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.
- package/.vscode/launch.json +13 -0
- package/.vscodeignore +7 -0
- package/dist/assets/STLExporter-BpTH3YHE.js +8 -0
- package/dist/assets/browser-DdDecX_W.js +1 -0
- package/dist/assets/export-qgn-H9y6.js +2 -0
- package/dist/assets/main-DiKYzti2.css +1 -0
- package/dist/assets/moyo_wasm_bg-0ocwg7xY.wasm +0 -0
- package/dist/extension.js +31293 -0
- package/dist/src/lib/FilePicker.svelte +360 -0
- package/dist/src/lib/MillerIndexInput.svelte +66 -0
- package/dist/src/lib/api/mp.ts +26 -0
- package/dist/src/lib/api/optimade.ts +204 -0
- package/dist/src/lib/app.css +247 -0
- package/dist/src/lib/brillouin/BrillouinZone.svelte +549 -0
- package/dist/src/lib/brillouin/BrillouinZoneControls.svelte +144 -0
- package/dist/src/lib/brillouin/BrillouinZoneExportPane.svelte +146 -0
- package/dist/src/lib/brillouin/BrillouinZoneInfoPane.svelte +146 -0
- package/dist/src/lib/brillouin/BrillouinZoneScene.svelte +476 -0
- package/dist/src/lib/brillouin/BrillouinZoneTooltip.svelte +92 -0
- package/dist/src/lib/brillouin/compute.ts +529 -0
- package/dist/src/lib/brillouin/index.ts +8 -0
- package/dist/src/lib/brillouin/types.ts +51 -0
- package/dist/src/lib/chempot-diagram/ChemPotDiagram.svelte +327 -0
- package/dist/src/lib/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
- package/dist/src/lib/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
- package/dist/src/lib/chempot-diagram/async-compute.svelte.ts +94 -0
- package/dist/src/lib/chempot-diagram/chempot-worker.ts +11 -0
- package/dist/src/lib/chempot-diagram/color.ts +42 -0
- package/dist/src/lib/chempot-diagram/compute.ts +1014 -0
- package/dist/src/lib/chempot-diagram/index.ts +6 -0
- package/dist/src/lib/chempot-diagram/pointer.ts +56 -0
- package/dist/src/lib/chempot-diagram/temperature.ts +77 -0
- package/dist/src/lib/chempot-diagram/types.ts +130 -0
- package/dist/src/lib/colors/index.ts +249 -0
- package/dist/src/lib/composition/BarChart.svelte +297 -0
- package/dist/src/lib/composition/BubbleChart.svelte +218 -0
- package/dist/src/lib/composition/Composition.svelte +165 -0
- package/dist/src/lib/composition/Formula.svelte +268 -0
- package/dist/src/lib/composition/FormulaFilter.svelte +1257 -0
- package/dist/src/lib/composition/PieChart.svelte +323 -0
- package/dist/src/lib/composition/format.ts +155 -0
- package/dist/src/lib/composition/index.ts +37 -0
- package/dist/src/lib/composition/parse.ts +605 -0
- package/dist/src/lib/constants.ts +134 -0
- package/dist/src/lib/controls.ts +42 -0
- package/dist/src/lib/convex-hull/ConvexHull.svelte +157 -0
- package/dist/src/lib/convex-hull/ConvexHull2D.svelte +825 -0
- package/dist/src/lib/convex-hull/ConvexHull3D.svelte +1801 -0
- package/dist/src/lib/convex-hull/ConvexHull4D.svelte +1398 -0
- package/dist/src/lib/convex-hull/ConvexHullControls.svelte +535 -0
- package/dist/src/lib/convex-hull/ConvexHullInfoPane.svelte +125 -0
- package/dist/src/lib/convex-hull/ConvexHullStats.svelte +929 -0
- package/dist/src/lib/convex-hull/ConvexHullTooltip.svelte +131 -0
- package/dist/src/lib/convex-hull/GasPressureControls.svelte +247 -0
- package/dist/src/lib/convex-hull/StructurePopup.svelte +151 -0
- package/dist/src/lib/convex-hull/TemperatureSlider.svelte +140 -0
- package/dist/src/lib/convex-hull/barycentric-coords.ts +246 -0
- package/dist/src/lib/convex-hull/demo-temperature.ts +63 -0
- package/dist/src/lib/convex-hull/gas-thermodynamics.ts +405 -0
- package/dist/src/lib/convex-hull/helpers.ts +932 -0
- package/dist/src/lib/convex-hull/index.ts +202 -0
- package/dist/src/lib/convex-hull/thermodynamics.ts +2192 -0
- package/dist/src/lib/convex-hull/types.ts +267 -0
- package/dist/src/lib/coordination/CoordinationBarPlot.svelte +311 -0
- package/dist/src/lib/coordination/calc-coordination.ts +93 -0
- package/dist/src/lib/coordination/index.ts +9 -0
- package/dist/src/lib/effects.svelte.ts +48 -0
- package/dist/src/lib/element/BohrAtom.svelte +147 -0
- package/dist/src/lib/element/ElementHeading.svelte +26 -0
- package/dist/src/lib/element/ElementPhoto.svelte +57 -0
- package/dist/src/lib/element/ElementStats.svelte +80 -0
- package/dist/src/lib/element/ElementTile.svelte +484 -0
- package/dist/src/lib/element/data.json.gz.d.ts +4 -0
- package/dist/src/lib/element/data.ts +14 -0
- package/dist/src/lib/element/index.ts +8 -0
- package/dist/src/lib/element/types.ts +62 -0
- package/dist/src/lib/feedback/ClickFeedback.svelte +58 -0
- package/dist/src/lib/feedback/DragOverlay.svelte +42 -0
- package/dist/src/lib/feedback/index.ts +4 -0
- package/dist/src/lib/fermi-surface/FermiSlice.svelte +189 -0
- package/dist/src/lib/fermi-surface/FermiSurface.svelte +600 -0
- package/dist/src/lib/fermi-surface/FermiSurfaceControls.svelte +448 -0
- package/dist/src/lib/fermi-surface/FermiSurfaceScene.svelte +794 -0
- package/dist/src/lib/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
- package/dist/src/lib/fermi-surface/compute.ts +728 -0
- package/dist/src/lib/fermi-surface/constants.ts +32 -0
