src/lib/trajectory/extract.ts +196 -0
  260. package/dist/src/lib/trajectory/format-detect.ts +96 -0
  261. package/dist/src/lib/trajectory/frame-reader.ts +456 -0
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  263. package/dist/src/lib/trajectory/index.ts +218 -0
  264. package/dist/src/lib/trajectory/parse/ase.ts +109 -0
  265. package/dist/src/lib/trajectory/parse/hdf5.ts +173 -0
  266. package/dist/src/lib/trajectory/parse/index.ts +411 -0
  267. package/dist/src/lib/trajectory/parse/lammps.ts +215 -0
  268. package/dist/src/lib/trajectory/parse/vasp.ts +102 -0
  269. package/dist/src/lib/trajectory/parse/xyz.ts +143 -0
  270. package/dist/src/lib/trajectory/plotting.ts +599 -0
  271. package/dist/src/lib/trajectory/types.ts +13 -0
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  273. package/dist/src/lib/xrd/XrdPlot.svelte +615 -0
  274. package/dist/src/lib/xrd/broadening.ts +130 -0
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  276. package/dist/src/lib/xrd/index.ts +38 -0
  277. package/dist/src/lib/xrd/parse.ts +858 -0
  278. package/dist/webview.js +29421 -0
  279. package/icon.png +0 -0
  280. package/license +1 -1
  281. package/matterviz-0.3.2.vsix +0 -0
  282. package/matterviz-0.3.4.vsix +0 -0
  283. package/matterviz-0.3.5.vsix +0 -0
  284. package/package.json +1461 -231
  285. package/readme.md +171 -98
  286. package/scripts/sync-config.ts +101 -0
  287. package/src/declarations.d.ts +2 -0
  288. package/src/extension.ts +972 -0
  289. package/src/node-io.ts +65 -0
  290. package/src/types.ts +17 -0
  291. package/src/webview/JsonBrowser.svelte +1079 -0
  292. package/src/webview/PlotPanel.svelte +346 -0
  293. package/src/webview/detect.ts +444 -0
  294. package/src/webview/main.ts +764 -0
  295. package/src/webview/plot-utils.ts +250 -0
  296. package/test-fixtures/all-viz-types.json.gz +0 -0
  297. package/test-fixtures/plot-demo-data.json.gz +0 -0
  298. package/tests/detect.test.ts +604 -0
  299. package/tests/extension.test.ts +2041 -0
  300. package/tests/node-io.test.ts +39 -0
  301. package/tests/plot-utils.test.ts +302 -0
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  304. package/tests/webview.test.ts +231 -0
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  313. package/dist/MillerIndexInput.svelte +0 -66
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  315. package/dist/api/mp.d.ts +0 -6
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  317. package/dist/api/optimade.d.ts +0 -45
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  320. package/dist/brillouin/BrillouinZone.svelte +0 -543
  321. package/dist/brillouin/BrillouinZone.svelte.d.ts +0 -83
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@@ -0,0 +1,1069 @@
1
+ // Data cleaning utilities for plot data
2
+ // Detects oscillations, enforces physical bounds, and handles multi-dimensional datasets
3
+
4
+ import { apply_gaussian_smearing } from '$lib/spectral/helpers'
5
+ import type {
6
+ CleaningConfig,
7
+ CleaningQuality,
8
+ CleaningResult,
9
+ DataSeries,
10
+ InstabilityResult,
11
+ InvalidValueMode,
12
+ LocalOutlierConfig,
13
+ LocalOutlierResult,
14
+ PhysicalBounds,
15
+ SmoothingConfig,
16
+ } from './types'
17
+
18
+ // Default configuration values
19
+ const DEFAULT_WINDOW_SIZE = 5
20
+ const DEFAULT_OSCILLATION_THRESHOLD = 3.0
21
+ const DEFAULT_POLYNOMIAL_ORDER = 2
22
+
23
+ // --- Core Detection Functions ---
24
+
25
+ // Compute rolling variance using Welford's online algorithm - O(n)
26
+ // Returns variance for each point based on surrounding window
27
+ export function compute_local_variance(values: number[], window_size: number): number[] {
28
+ const len = values.length
29
+ if (len === 0) return []
30
+ if (len === 1) return [0]
31
+
32
+ const half_window = Math.floor(window_size / 2)
33
+ const result: number[] = Array(len)
34
+
35
+ // Single pass for each index, no slice allocation (avoids O(n × window) allocations)
36
+ for (let idx = 0; idx < len; idx++) {
37
+ const start = Math.max(0, idx - half_window)
38
+ const end = Math.min(len, idx + half_window + 1)
39
+
40
+ // Welford's online variance calculation
41
+ let [mean, m2, count] = [0, 0, 0]
42
+ for (let jdx = start; jdx < end; jdx++) {
43
+ const val = values[jdx]
44
+ if (!Number.isFinite(val)) continue
45
+ count++
46
+ const delta = val - mean
47
+ mean += delta / count
48
+ const delta2 = val - mean
49
+ m2 += delta * delta2
50
+ }
51
+
52
+ result[idx] = count > 1 ? m2 / (count - 1) : 0
53
+ }
54
+
55
+ return result
56
+ }
57
+
58
+ // Compute first-order finite differences (discrete derivative)
59
+ function compute_derivatives(values: number[]): number[] {
60
+ if (values.length < 2) return []
61
+ const derivs: number[] = Array(values.length - 1)
62
+ for (let idx = 0; idx < values.length - 1; idx++) {
63
+ derivs[idx] = values[idx + 1] - values[idx]
64
+ }
65
+ return derivs
66
+ }
67
+
68
+ // Detect derivative variance spikes (method 1)
69
+ // Returns onset index where derivative variance exceeds threshold
70
+ function detect_derivative_variance(