- package/dist/src/lib/fermi-surface/export.ts +64 -0
- package/dist/src/lib/fermi-surface/index.ts +14 -0
- package/dist/src/lib/fermi-surface/marching-cubes.ts +3 -0
- package/dist/src/lib/fermi-surface/parse.ts +574 -0
- package/dist/src/lib/fermi-surface/symmetry.ts +56 -0
- package/dist/src/lib/fermi-surface/types.ts +159 -0
- package/dist/src/lib/heatmap-matrix/HeatmapMatrix.svelte +1545 -0
- package/dist/src/lib/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
- package/dist/src/lib/heatmap-matrix/index.ts +167 -0
- package/dist/src/lib/heatmap-matrix/shared.ts +7 -0
- package/dist/src/lib/icons.ts +650 -0
- package/dist/src/lib/index.ts +61 -0
- package/dist/src/lib/io/decompress.ts +92 -0
- package/dist/src/lib/io/export.ts +385 -0
- package/dist/src/lib/io/fetch.ts +46 -0
- package/dist/src/lib/io/file-drop.ts +51 -0
- package/dist/src/lib/io/index.ts +7 -0
- package/dist/src/lib/io/is-binary.ts +24 -0
- package/dist/src/lib/io/types.ts +8 -0
- package/dist/src/lib/io/url-drop.ts +141 -0
- package/dist/src/lib/isosurface/Isosurface.svelte +285 -0
- package/dist/src/lib/isosurface/IsosurfaceControls.svelte +277 -0
- package/dist/src/lib/isosurface/index.ts +7 -0
- package/dist/src/lib/isosurface/parse.ts +656 -0
- package/dist/src/lib/isosurface/slice.ts +175 -0
- package/dist/src/lib/isosurface/types.ts +309 -0
- package/dist/src/lib/labels.ts +320 -0
- package/dist/src/lib/layout/FullscreenToggle.svelte +50 -0
- package/dist/src/lib/layout/InfoCard.svelte +120 -0
- package/dist/src/lib/layout/InfoTag.svelte +185 -0
- package/dist/src/lib/layout/PropertyFilter.svelte +246 -0
- package/dist/src/lib/layout/SettingsSection.svelte +148 -0
- package/dist/src/lib/layout/SubpageGrid.svelte +82 -0
- package/dist/src/lib/layout/fullscreen.ts +65 -0
- package/dist/src/lib/layout/index.ts +11 -0
- package/dist/src/lib/layout/json-tree/JsonNode.svelte +548 -0
- package/dist/src/lib/layout/json-tree/JsonTree.svelte +1230 -0
- package/dist/src/lib/layout/json-tree/JsonValue.svelte +334 -0
- package/dist/src/lib/layout/json-tree/index.ts +3 -0
- package/dist/src/lib/layout/json-tree/types.ts +126 -0
- package/dist/src/lib/layout/json-tree/utils.ts +682 -0
- package/dist/src/lib/marching-cubes.ts +614 -0
- package/dist/src/lib/math.ts +1081 -0
- package/dist/src/lib/overlays/ContextMenu.svelte +162 -0
- package/dist/src/lib/overlays/CopyButton.svelte +45 -0
- package/dist/src/lib/overlays/DragControlTab.svelte +98 -0
- package/dist/src/lib/overlays/DraggablePane.svelte +487 -0
- package/dist/src/lib/overlays/InfoPaneCards.svelte +149 -0
- package/dist/src/lib/overlays/index.ts +3 -0
- package/dist/src/lib/periodic-table/PeriodicTable.svelte +469 -0
- package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +557 -0
- package/dist/src/lib/periodic-table/PropertySelect.svelte +37 -0
- package/dist/src/lib/periodic-table/index.ts +12 -0
- package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +444 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
- package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +203 -0
- package/dist/src/lib/phase-diagram/build-diagram.ts +186 -0
- package/dist/src/lib/phase-diagram/colors.ts +58 -0
- package/dist/src/lib/phase-diagram/diagram-input.ts +40 -0
- package/dist/src/lib/phase-diagram/index.ts +13 -0
- package/dist/src/lib/phase-diagram/parse.ts +348 -0
- package/dist/src/lib/phase-diagram/svg-to-diagram.ts +1023 -0
- package/dist/src/lib/phase-diagram/types.ts +144 -0
- package/dist/src/lib/phase-diagram/utils.ts +775 -0
- package/dist/src/lib/plot/AxisLabel.svelte +51 -0
- package/dist/src/lib/plot/BarPlot.svelte +2113 -0
- package/dist/src/lib/plot/BarPlotControls.svelte +66 -0
- package/dist/src/lib/plot/BinnedScatterPlot.svelte +1114 -0
- package/dist/src/lib/plot/ColorBar.svelte +721 -0
- package/dist/src/lib/plot/ColorScaleSelect.svelte +54 -0
- package/dist/src/lib/plot/ElementScatter.svelte +63 -0
- package/dist/src/lib/plot/FillArea.svelte +223 -0
- package/dist/src/lib/plot/Histogram.svelte +1558 -0
- package/dist/src/lib/plot/HistogramControls.svelte +212 -0
- package/dist/src/lib/plot/InteractiveAxisLabel.svelte +96 -0
- package/dist/src/lib/plot/Line.svelte +84 -0
- package/dist/src/lib/plot/PlotAxis.svelte +169 -0
- package/dist/src/lib/plot/PlotControls.svelte +537 -0
- package/dist/src/lib/plot/PlotLegend.svelte +569 -0
- package/dist/src/lib/plot/PlotTooltip.svelte +67 -0
- package/dist/src/lib/plot/PortalSelect.svelte +253 -0
- package/dist/src/lib/plot/ReferenceLine3D.svelte +156 -0
- package/dist/src/lib/plot/ReferencePlane.svelte +175 -0
- package/dist/src/lib/plot/ScatterPlot.svelte +2778 -0
- package/dist/src/lib/plot/ScatterPlot3D.svelte +529 -0
- package/dist/src/lib/plot/ScatterPlot3DControls.svelte +437 -0
- package/dist/src/lib/plot/ScatterPlot3DScene.svelte +912 -0
- package/dist/src/lib/plot/ScatterPlotControls.svelte +306 -0
- package/dist/src/lib/plot/ScatterPoint.svelte +182 -0
- package/dist/src/lib/plot/SpacegroupBarPlot.svelte +293 -0
- package/dist/src/lib/plot/Surface3D.svelte +197 -0
- package/dist/src/lib/plot/ZeroLines.svelte +97 -0
- package/dist/src/lib/plot/ZoomRect.svelte +23 -0
- package/dist/src/lib/plot/adaptive-density.ts +316 -0
- package/dist/src/lib/plot/auto-place.ts +184 -0
- package/dist/src/lib/plot/axis-utils.ts +122 -0
- package/dist/src/lib/plot/binned-scatter-types.ts +83 -0
- package/dist/src/lib/plot/data-cleaning.ts +1069 -0
- package/dist/src/lib/plot/data-transform.ts +69 -0
- package/dist/src/lib/plot/defaults.ts +9 -0
- package/dist/src/lib/plot/fill-utils.ts +494 -0
- package/dist/src/lib/plot/hover-lock.svelte.ts +60 -0
- package/dist/src/lib/plot/index.ts +53 -0
- package/dist/src/lib/plot/interactions.ts +119 -0
- package/dist/src/lib/plot/layout.ts +425 -0
- package/dist/src/lib/plot/reference-line.ts +426 -0
- package/dist/src/lib/plot/scales.ts +654 -0
- package/dist/src/lib/plot/svg.ts +23 -0
- package/dist/src/lib/plot/types.ts +1144 -0
- package/dist/src/lib/plot/utils/label-placement.ts +541 -0
- package/dist/src/lib/plot/utils/series-visibility.ts +140 -0
- package/dist/src/lib/plot/utils.ts +11 -0
- package/dist/src/lib/rdf/RdfPlot.svelte +247 -0
- package/dist/src/lib/rdf/calc-rdf.ts +167 -0
- package/dist/src/lib/rdf/index.ts +27 -0
- package/dist/src/lib/sanitize.ts +126 -0
- package/dist/src/lib/settings.ts +1479 -0
- package/dist/src/lib/spectral/Bands.svelte +1040 -0
- package/dist/src/lib/spectral/BandsAndDos.svelte +134 -0
- package/dist/src/lib/spectral/BrillouinBandsDos.svelte +252 -0
- package/dist/src/lib/spectral/Dos.svelte +697 -0
- package/dist/src/lib/spectral/helpers.ts +1381 -0
- package/dist/src/lib/spectral/index.ts +8 -0
- package/dist/src/lib/spectral/types.ts +112 -0
- package/dist/src/lib/state.svelte.ts +64 -0
- package/dist/src/lib/structure/Arrow.svelte +72 -0
- package/dist/src/lib/structure/AtomLegend.svelte +815 -0
- package/dist/src/lib/structure/Bond.svelte +140 -0
- package/dist/src/lib/structure/CanvasTooltip.svelte +33 -0
- package/dist/src/lib/structure/CellSelect.svelte +349 -0
- package/dist/src/lib/structure/Cylinder.svelte +45 -0
- package/dist/src/lib/structure/Lattice.svelte +196 -0
- package/dist/src/lib/structure/Structure.svelte +2248 -0
- package/dist/src/lib/structure/StructureControls.svelte +1273 -0
- package/dist/src/lib/structure/StructureExportPane.svelte +252 -0
- package/dist/src/lib/structure/StructureInfoPane.svelte +737 -0
- package/dist/src/lib/structure/StructureScene.svelte +2255 -0
- package/dist/src/lib/structure/atom-properties.ts +316 -0
- package/dist/src/lib/structure/bond-order-perception.ts +447 -0
- package/dist/src/lib/structure/bonding.ts +944 -0
- package/dist/src/lib/structure/export.ts +861 -0
- package/dist/src/lib/structure/index.ts +291 -0
- package/dist/src/lib/structure/label-placement.ts +130 -0
- package/dist/src/lib/structure/measure.ts +45 -0
- package/dist/src/lib/structure/parse.ts +1705 -0
- package/dist/src/lib/structure/partial-occupancy.ts +183 -0
- package/dist/src/lib/structure/pbc.ts +164 -0
- package/dist/src/lib/structure/supercell.ts +226 -0
- package/dist/src/lib/structure/validation.ts +11 -0
- package/dist/src/lib/symmetry/SymmetryStats.svelte +226 -0
- package/dist/src/lib/symmetry/WyckoffTable.svelte +120 -0
- package/dist/src/lib/symmetry/cell-transform.ts +118 -0
- package/dist/src/lib/symmetry/index.ts +348 -0
- package/dist/src/lib/symmetry/spacegroups.ts +404 -0
- package/dist/src/lib/table/HeatmapTable.svelte +1833 -0
- package/dist/src/lib/table/ToggleMenu.svelte +385 -0
- package/dist/src/lib/table/index.ts +139 -0
- package/dist/src/lib/theme/ThemeControl.svelte +53 -0
- package/dist/src/lib/theme/index.ts +107 -0
- package/dist/src/lib/theme/themes.mjs +297 -0
- package/dist/src/lib/time.ts +71 -0
- package/dist/src/lib/tooltip/TooltipContent.svelte +58 -0
- package/dist/src/lib/tooltip/index.ts +2 -0
- package/dist/src/lib/tooltip/types.ts +13 -0
- package/dist/src/lib/trajectory/Trajectory.svelte +1545 -0
- package/dist/src/lib/trajectory/TrajectoryError.svelte +128 -0
- package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +357 -0
- package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +313 -0
- package/dist/src/lib/trajectory/constants.ts +7 -0
- package/dist/src/lib/trajectory/extract.ts +196 -0
- package/dist/src/lib/trajectory/format-detect.ts +96 -0
- package/dist/src/lib/trajectory/frame-reader.ts +456 -0
- package/dist/src/lib/trajectory/helpers.ts +217 -0
- package/dist/src/lib/trajectory/index.ts +218 -0
- package/dist/src/lib/trajectory/parse/ase.ts +109 -0
- package/dist/src/lib/trajectory/parse/hdf5.ts +173 -0
- package/dist/src/lib/trajectory/parse/index.ts +411 -0
- package/dist/src/lib/trajectory/parse/lammps.ts +215 -0
- package/dist/src/lib/trajectory/parse/vasp.ts +102 -0
- package/dist/src/lib/trajectory/parse/xyz.ts +143 -0
- package/dist/src/lib/trajectory/plotting.ts +599 -0
- package/dist/src/lib/trajectory/types.ts +13 -0
- package/dist/src/lib/utils.ts +56 -0