71
+ values: number[],
72
+ window_size: number,
73
+ threshold_multiplier: number,
74
+ ): { onset_index: number; score: number } {
75
+ const derivs = compute_derivatives(values)
76
+ if (derivs.length < window_size) {
77
+ return { onset_index: -1, score: 0 }
78
+ }
79
+
80
+ const local_var = compute_local_variance(derivs, window_size)
81
+
82
+ // Compute baseline variance from first stable portion
83
+ const baseline_end = Math.min(Math.floor(derivs.length / 4), 50)
84
+ const baseline_vars = local_var.slice(0, Math.max(baseline_end, window_size))
85
+ const baseline_median = median(baseline_vars.filter((val) => val > 0))
86
+
87
+ if (baseline_median === 0) {
88
+ return { onset_index: -1, score: 0 }
89
+ }
90
+
91
+ // Find first point where variance exceeds threshold
92
+ let max_score = 0
93
+ for (let idx = baseline_end; idx < local_var.length; idx++) {
94
+ const ratio = local_var[idx] / baseline_median
95
+ if (ratio > max_score) max_score = ratio
96
+ if (ratio > threshold_multiplier) {
97
+ return { onset_index: idx + 1, score: ratio } // +1 to convert from deriv index to value index
98
+ }
99
+ }
100
+
101
+ return { onset_index: -1, score: max_score }
102
+ }
103
+
104
+ // Detect exponential amplitude growth (method 2)
105
+ // Looks for values growing exponentially from their mean
106
+ function detect_amplitude_growth(
107
+ values: number[],
108
+ window_size: number,
109
+ ): { onset_index: number; score: number } {
110
+ if (values.length < window_size * 3) {
111
+ return { onset_index: -1, score: 0 }
112
+ }
113
+
114
+ // Compute running amplitude (deviation from local mean)
115
+ const amplitudes: number[] = []
116
+ const half_window = Math.floor(window_size / 2)
117
+
118
+ for (let idx = half_window; idx < values.length - half_window; idx++) {
119
+ const start = idx - half_window
120
+ const end = idx + half_window + 1
121
+ const window_len = end - start
122
+
123
+ // Compute local mean without slice allocation
124
+ let sum = 0
125
+ for (let jdx = start; jdx < end; jdx++) sum += values[jdx]
126
+ const local_mean = sum / window_len
127
+
128
+ // Find max deviation without slice allocation
129
+ let max_deviation = 0
130
+ for (let jdx = start; jdx < end; jdx++) {
131
+ const deviation = Math.abs(values[jdx] - local_mean)
132
+ if (deviation > max_deviation) max_deviation = deviation
133
+ }
134
+ amplitudes.push(max_deviation)
135
+ }
136
+
137
+ if (amplitudes.length < 10) {
138
+ return { onset_index: -1, score: 0 }
139
+ }
140
+
141
+ // Detect exponential growth by checking if amplitude ratio increases
142
+ const baseline_amp = median(amplitudes.slice(0, Math.floor(amplitudes.length / 4)))
143
+ if (baseline_amp === 0) {
144
+ return { onset_index: -1, score: 0 }
145
+ }
146
+
147
+ let max_score = 0
148
+ for (let idx = Math.floor(amplitudes.length / 4); idx < amplitudes.length; idx++) {
149
+ const ratio = amplitudes[idx] / baseline_amp
150
+ if (ratio > max_score) max_score = ratio
151
+
152
+ // Exponential growth threshold: amplitude 10x baseline
153
+ if (ratio > 10) {
154
+ return { onset_index: idx + half_window, score: ratio / 10 }
155
+ }
156
+ }
157
+
158
+ return { onset_index: -1, score: max_score / 10 }
159
+ }
160
+
161
+ // Count derivative sign changes per window (method 3)
162
+ // Detects high-frequency oscillations
163
+ function detect_sign_change_frequency(
164
+ values: number[],
165
+ window_size: number,
166
+ max_changes_per_window: number = 3,
167
+ ): { onset_index: number; score: number } {
168
+ const derivs = compute_derivatives(values)
169
+ if (derivs.length < window_size * 2) {
170
+ return { onset_index: -1, score: 0 }
171
+ }
172
+
173
+ // Count sign changes in sliding windows
174
+ const half_window = Math.floor(window_size / 2)
175
+ let max_score = 0
176
+
177
+ for (let idx = half_window; idx < derivs.length - half_window; idx++) {
178
+ const start = idx - half_window
179
+ const end = idx + half_window + 1
180
+ let sign_changes = 0
181
+
182
+ // Count sign changes without slice allocation
183
+ for (let jdx = start + 1; jdx < end; jdx++) {
184
+ if (derivs[jdx] * derivs[jdx - 1] < 0) {
185
+ sign_changes++
186
+ }
187
+ }
188
+
189
+ const normalized_score = sign_changes / max_changes_per_window
190
+ if (normalized_score > max_score) max_score = normalized_score
191
+
192
+ if (sign_changes > max_changes_per_window) {
193
+ return { onset_index: idx + 1, score: normalized_score }
194
+ }
195
+ }
196
+
197
+ return { onset_index: -1, score: max_score }
198
+ }
199
+
200
+ // Combined detection with configurable weights
201
+ export function detect_instability(
202
+ x_values: readonly number[],
203
+ y_values: readonly number[],
204
+ config: Pick<
205
+ CleaningConfig,
206
+ `oscillation_weights` | `oscillation_threshold` | `window_size`
207
+ > = {},
208
+ ): InstabilityResult {
209
+ const window_size = config.window_size ?? DEFAULT_WINDOW_SIZE
210
+ const threshold = config.oscillation_threshold ?? DEFAULT_OSCILLATION_THRESHOLD
211
+ const weights = {
212