- package/dist/src/lib/xrd/XrdPlot.svelte +615 -0
- package/dist/src/lib/xrd/broadening.ts +130 -0
- package/dist/src/lib/xrd/calc-xrd.ts +397 -0
- package/dist/src/lib/xrd/index.ts +38 -0
- package/dist/src/lib/xrd/parse.ts +858 -0
- package/dist/webview.js +29421 -0
- package/icon.png +0 -0
- package/license +1 -1
- package/matterviz-0.3.2.vsix +0 -0
- package/matterviz-0.3.4.vsix +0 -0
- package/matterviz-0.3.5.vsix +0 -0
- package/package.json +1461 -231
- package/readme.md +171 -98
- package/scripts/sync-config.ts +101 -0
- package/src/declarations.d.ts +2 -0
- package/src/extension.ts +972 -0
- package/src/node-io.ts +65 -0
- package/src/types.ts +17 -0
- package/src/webview/JsonBrowser.svelte +1079 -0
- package/src/webview/PlotPanel.svelte +346 -0
- package/src/webview/detect.ts +444 -0
- package/src/webview/main.ts +764 -0
- package/src/webview/plot-utils.ts +250 -0
- package/test-fixtures/all-viz-types.json.gz +0 -0
- package/test-fixtures/plot-demo-data.json.gz +0 -0
- package/tests/detect.test.ts +604 -0
- package/tests/extension.test.ts +2041 -0
- package/tests/node-io.test.ts +39 -0
- package/tests/plot-utils.test.ts +302 -0
- package/tests/vite-plugin-json-gz.test.ts +114 -0
- package/tests/vscode-mock.ts +18 -0
- package/tests/webview.test.ts +231 -0
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- package/vite.extension.config.ts +34 -0
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- package/dist/FilePicker.svelte +0 -360
- package/dist/FilePicker.svelte.d.ts +0 -17
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- package/dist/MillerIndexInput.svelte +0 -66
- package/dist/MillerIndexInput.svelte.d.ts +0 -7
- package/dist/api/mp.d.ts +0 -6
- package/dist/api/mp.js +0 -22
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- package/dist/app.css +0 -240
- package/dist/brillouin/BrillouinZone.svelte +0 -543
- package/dist/brillouin/BrillouinZone.svelte.d.ts +0 -83
- package/dist/brillouin/BrillouinZoneControls.svelte +0 -144
- package/dist/brillouin/BrillouinZoneControls.svelte.d.ts +0 -17
- package/dist/brillouin/BrillouinZoneExportPane.svelte +0 -148
- package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +0 -15
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +0 -146
- package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +0 -13
- package/dist/brillouin/BrillouinZoneScene.svelte +0 -476
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +0 -48
- package/dist/brillouin/BrillouinZoneTooltip.svelte +0 -92
- package/dist/brillouin/BrillouinZoneTooltip.svelte.d.ts +0 -8
- package/dist/brillouin/compute.d.ts +0 -17
- package/dist/brillouin/compute.js +0 -422
- package/dist/brillouin/index.d.ts +0 -8
- package/dist/brillouin/index.js +0 -8
- package/dist/brillouin/types.d.ts +0 -48
- package/dist/brillouin/types.js +0 -1
- package/dist/chempot-diagram/ChemPotDiagram.svelte +0 -327
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +0 -13
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +0 -847
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- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +0 -3194
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +0 -16
- package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +0 -7
- package/dist/chempot-diagram/async-compute.svelte.d.ts +0 -3
- package/dist/chempot-diagram/async-compute.svelte.js +0 -77
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- package/dist/structure/atom-properties.js +0 -198
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- package/dist/structure/bonding.js +0 -304
- package/dist/structure/export.d.ts +0 -20
- package/dist/structure/export.js +0 -725
- package/dist/structure/ferrox-wasm-types.d.ts +0 -46
- package/dist/structure/ferrox-wasm-types.js +0 -18
- package/dist/structure/ferrox-wasm.d.ts +0 -94
- package/dist/structure/ferrox-wasm.js +0 -249
- package/dist/structure/index.d.ts +0 -110
- package/dist/structure/index.js +0 -168
- package/dist/structure/measure.d.ts +0 -6
- package/dist/structure/measure.js +0 -29
- package/dist/structure/parse.d.ts +0 -65
- package/dist/structure/parse.js +0 -1374
- package/dist/structure/partial-occupancy.d.ts +0 -25
- package/dist/structure/partial-occupancy.js +0 -99
- package/dist/structure/pbc.d.ts +0 -9
- package/dist/structure/pbc.js +0 -123
- package/dist/structure/supercell.d.ts +0 -8
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- package/dist/symmetry/cell-transform.d.ts +0 -12
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- package/dist/table/ToggleMenu.svelte +0 -376
- package/dist/table/ToggleMenu.svelte.d.ts +0 -11
- package/dist/table/index.d.ts +0 -74
- package/dist/table/index.js +0 -38
- package/dist/theme/ThemeControl.svelte +0 -53
- package/dist/theme/ThemeControl.svelte.d.ts +0 -9
- package/dist/theme/index.d.ts +0 -29
- package/dist/theme/index.js +0 -79
- package/dist/theme/themes.mjs +0 -285
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- package/dist/time.js +0 -70
- package/dist/tooltip/TooltipContent.svelte +0 -58
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- package/dist/tooltip/index.d.ts +0 -2
- package/dist/tooltip/index.js +0 -2
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- package/dist/trajectory/Trajectory.svelte +0 -1517
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- package/dist/trajectory/TrajectoryError.svelte +0 -128
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- package/dist/trajectory/TrajectoryInfoPane.svelte +0 -387
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- package/dist/trajectory/constants.d.ts +0 -6
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- package/dist/trajectory/extract.d.ts +0 -5
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- package/dist/trajectory/format-detect.js +0 -76
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- package/dist/trajectory/helpers.d.ts +0 -14
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- package/dist/trajectory/index.d.ts +0 -63
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- package/dist/trajectory/parse/ase.d.ts +0 -2
- package/dist/trajectory/parse/ase.js +0 -77
- package/dist/trajectory/parse/hdf5.d.ts +0 -2
- package/dist/trajectory/parse/hdf5.js +0 -129
- package/dist/trajectory/parse/index.d.ts +0 -12
- package/dist/trajectory/parse/index.js +0 -299
- package/dist/trajectory/parse/lammps.d.ts +0 -5
- package/dist/trajectory/parse/lammps.js +0 -179
- package/dist/trajectory/parse/vasp.d.ts +0 -2
- package/dist/trajectory/parse/vasp.js +0 -68
- package/dist/trajectory/parse/xyz.d.ts +0 -2
- package/dist/trajectory/parse/xyz.js +0 -110
- package/dist/trajectory/plotting.d.ts +0 -28
- package/dist/trajectory/plotting.js +0 -423
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- package/dist/xrd/calc-xrd.js +0 -337
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- package/dist/xrd/parse.d.ts +0 -13
- package/dist/xrd/parse.js +0 -749
- /package/dist/{EmptyState.svelte → src/lib/EmptyState.svelte} +0 -0
- /package/dist/{Icon.svelte → src/lib/Icon.svelte} +0 -0
- /package/dist/{chempot-diagram → src/lib/chempot-diagram}/ChemPotScene3D.svelte +0 -0
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- /package/dist/{colors → src/lib/colors}/dark-mode-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/jmol-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/muted-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/pastel-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/vesta-colors.json +0 -0
- /package/dist/{element → src/lib/element}/Nucleus.svelte +0 -0
- /package/dist/{element → src/lib/element}/data.json +0 -0
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else if (type === `object`) {
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visitor(value[key], key);
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}
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}
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else if (type === `map`) {
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for (const [map_key, map_value] of value) {
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}
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}
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}
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}
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// Collect all expandable paths in a value tree
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export function collect_all_paths(value, current_path = ``, max_depth = Infinity, current_depth = 0, seen = new WeakSet()) {
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if (current_depth >= max_depth)
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return [];
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const type = get_value_type(value);
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if (!is_expandable_type(type))
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if (seen.has(value))
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return [];
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seen.add(value);
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}
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const paths = current_path ? [current_path] : [];
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for_each_child(value, type, (child_value, key) => {
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const child_path = build_path(current_path, key);
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paths.push(...collect_all_paths(child_value, child_path, max_depth, current_depth + 1, seen));
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});
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return paths;
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}
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// Find all paths that match a search query
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export function find_matching_paths(value, query, current_path = ``, current_key = null, seen = new WeakSet()) {