+ derivative_variance: config.oscillation_weights?.derivative_variance ?? 1.0,
213
+ amplitude_growth: config.oscillation_weights?.amplitude_growth ?? 1.0,
214
+ sign_changes: config.oscillation_weights?.sign_changes ?? 1.0,
215
+ }
216
+
217
+ // Filter out invalid values for detection
218
+ const valid_indices: number[] = []
219
+ const valid_y: number[] = []
220
+ for (let idx = 0; idx < y_values.length; idx++) {
221
+ if (Number.isFinite(y_values[idx])) {
222
+ valid_indices.push(idx)
223
+ valid_y.push(y_values[idx])
224
+ }
225
+ }
226
+
227
+ if (valid_y.length < window_size * 2) {
228
+ const method_scores = { derivative_variance: 0, amplitude_growth: 0, sign_changes: 0 }
229
+ const detected = false
230
+ return { detected, onset_index: -1, onset_x: NaN, combined_score: 0, method_scores }
231
+ }
232
+
233
+ // Run all three detection methods
234
+ const deriv_result = detect_derivative_variance(valid_y, window_size, threshold)
235
+ const amp_result = detect_amplitude_growth(valid_y, window_size)
236
+ const sign_result = detect_sign_change_frequency(valid_y, window_size)
237
+
238
+ const method_scores = {
239
+ derivative_variance: deriv_result.score,
240
+ amplitude_growth: amp_result.score,
241
+ sign_changes: sign_result.score,
242
+ }
243
+
244
+ // Compute weighted combined score
245
+ const total_weight =
246
+ weights.derivative_variance + weights.amplitude_growth + weights.sign_changes
247
+ const combined_score =
248
+ total_weight > 0
249
+ ? (weights.derivative_variance * deriv_result.score +
250
+ weights.amplitude_growth * amp_result.score +
251
+ weights.sign_changes * sign_result.score) /
252
+ total_weight
253
+ : 0
254
+
255
+ // Find earliest onset across all methods that exceeded threshold
256
+ const onset_candidates = [
257
+ {
258
+ idx: deriv_result.onset_index,
259
+ score: deriv_result.score * weights.derivative_variance,
260
+ },
261
+ { idx: amp_result.onset_index, score: amp_result.score * weights.amplitude_growth },
262
+ { idx: sign_result.onset_index, score: sign_result.score * weights.sign_changes },
263
+ ].filter((candidate) => candidate.idx >= 0)
264
+
265
+ let onset_index = -1
266
+ if (onset_candidates.length > 0) {
267
+ // Take earliest detected onset
268
+ onset_index = Math.min(...onset_candidates.map((candidate) => candidate.idx))
269
+ // Map back to original index if we filtered values
270
+ if (onset_index >= 0 && onset_index < valid_indices.length) {
271
+ onset_index = valid_indices[onset_index]
272
+ }
273
+ }
274
+
275
+ const detected = combined_score >= threshold || onset_index >= 0
276
+ const onset_x =
277
+ onset_index >= 0 && onset_index < x_values.length ? x_values[onset_index] : NaN
278
+
279
+ return { detected, onset_index, onset_x, combined_score, method_scores }
280
+ }
281
+
282
+ // --- Smoothing Functions ---
283
+
284
+ // Moving average - O(n)
285
+ export function smooth_moving_average(values: number[], window: number): number[] {
286
+ if (values.length === 0 || window <= 1) return [...values]
287
+
288
+ const result: number[] = Array(values.length)
289
+ const half_window = Math.floor(window / 2)
290
+
291
+ for (let idx = 0; idx < values.length; idx++) {
292
+ const start = Math.max(0, idx - half_window)
293
+ const end = Math.min(values.length, idx + half_window + 1)
294
+ let [sum, count] = [0, 0]
295
+
296
+ for (let jdx = start; jdx < end; jdx++) {
297
+ if (Number.isFinite(values[jdx])) {
298
+ sum += values[jdx]
299
+ count++
300
+ }
301
+ }
302
+
303
+ result[idx] = count > 0 ? sum / count : values[idx]
304
+ }
305
+
306
+ return result
307
+ }
308
+
309
+ // Savitzky-Golay filter coefficients for polynomial smoothing
310
+ // Uses least-squares polynomial fitting in each window
311
+ function compute_savgol_coefficients(window: number, order: number): number[] {
312
+ // Ensure window is odd
313
+ const half = Math.floor(window / 2)
314
+ const size = 2 * half + 1
315
+
316
+ // Build Vandermonde matrix for polynomial fitting
317
+ const vandermonde: number[][] = []
318
+ for (let idx = -half; idx <= half; idx++) {
319
+ const row: number[] = []
320
+ for (let power = 0; power <= order; power++) {
321
+ row.push(Math.pow(idx, power))
322
+ }
323
+ vandermonde.push(row)
324
+ }
325
+
326
+ // Compute (V^T V)^-1 V^T using simple pseudoinverse
327
+ // For smoothing, we only need the first row (constant term coefficients)
328
+ const vtv = multiply_matrices(transpose(vandermonde), vandermonde)
329
+ const vtv_inv = invert_matrix(vtv)
330
+ if (!vtv_inv) {
331
+ // Fallback to uniform weights
332
+ return Array(size).fill(1 / size)
333
+ }
334
+
335
+ const vt = transpose(vandermonde)
336
+ const coeffs_matrix = multiply_matrices(vtv_inv, vt)
337
+
338
+ // First row gives smoothing coefficients
339
+ return coeffs_matrix[0]
340
+ }
341
+
342
+ // Savitzky-Golay filter (derivative-preserving) - O(n * window)
343
+ export function smooth_savitzky_golay(
344
+ values: number[],
345
+ window: number,
346
+ polynomial_order: number = DEFAULT_POLYNOMIAL_ORDER,
347
+ ): number[] {
348
+ if (values.length === 0) return []
349
+