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const matches = new Set();
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return matches;
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const lower_query = query.toLowerCase();
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if (matches_search(current_path, current_key, value, query)) {
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matches.add(current_path);
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}
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if (typeof value === `object` && value !== null) {
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if (seen.has(value))
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seen.add(value);
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}
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for_each_child(value, type, (child_value, key, map_key) => {
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const child_path = build_path(current_path, key);
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if (map_key !== undefined && String(map_key).toLowerCase().includes(lower_query)) {
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matches.add(child_path);
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}
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for (const match of find_matching_paths(child_value, query, child_path, key, seen)) {
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matches.add(match);
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}
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|
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});
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return matches;
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|
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}
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|
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// Get all ancestor paths for a given path
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|
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// e.g., "users[0].name" -> ["users", "users[0]"]
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|
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export function get_ancestor_paths(path) {
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const ancestors = [];
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|
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let current = ``;
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|
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// Parse the path to extract segments
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|
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const segments = parse_path(path);
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|
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for (let idx = 0; idx < segments.length - 1; idx++) {
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|
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current = build_path(current, segments[idx]);
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|
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ancestors.push(current);
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|
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}
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|
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return ancestors;
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|
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}
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|
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// Parse a path string into segments
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|
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// e.g., "users[0].name" -> ["users", 0, "name"]
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300
|
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export function parse_path(path) {
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|
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if (!path)
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|
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return [];
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|
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const segments = [];
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|
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let current = ``;
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|
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let in_bracket = false;
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|
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for (let idx = 0; idx < path.length; idx++) {
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|
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const char = path[idx];
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|
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if (char === `.` && !in_bracket) {
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|
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if (current)
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|
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segments.push(current);
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|
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current = ``;
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|
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}
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313
|
-
else if (char === `[`) {
|
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314
|
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if (current)
|
|
315
|
-
segments.push(current);
|
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|
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current = ``;
|
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|
-
in_bracket = true;
|
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318
|
-
}
|
|
319
|
-
else if (char === `]`) {
|
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320
|
-
if (current) {
|
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321
|
-
// Check if it's a number index
|
|
322
|
-
const num = Number(current);
|
|
323
|
-
if (Number.isNaN(num)) {
|
|
324
|
-
// Remove surrounding quotes and unescape internal quotes
|
|
325
|
-
const unquoted = current.replace(/^"|"$/g, ``).replace(/\\"/g, `"`);
|
|
326
|
-
segments.push(unquoted);
|
|
327
|
-
}
|
|
328
|
-
else
|
|
329
|
-
segments.push(num);
|
|
330
|
-
}
|
|
331
|
-
current = ``;
|
|
332
|
-
in_bracket = false;
|
|
333
|
-
}
|
|
334
|
-
else
|
|
335
|
-
current += char;
|
|
336
|
-
}
|
|
337
|
-
// Handle trailing content (e.g., unclosed bracket like "a[0")
|
|
338
|
-
if (current) {
|
|
339
|
-
if (in_bracket) {
|
|
340
|
-
// Apply same numeric/quoted-string logic as inside brackets
|
|
341
|
-
const num = Number(current);
|
|
342
|
-
if (Number.isNaN(num)) {
|
|
343
|
-
const unquoted = current.replace(/^"|"$/g, ``).replace(/\\"/g, `"`);
|
|
344
|
-
segments.push(unquoted);
|
|
345
|
-
}
|
|
346
|
-
else
|
|
347
|
-
segments.push(num);
|
|
348
|
-
}
|
|
349
|
-
else
|
|
350
|
-
segments.push(current);
|
|
351
|
-
}
|
|
352
|
-
return segments;
|
|
353
|
-
}
|
|
354
|
-
// Check if two values are deeply equal (for change detection)
|
|
355
|
-
export function values_equal(val_a, val_b) {
|
|
356
|
-
if (val_a === val_b)
|
|
357
|
-
return true;
|
|
358
|
-
// Handle NaN (NaN !== NaN in JS, but we want NaN === NaN for change detection)
|
|
359
|
-
if (typeof val_a === `number` &&
|
|
360
|
-
typeof val_b === `number` &&
|
|
361
|
-
Number.isNaN(val_a) &&
|
|
362
|
-
Number.isNaN(val_b))
|
|
363
|
-
return true;
|
|
364
|
-
if (val_a === null || val_b === null)
|
|
365
|
-
return false;
|
|
366
|
-
if (typeof val_a !== typeof val_b)
|
|
367
|
-
return false;
|
|
368
|
-
const type = get_value_type(val_a);
|
|
369
|
-
// For primitives, strict equality is sufficient
|
|
370
|
-
if (is_primitive_type(type) || type === `symbol`) {
|
|
371
|
-
return val_a === val_b;
|
|
372
|
-
}
|
|
373
|
-
// For dates, compare timestamps
|
|
374
|
-
if (type === `date`) {
|
|
375
|
-
return val_a.getTime() === val_b.getTime();
|
|
376
|
-
}
|
|
377
|
-
// For regex, compare string representation
|
|
378
|
-
if (type === `regexp`) {
|
|
379
|
-
return val_a.toString() === val_b.toString();
|
|
380
|
-
}
|
|
381
|
-
// For objects and arrays, do shallow comparison (for performance)
|
|
382
|
-
// Deep changes will be detected at the child level
|
|
383
|
-
if (type === `array`) {
|
|
384
|
-
return val_a.length === val_b.length;
|
|
385
|
-
}
|
|
386
|
-
if (type === `object`) {
|
|
387
|
-
const keys_a = Object.keys(val_a);
|
|
388
|
-
const keys_b = Object.keys(val_b);
|
|
389
|
-
return keys_a.length === keys_b.length;
|
|
390
|
-
}
|
|
391
|
-
return false;
|
|
392
|
-
}
|
|
393
|
-
// Parse a raw edited string into a typed JSON value
|
|
394
|
-
// Numbers, booleans, and null are auto-detected; everything else stays as string
|
|
395
|
-
export function parse_edited_value(text) {
|
|
396
|
-
const trimmed = text.trim();
|
|
397
|
-
if (trimmed === `null`)
|
|
398
|
-
return null;
|
|
399
|
-
if (trimmed === `true`)
|
|
400
|
-
return true;
|
|
401
|
-
if (trimmed === `false`)
|
|
402
|
-
return false;
|
|
403
|
-
const num = Number(trimmed);
|
|
404
|
-
if (trimmed !== `` && Number.isFinite(num))
|
|
405
|
-
return num;
|
|
406
|
-
return text;
|
|
407
|
-
}
|
|
408
|
-
// Set a value at a dot/bracket path in a deep-cloned copy of root
|
|
409
|
-
// root_label is stripped from the path prefix if present
|
|
410
|
-
export function set_at_path(root, path_str, new_value, root_label) {
|
|
411
|
-
const segments = parse_path(path_str);
|
|
412
|
-
const start = root_label && segments[0] === root_label ? 1 : 0;
|
|
413
|
-
if (start >= segments.length)
|
|
414
|
-