350
+ // Ensure window is odd and >= polynomial_order + 1
351
+ let actual_window = window % 2 === 0 ? window + 1 : window
352
+ actual_window = Math.max(actual_window, polynomial_order + 2)
353
+ actual_window = Math.min(actual_window, values.length)
354
+
355
+ if (actual_window < 3) return [...values]
356
+
357
+ const coeffs = compute_savgol_coefficients(actual_window, polynomial_order)
358
+ const half = Math.floor(actual_window / 2)
359
+ const result: number[] = Array(values.length)
360
+ // Cache coefficient sum to avoid O(n × window) redundant reductions in loop
361
+ const coeffs_sum = coeffs.reduce((a, b) => a + b, 0)
362
+
363
+ for (let idx = 0; idx < values.length; idx++) {
364
+ let [sum, weight_sum] = [0, 0]
365
+
366
+ for (let jdx = 0; jdx < actual_window; jdx++) {
367
+ const data_idx = idx - half + jdx
368
+ if (data_idx >= 0 && data_idx < values.length && Number.isFinite(values[data_idx])) {
369
+ sum += coeffs[jdx] * values[data_idx]
370
+ weight_sum += coeffs[jdx]
371
+ }
372
+ }
373
+
374
+ result[idx] = weight_sum !== 0 ? (sum / weight_sum) * coeffs_sum : values[idx]
375
+ }
376
+
377
+ return result
378
+ }
379
+
380
+ // Apply smoothing based on config
381
+ function apply_smoothing(
382
+ x_values: number[],
383
+ y_values: number[],
384
+ config: SmoothingConfig,
385
+ ): number[] {
386
+ if (config.type === `moving_avg`) {
387
+ return smooth_moving_average(y_values, config.window)
388
+ } else if (config.type === `savgol`) {
389
+ return smooth_savitzky_golay(
390
+ y_values,
391
+ config.window,
392
+ config.polynomial_order ?? DEFAULT_POLYNOMIAL_ORDER,
393
+ )
394
+ } else if (config.type === `gaussian`) {
395
+ return apply_gaussian_smearing(x_values, y_values, config.sigma)
396
+ }
397
+ return y_values
398
+ }
399
+
400
+ // --- Local Outlier Detection ---
401
+
402
+ // Default values for local outlier detection
403
+ const DEFAULT_LOCAL_WINDOW_HALF = 7
404
+ const DEFAULT_LOCAL_MAD_THRESHOLD = 2.0
405
+ const DEFAULT_LOCAL_MAX_ITERATIONS = 5
406
+
407
+ // Compute local median within a window, excluding the center point
408
+ // This allows detecting if the center point is an outlier relative to its neighbors
409
+ function compute_local_median_excluding_center(
410
+ values: number[],
411
+ center_idx: number,
412
+ window_half: number,
413
+ ): number {
414
+ const window_values: number[] = []
415
+ const start = Math.max(0, center_idx - window_half)
416
+ const end = Math.min(values.length - 1, center_idx + window_half)
417
+
418
+ for (let idx = start; idx <= end; idx++) {
419
+ if (idx !== center_idx && Number.isFinite(values[idx])) {
420
+ window_values.push(values[idx])
421
+ }
422
+ }
423
+
424
+ if (window_values.length === 0) return values[center_idx]
425
+ return median(window_values)
426
+ }
427
+
428
+ // Compute local MAD (median absolute deviation) within a window, excluding center
429
+ function compute_local_mad_excluding_center(
430
+ values: number[],
431
+ center_idx: number,
432
+ window_half: number,
433
+ local_median: number,
434
+ ): number {
435
+ const abs_devs: number[] = []
436
+ const start = Math.max(0, center_idx - window_half)
437
+ const end = Math.min(values.length - 1, center_idx + window_half)
438
+
439
+ for (let idx = start; idx <= end; idx++) {
440
+ if (idx !== center_idx && Number.isFinite(values[idx])) {
441
+ abs_devs.push(Math.abs(values[idx] - local_median))
442
+ }
443
+ }
444
+
445
+ if (abs_devs.length === 0) return 0
446
+ return median(abs_devs)
447
+ }
448
+
449
+ // Remove local outliers using iterative sliding window MAD-based detection
450
+ // Detects points that deviate significantly from their local neighborhood
451
+ // Returns only the indices to keep, preserving good data before AND after bad regions
452
+ export function remove_local_outliers(
453
+ y_values: readonly number[],
454
+ config: LocalOutlierConfig = {},
455
+ ): LocalOutlierResult {
456
+ const window_half = config.window_half ?? DEFAULT_LOCAL_WINDOW_HALF
457
+ const mad_threshold = config.mad_threshold ?? DEFAULT_LOCAL_MAD_THRESHOLD
458
+ const max_iterations = config.max_iterations ?? DEFAULT_LOCAL_MAX_ITERATIONS
459
+
460
+ const len = y_values.length
461
+ if (len === 0) {
462
+ return { kept_indices: [], removed_indices: [], iterations_used: 0 }
463
+ }
464
+
465
+ // Need enough neighbors for meaningful local statistics
466
+ const min_points_needed = window_half * 2 + 1
467
+ if (len < min_points_needed) {
468
+ return {
469
+ kept_indices: Array.from({ length: len }, (_, idx) => idx),
470
+ removed_indices: [],
471
+ iterations_used: 0,
472
+ }
473
+ }
474
+
475
+ let kept_mask = Array(len).fill(true)
476
+ let iterations_used = 0
477
+
478
+ for (let iter = 0; iter < max_iterations; iter++) {
479
+ let removed_any = false
480
+ const new_kept_mask = [...kept_mask]
481
+ // Note: Local statistics are computed from original values, not filtered values.
482
+ // This prevents cascading removals where one outlier's removal dramatically
483
+ // shifts statistics and causes false positives on neighboring points.
484
+ for (let idx = 0; idx < len; idx++) {
485
+ if (!kept_mask[idx]) continue // Already removed
486
+ if (!Number.isFinite(y_values[idx])) continue // Skip invalid values
487
+
488
+ const local_median = compute_local_median_excluding_center(
489
+ y_values as number[],
490
+ idx,
491
+ window_half,
492
+ )
493
+ const local_mad = compute_local_mad_excluding_center(
494
+ y_values as number[],
495
+ idx,
496
+ window_half,
497
+ local_median,
498
+ )
499
+
500
+ // Cannot compute robust threshold if MAD is zero (all neighbors identical)
501
+ if (local_mad === 0) continue
502
+
503
+ const threshold = local_mad * mad_threshold
504
+ const deviation = Math.abs(y_values[idx] - local_median)
505
+
506
+ if (deviation > threshold) {
507
+ new_kept_mask[idx] = false
508
+ removed_any = true
509
+ }
510
+ }
511
+
512
+ kept_mask = new_kept_mask
513
+ iterations_used = iter + 1
514
+
515
+ if (!removed_any) break
516
+ }
517
+
518
+ const kept_indices: number[] = []
519
+ const removed_indices: number[] = []
520
+
521
+ for (let idx = 0; idx < len; idx++) {
522
+ if (kept_mask[idx]) {
523
+ kept_indices.push(idx)
524
+ } else {
525
+ removed_indices.push(idx)
526
+ }
527
+ }
528
+
529
+ return { kept_indices, removed_indices, iterations_used }
530
+ }
531
+
532
+ // --- Helper Functions ---
533
+
534
+ // Handle NaN/Infinity based on mode
535
+ export function handle_invalid_values(
536
+ values: number[],
537
+ mode: InvalidValueMode,
538
+ ): { cleaned: number[]; removed_indices: number[]; invalid_count: number } {
539
+ const removed_indices: number[] = []
540
+ let invalid_count = 0
541
+
542
+ if (mode === `propagate`) {
543
+ for (const val of values) {
544
+ if (!Number.isFinite(val)) invalid_count++
545
+ }
546
+ return { cleaned: [...values], removed_indices: [], invalid_count }
547
+ }
548
+
549
+ if (mode === `remove`) {
550
+ const cleaned: number[] = []
551
+ for (let idx = 0; idx < values.length; idx++) {
552
+ if (Number.isFinite(values[idx])) {
553
+ cleaned.push(values[idx])
554
+ } else {
555
+ removed_indices.push(idx)
556
+ invalid_count++
557
+ }
558
+ }
559
+ return { cleaned, removed_indices, invalid_count }
560
+ }
561
+
562
+ // Interpolate mode
563
+ const cleaned = [...values]
564
+ for (let idx = 0; idx < cleaned.length; idx++) {
565
+ if (!Number.isFinite(cleaned[idx])) {
566
+ invalid_count++
567
+ // Find nearest valid neighbors
568
+ let left_idx = idx - 1
569
+ while (left_idx >= 0 && !Number.isFinite(cleaned[left_idx])) left_idx--
570
+
571
+ let right_idx = idx + 1
572
+ while (right_idx < cleaned.length && !Number.isFinite(cleaned[right_idx])) {
573
+ right_idx++
574
+ }
575
+
576
+ if (left_idx >= 0 && right_idx < cleaned.length) {
577
+ // Linear interpolation
578
+ const t = (idx - left_idx) / (right_idx - left_idx)
579
+ cleaned[idx] = cleaned[left_idx] + t * (cleaned[right_idx] - cleaned[left_idx])
580
+ } else if (left_idx >= 0) {
581
+ cleaned[idx] = cleaned[left_idx]
582
+ } else if (right_idx < cleaned.length) {
583
+ cleaned[idx] = cleaned[right_idx]
584
+ } else {
585
+ cleaned[idx] = 0
586
+ }
587
+ }
588
+ }
589
+
590
+ return { cleaned, removed_indices: [], invalid_count }
591
+ }
592
+
593
+ // Apply physical bounds
594
+ export function apply_bounds(
595
+ x_values: readonly number[],
596
+ y_values: number[],
597
+ bounds: PhysicalBounds,
598
+ ): { y: number[]; violations: number; filtered_indices: number[] } {
599
+ const result = [...y_values]
600
+ const filtered_indices: number[] = []
601
+ let violations = 0
602
+
603
+ for (let idx = 0; idx < result.length; idx++) {
604
+ const x_val = x_values[idx]
605
+ const y_val = result[idx]
606
+
607
+ const min_bound = typeof bounds.min === `function` ? bounds.min(x_val) : bounds.min
608
+ const max_bound = typeof bounds.max === `function` ? bounds.max(x_val) : bounds.max
609
+
610
+ let violated = false
611
+ if (min_bound !== undefined && y_val < min_bound) violated = true
612
+ if (max_bound !== undefined && y_val > max_bound) violated = true
613
+
614
+ if (violated) {
615
+ violations++
616
+ const mode = bounds.mode ?? `clamp`
617
+
618
+ if (mode === `clamp`) {
619
+ if (min_bound !== undefined && y_val < min_bound) result[idx] = min_bound
620
+ if (max_bound !== undefined && y_val > max_bound) result[idx] = max_bound
621
+ } else if (mode === `filter`) {
622
+ filtered_indices.push(idx)
623
+ } else if (mode === `null`) {
624
+ result[idx] = NaN
625
+ }
626
+ }
627
+ }
628
+
629
+ return { y: result, violations, filtered_indices }
630
+ }
631
+
632
+ // Sync metadata arrays with filtered data
633
+ export function sync_metadata<M>(
634
+ metadata: M[] | M | undefined,
635
+ kept_indices: number[],
636
+ ): M[] | M | undefined {
637
+ if (metadata === undefined) return undefined
638
+ if (!Array.isArray(metadata)) return metadata // Scalar metadata unchanged
639
+
640
+ return kept_indices.map((idx) => metadata[idx])
641
+ }
642
+
643
+ // Filter arrays by kept indices
644
+ function filter_by_indices<T>(arr: readonly T[], kept_indices: number[]): T[] {
645
+ return kept_indices.map((idx) => arr[idx])
646
+ }
647
+
648
+ // Check if value is within bounds (static or x-dependent)
649
+ function is_in_bounds(val: number, x_val: number, bounds: PhysicalBounds): boolean {
650
+ const min = typeof bounds.min === `function` ? bounds.min(x_val) : bounds.min
651
+ const max = typeof bounds.max === `function` ? bounds.max(x_val) : bounds.max
652
+ if (min !== undefined && val < min) return false
653
+ if (max !== undefined && val > max) return false
654
+ return true
655
+ }
656
+
657
+ // Compute kept indices by excluding removed indices
658
+ function kept_indices_excluding(length: number, removed: number[]): number[] {
659
+ const removed_set = new Set(removed)
660
+ return Array.from({ length }, (_, idx) => idx).filter((idx) => !removed_set.has(idx))
661
+ }
662
+
663
+ // --- Main API ---
664
+
665
+ // Clean a single series - main entry point
666
+ export function clean_series<T extends DataSeries>(
667
+ series: T,
668
+ config: CleaningConfig = {},
669
+ ): CleaningResult<T> {
670
+ const in_place = config.in_place ?? true
671
+ const invalid_mode = config.invalid_values ?? `remove`
672
+ const truncation_mode = config.truncation_mode ?? `mark_unstable`
673
+
674
+ // Always work with copies initially
675
+ let x_arr = [...series.x]
676
+ let y_arr = [...series.y]
677
+ let metadata = series.metadata
678
+ let color_values = series.color_values ? [...series.color_values] : undefined
679
+ let size_values = series.size_values ? [...series.size_values] : undefined
680
+
681
+ const quality: CleaningQuality = {
682
+ points_removed: 0,
683
+ invalid_values_found: 0,
684
+ oscillation_detected: false,
685
+ bounds_violations: 0,
686
+ }
687
+
688
+ // Helper to apply filtering to all arrays
689
+ const apply_filter = (kept: number[], removed_count: number) => {
690
+ x_arr = filter_by_indices(x_arr, kept)
691
+ y_arr = filter_by_indices(y_arr, kept)
692
+ if (Array.isArray(metadata)) {
693
+ metadata = filter_by_indices(metadata, kept)
694
+ }
695
+ if (color_values) color_values = filter_by_indices(color_values, kept)
696
+ if (size_values) size_values = filter_by_indices(size_values, kept)
697
+ quality.points_removed += removed_count
698
+ }
699
+
700
+ // Step 1: Handle invalid values
701
+ const invalid_result = handle_invalid_values(y_arr, invalid_mode)
702
+ quality.invalid_values_found = invalid_result.invalid_count
703
+
704
+ if (invalid_mode === `remove` && invalid_result.removed_indices.length > 0) {
705
+ const kept = kept_indices_excluding(x_arr.length, invalid_result.removed_indices)
706
+ apply_filter(kept, invalid_result.removed_indices.length)
707
+ } else {
708
+ y_arr = invalid_result.cleaned
709
+ }
710
+
711
+ // Step 2: Apply physical bounds
712
+ if (config.bounds) {
713
+ const bounds_result = apply_bounds(x_arr, y_arr, config.bounds)
714
+ y_arr = bounds_result.y
715
+ quality.bounds_violations = bounds_result.violations
716
+
717
+ if (config.bounds.mode === `filter` && bounds_result.filtered_indices.length > 0) {
718
+ const kept = kept_indices_excluding(x_arr.length, bounds_result.filtered_indices)
719
+ apply_filter(kept, bounds_result.filtered_indices.length)
720
+ }
721
+ }
722
+
723
+ // Step 3: Remove local outliers (if configured)
724
+ if (config.local_outliers) {
725
+ const outlier_result = remove_local_outliers(y_arr, config.local_outliers)
726
+ quality.outliers_removed = outlier_result.removed_indices.length
727
+
728
+ if (outlier_result.removed_indices.length > 0) {
729
+ apply_filter(outlier_result.kept_indices, outlier_result.removed_indices.length)
730
+ }
731
+ }
732
+
733
+ // Step 4: Apply smoothing
734
+ if (config.smooth) {
735
+ y_arr = apply_smoothing(x_arr, y_arr, config.smooth)
736
+ }
737
+
738
+ // Step 5: Detect instability
739
+ const instability = detect_instability(x_arr, y_arr, config)
740
+ quality.oscillation_detected = instability.detected
741
+ quality.oscillation_score = instability.combined_score
742
+
743
+ if (instability.detected && instability.onset_index >= 0) {
744
+ if (truncation_mode === `hard_cut`) {
745
+ const kept = Array.from({ length: instability.onset_index }, (_, idx) => idx)
746
+ quality.truncated_at_x = instability.onset_x
747
+ apply_filter(kept, x_arr.length - instability.onset_index)
748
+ } else {
749
+ quality.stable_range = [x_arr[0], instability.onset_x]
750
+ }
751
+ }
752
+
753
+ // Build result series
754
+ const result_series = in_place ? series : { ...series }
755
+ ;(result_series as DataSeries).x = x_arr
756
+ ;(result_series as DataSeries).y = y_arr
757
+ if (metadata !== undefined) (result_series as DataSeries).metadata = metadata
758
+ if (color_values) (result_series as DataSeries).color_values = color_values
759
+ if (size_values) (result_series as DataSeries).size_values = size_values
760
+
761
+ return { series: result_series, quality }
762
+ }
763
+
764
+ // Clean multiple y-series with shared x, filtering to intersection of valid indices
765
+ export function clean_multi_series(
766
+ x_values: readonly number[],
767
+ y_arrays: number[][],
768
+ config: CleaningConfig = {},
769
+ ): { x: number[]; cleaned_y: number[][]; quality: CleaningQuality[] } {
770
+ if (y_arrays.length === 0) {
771
+ return { x: [...x_values], cleaned_y: [], quality: [] }
772
+ }
773
+
774
+ const invalid_mode = config.invalid_values ?? `remove`
775
+ const length = Math.min(x_values.length, ...y_arrays.map((arr) => arr.length))
776
+ const { bounds, smooth } = config
777
+
778
+ // Find indices valid across ALL y series (remove mode filters invalid values)
779
+ let kept_indices = Array.from({ length }, (_, idx) => idx)
780
+ if (invalid_mode === `remove`) {
781
+ kept_indices = kept_indices.filter((idx) =>
782
+ y_arrays.every((y_arr) => Number.isFinite(y_arr[idx])),
783
+ )
784
+ }
785
+
786
+ // Apply bounds filter across all series
787
+ if (bounds?.mode === `filter`) {
788
+ kept_indices = kept_indices.filter((idx) => {
789
+ const x_val = x_values[idx]
790
+ return y_arrays.every((y_arr) => is_in_bounds(y_arr[idx], x_val, bounds))
791
+ })
792
+ }
793
+
794
+ const filtered_x = kept_indices.map((idx) => x_values[idx])
795
+ const cleaned_y: number[][] = []
796
+ const quality_reports: CleaningQuality[] = []
797
+
798
+ for (const y_arr of y_arrays) {
799
+ let filtered_y = kept_indices.map((idx) => y_arr[idx])
800
+ // Count invalid values only in aligned prefix (not beyond length)
801
+ let invalid_count = 0
802
+ for (let idx = 0; idx < length; idx++) {
803
+ if (!Number.isFinite(y_arr[idx])) invalid_count++
804
+ }
805
+ const quality: CleaningQuality = {
806
+ points_removed: length - kept_indices.length,
807
+ invalid_values_found: invalid_count,
808
+ oscillation_detected: false,
809
+ bounds_violations: 0,
810
+ }
811
+
812
+ if (invalid_mode === `interpolate`) {
813
+ filtered_y = handle_invalid_values(filtered_y, `interpolate`).cleaned
814
+ }
815
+ if (bounds && bounds.mode !== `filter`) {
816
+ const result = apply_bounds(filtered_x, filtered_y, bounds)
817
+ filtered_y = result.y
818
+ quality.bounds_violations = result.violations
819
+ }
820
+ if (smooth) {
821
+ filtered_y = apply_smoothing(filtered_x, filtered_y, smooth)
822
+ }
823
+
824
+ cleaned_y.push(filtered_y)
825
+ quality_reports.push(quality)
826
+ }
827
+
828
+ return { x: filtered_x, cleaned_y, quality: quality_reports }
829
+ }
830
+
831
+ // Clean correlated x/y/z for 3D data
832
+ // All three arrays are filtered to the intersection of valid indices
833
+ export function clean_xyz(
834
+ x_values: readonly number[],
835
+ y_values: readonly number[],
836
+ z_values: readonly number[],
837
+ config: CleaningConfig & { primary_axis?: `x` | `y` | `z` } = {},
838
+ ): { x: number[]; y: number[]; z: number[]; quality: CleaningQuality } {
839
+ const invalid_mode = config.invalid_values ?? `remove`
840
+ const length = Math.min(x_values.length, y_values.length, z_values.length)
841
+
842
+ const all_arrays = [x_values, y_values, z_values] as const
843
+ const { bounds, smooth } = config
844
+
845
+ // Count invalid values across all arrays
846
+ let invalid_count = 0
847
+ for (let idx = 0; idx < length; idx++) {
848
+ if (!all_arrays.every((arr) => Number.isFinite(arr[idx]))) invalid_count++
849
+ }
850
+
851
+ // Find indices where ALL values are valid (remove mode filters)
852
+ let kept_indices = Array.from({ length }, (_, idx) => idx)
853
+ if (invalid_mode === `remove`) {
854
+ kept_indices = kept_indices.filter((idx) =>
855
+ all_arrays.every((arr) => Number.isFinite(arr[idx])),
856
+ )
857
+ }
858
+
859
+ let filtered = {
860
+ x: kept_indices.map((idx) => x_values[idx]),
861
+ y: kept_indices.map((idx) => y_values[idx]),
862
+ z: kept_indices.map((idx) => z_values[idx]),
863
+ }
864
+
865
+ const quality: CleaningQuality = {
866
+ points_removed: length - kept_indices.length,
867
+ invalid_values_found: invalid_count,
868
+ oscillation_detected: false,
869
+ bounds_violations: 0,
870
+ }
871
+
872
+ if (invalid_mode === `interpolate`) {
873
+ filtered.x = handle_invalid_values(filtered.x, `interpolate`).cleaned
874
+ filtered.y = handle_invalid_values(filtered.y, `interpolate`).cleaned
875
+ filtered.z = handle_invalid_values(filtered.z, `interpolate`).cleaned
876
+ }
877
+
878
+ // Apply bounds filter on primary axis
879
+ if (bounds?.mode === `filter`) {
880
+ const primary = config.primary_axis ?? `x`
881
+ const bounds_kept: number[] = []
882
+ for (let idx = 0; idx < filtered.x.length; idx++) {
883
+ const primary_val = filtered[primary][idx]
884
+ // Use x-axis value for dynamic bounds computation (e.g., max: (x_val) => x_val * 2)
885
+ if (is_in_bounds(primary_val, filtered.x[idx], bounds)) {
886
+ bounds_kept.push(idx)
887
+ } else {
888
+ quality.bounds_violations++
889
+ }
890
+ }
891
+ filtered = {
892
+ x: bounds_kept.map((idx) => filtered.x[idx]),
893
+ y: bounds_kept.map((idx) => filtered.y[idx]),
894
+ z: bounds_kept.map((idx) => filtered.z[idx]),
895
+ }
896
+ quality.points_removed += kept_indices.length - bounds_kept.length
897
+ }
898
+
899
+ // Smooth dependent axes (y, z) using x as independent reference
900
+ // x-axis is never smoothed as it's typically the independent variable (time, index, etc.)
901
+ if (smooth) {
902
+ filtered.y = apply_smoothing(filtered.x, filtered.y, smooth)
903
+ filtered.z = apply_smoothing(filtered.x, filtered.z, smooth)
904
+ }
905
+
906
+ return { ...filtered, quality }
907
+ }
908
+
909
+ // Clean trajectory properties, filtering to intersection of valid indices
910
+ export function clean_trajectory_props(
911
+ props: Record<string, number[]>,
912
+ config: CleaningConfig & { independent_axis?: string } = {},
913
+ ): { props: Record<string, number[]>; quality: Record<string, CleaningQuality> } {
914
+ const entries = Object.entries(props)
915
+ if (entries.length === 0) {
916
+ return { props: {}, quality: {} }
917
+ }
918
+
919
+ const independent_axis = config.independent_axis ?? `Step`
920
+ const invalid_mode = config.invalid_values ?? `remove`
921
+ const { smooth } = config
922
+ const length = Math.min(...entries.map(([, arr]) => arr.length))
923
+
924
+ // Use existing or generate independent axis
925
+ const x_values = props[independent_axis] ?? Array.from({ length }, (_, idx) => idx)
926
+
927
+ // Count invalid values per property (only within aligned prefix)
928
+ const invalid_counts: Record<string, number> = Object.fromEntries(
929
+ entries.map(([key, arr]) => {
930
+ let count = 0
931
+ for (let idx = 0; idx < length; idx++) {
932
+ if (!Number.isFinite(arr[idx])) count++
933
+ }
934
+ return [key, count]
935
+ }),
936
+ )
937
+
938
+ // Find indices valid across ALL properties (remove mode filters)
939
+ let kept_indices = Array.from({ length }, (_, idx) => idx)
940
+ if (invalid_mode === `remove`) {
941
+ kept_indices = kept_indices.filter((idx) =>
942
+ entries.every(([, arr]) => Number.isFinite(arr[idx])),
943
+ )
944
+ }
945
+
946
+ const filtered_x = kept_indices.map((idx) => x_values[idx])
947
+ const result_props: Record<string, number[]> = {}
948
+ const quality_reports: Record<string, CleaningQuality> = {}
949
+
950
+ for (const [key, arr] of entries) {
951
+ let filtered = kept_indices.map((idx) => arr[idx])
952
+ const quality: CleaningQuality = {
953
+ points_removed: length - kept_indices.length,
954
+ invalid_values_found: invalid_counts[key],
955
+ oscillation_detected: false,
956
+ bounds_violations: 0,
957
+ }
958
+
959
+ if (invalid_mode === `interpolate`) {
960
+ filtered = handle_invalid_values(filtered, `interpolate`).cleaned
961
+ }
962
+ if (smooth && key !== independent_axis) {
963
+ filtered = apply_smoothing(filtered_x, filtered, smooth)
964
+ }
965
+
966
+ result_props[key] = filtered
967
+ quality_reports[key] = quality
968
+ }
969
+
970
+ // Add independent axis if not in original props
971
+ if (!props[independent_axis]) {
972
+ result_props[independent_axis] = filtered_x
973
+ quality_reports[independent_axis] = {
974
+ points_removed: length - kept_indices.length,
975
+ invalid_values_found: 0,
976
+ oscillation_detected: false,
977
+ bounds_violations: 0,
978
+ }
979
+ }
980
+
981
+ return { props: result_props, quality: quality_reports }
982
+ }
983
+
984
+ // --- Utility Functions ---
985
+
986
+ function median(values: number[]): number {
987
+ if (values.length === 0) return 0
988
+ const sorted = [...values].sort((a, b) => a - b)
989
+ const mid = Math.floor(sorted.length / 2)
990
+ return sorted.length % 2 !== 0 ? sorted[mid] : (sorted[mid - 1] + sorted[mid]) / 2
991
+ }
992
+
993
+ // Simple matrix operations for Savitzky-Golay
994
+ function transpose(matrix: number[][]): number[][] {
995
+ if (matrix.length === 0) return []
996
+ const rows = matrix.length
997
+ const cols = matrix[0].length
998
+ const result: number[][] = Array.from({ length: cols }, () => Array(rows).fill(0))
999
+ for (let row = 0; row < rows; row++) {
1000
+ for (let col = 0; col < cols; col++) {
1001
+ result[col][row] = matrix[row][col]
1002
+ }
1003
+ }
1004
+ return result
1005
+ }
1006
+
1007
+ function multiply_matrices(a: number[][], b: number[][]): number[][] {
1008
+ const rows_a = a.length
1009
+ const cols_a = a[0]?.length ?? 0
1010
+ const cols_b = b[0]?.length ?? 0
1011
+
1012
+ const result: number[][] = Array.from({ length: rows_a }, () => Array(cols_b).fill(0))
1013
+
1014
+ for (let row = 0; row < rows_a; row++) {
1015
+ for (let col = 0; col < cols_b; col++) {
1016
+ for (let k = 0; k < cols_a; k++) {
1017
+ result[row][col] += a[row][k] * b[k][col]
1018
+ }
1019
+ }
1020
+ }
1021
+
1022
+ return result
1023
+ }
1024
+
1025
+ function invert_matrix(matrix: number[][]): number[][] | null {
1026
+ const n = matrix.length
1027
+ if (n === 0 || matrix[0].length !== n) return null
1028
+
1029
+ // Create augmented matrix [A | I]
1030
+ const aug: number[][] = matrix.map((row, idx) => [
1031
+ ...row,
1032
+ ...Array.from({ length: n }, (_, jdx) => (idx === jdx ? 1 : 0)),
1033
+ ])
1034
+
1035
+ // Gaussian elimination with partial pivoting
1036
+ for (let col = 0; col < n; col++) {
1037
+ // Find pivot
1038
+ let max_row = col
1039
+ for (let row = col + 1; row < n; row++) {
1040
+ if (Math.abs(aug[row][col]) > Math.abs(aug[max_row][col])) {
1041
+ max_row = row
1042
+ }
1043
+ }
1044
+
1045
+ if (Math.abs(aug[max_row][col]) < 1e-10) {
1046
+ return null // Singular
1047
+ } // Swap rows
1048
+
1049
+ ;[aug[col], aug[max_row]] = [aug[max_row], aug[col]]
1050
+
1051
+ // Eliminate column
1052
+ const pivot = aug[col][col]
1053
+ for (let jdx = 0; jdx < 2 * n; jdx++) {
1054
+ aug[col][jdx] /= pivot
1055
+ }
1056
+
1057
+ for (let row = 0; row < n; row++) {
1058
+ if (row !== col) {
1059
+ const factor = aug[row][col]
1060
+ for (let jdx = 0; jdx < 2 * n; jdx++) {
1061
+ aug[row][jdx] -= factor * aug[col][jdx]
1062
+ }
1063
+ }
1064
+ }
1065
+ }
1066
+
1067
+ // Extract inverse
1068
+ return aug.map((row) => row.slice(n))
1069
+ }