return new_value;
|
|
415
|
-
const cloned = JSON.parse(JSON.stringify(root));
|
|
416
|
-
let current = cloned;
|
|
417
|
-
for (let idx = start; idx < segments.length - 1; idx++) {
|
|
418
|
-
const next = current[segments[idx]];
|
|
419
|
-
if (next === undefined || next === null)
|
|
420
|
-
return root; // bail — path no longer valid
|
|
421
|
-
current = next;
|
|
422
|
-
}
|
|
423
|
-
current[segments[segments.length - 1]] = new_value;
|
|
424
|
-
return cloned;
|
|
425
|
-
}
|
|
426
|
-
// URL regex for auto-detection in string values
|
|
427
|
-
const URL_RE = /^https?:\/\/\S+$/;
|
|
428
|
-
// CSS color patterns for swatch rendering
|
|
429
|
-
const HEX_COLOR_RE = /^#(?:[0-9a-f]{3,4}|[0-9a-f]{6}|[0-9a-f]{8})$/i;
|
|
430
|
-
const FUNC_COLOR_RE = /^(?:rgba?|hsla?|oklch|oklab|lch|lab|color)\([^)]*\)$/i;
|
|
431
|
-
// Check if a string is a URL
|
|
432
|
-
export function is_url(str) {
|
|
433
|
-
return URL_RE.test(str.trim());
|
|
434
|
-
}
|
|
435
|
-
// Check if a string looks like a CSS color value
|
|
436
|
-
// Rejects strings with semicolons to prevent CSS injection
|
|
437
|
-
export function is_css_color(str) {
|
|
438
|
-
const trimmed = str.trim();
|
|
439
|
-
if (trimmed.includes(`;`))
|
|
440
|
-
return false;
|
|
441
|
-
return HEX_COLOR_RE.test(trimmed) || FUNC_COLOR_RE.test(trimmed);
|
|
442
|
-
}
|
|
443
|
-
// Estimate the serialized byte size of a value (rough approximation)
|
|
444
|
-
// Uses max_depth to avoid expensive deep recursion on large trees
|
|
445
|
-
export function estimate_byte_size(value, max_depth = 4, current_depth = 0) {
|
|
446
|
-
if (current_depth >= max_depth)
|
|
447
|
-
return 10;
|
|
448
|
-
const type = get_value_type(value);
|
|
449
|
-
if (type === `null`)
|
|
450
|
-
return 4;
|
|
451
|
-
if (type === `undefined`)
|
|
452
|
-
return 9;
|
|
453
|
-
if (type === `boolean`)
|
|
454
|
-
return value ? 4 : 5;
|
|
455
|
-
if (type === `number` || type === `bigint`)
|
|
456
|
-
return String(value).length;
|
|
457
|
-
if (type === `string`)
|
|
458
|
-
return value.length + 2;
|
|
459
|
-
if (type === `symbol`)
|
|
460
|
-
return value.toString().length;
|
|
461
|
-
if (type === `function`)
|
|
462
|
-
return 20;
|
|
463
|
-
if (type === `date`)
|
|
464
|
-
return 24;
|
|
465
|
-
if (type === `regexp`)
|
|
466
|
-
return value.toString().length;
|
|
467
|
-
if (type === `error`) {
|
|
468
|
-
return `${value.name}: ${value.message}`.length;
|
|
469
|
-
}
|
|
470
|
-
// Accumulate child sizes for collection types
|
|
471
|
-
const child_depth = current_depth + 1;
|
|
472
|
-
const child_size = (val, overhead = 1) => estimate_byte_size(val, max_depth, child_depth) + overhead;
|
|
473
|
-
if (type === `array`) {
|
|
474
|
-
let size = 2;
|
|
475
|
-
for (const item of value)
|
|
476
|
-
size += child_size(item);
|
|
477
|
-
return size;
|
|
478
|
-
}
|
|
479
|
-
if (type === `object`) {
|
|
480
|
-
let size = 2;
|
|
481
|
-
for (const [key, val] of Object.entries(value)) {
|
|
482
|
-
size += key.length + 4 + child_size(val, 0);
|
|
483
|
-
}
|
|
484
|
-
return size;
|
|
485
|
-
}
|
|
486
|
-
if (type === `map`) {
|
|
487
|
-
let size = 2;
|
|
488
|
-
for (const [, val] of value)
|
|
489
|
-
size += child_size(val, 10);
|
|
490
|
-
return size;
|
|
491
|
-
}
|
|
492
|
-
if (type === `set`) {
|
|
493
|
-
let size = 2;
|
|
494
|
-
for (const val of value)
|
|
495
|
-
size += child_size(val);
|
|
496
|
-
return size;
|
|
497
|
-
}
|
|
498
|
-
return String(value).length;
|
|
499
|
-
}
|
|
500
|
-
// Pre-compute a map of parent_path -> removed children from a diff map
|
|
501
|
-
// This avoids O(diff_size) iteration per expanded node
|
|
502
|
-
export function build_ghost_map(diff_map) {
|
|
503
|
-
const ghost_map = new Map();
|
|
504
|
-
for (const [diff_path, entry] of diff_map) {
|
|
505
|
-
if (entry.status !== `removed`)
|
|
506
|
-
continue;
|
|
507
|
-
const segments = parse_path(diff_path);
|
|
508
|
-
if (segments.length === 0)
|
|
509
|
-
continue;
|
|
510
|
-
const parent_path = segments.length === 1 ? `` : format_path(segments.slice(0, -1));
|
|
511
|
-
const key = segments[segments.length - 1];
|
|
512
|
-
const ghosts = ghost_map.get(parent_path) ?? [];
|
|
513
|
-
ghosts.push({ key, value: entry.old_value, path: diff_path });
|
|
514
|
-
ghost_map.set(parent_path, ghosts);
|
|
515
|
-
}
|
|
516
|
-
return ghost_map;
|
|
517
|
-
}
|
|
518
|
-
// Format byte size as human-readable string (e.g., "1.2 KB")
|
|
519
|
-
export function format_byte_size(bytes) {
|
|
520
|
-
if (bytes < 1024)
|
|
521
|
-
return `${bytes} B`;
|
|
522
|
-
if (bytes < 1024 * 1024)
|
|
523
|
-
return `${(bytes / 1024).toFixed(1)} KB`;
|
|
524
|
-
return `${(bytes / (1024 * 1024)).toFixed(1)} MB`;
|
|
525
|
-
}
|
|
526
|
-
// Compute diff between old and new values, returning path -> DiffEntry map
|
|
527
|
-
// Only paths that differ are included (unchanged paths are omitted)
|
|
528
|
-
export function compute_diff(old_val, new_val, current_path = ``, result = new Map(), seen = new WeakSet()) {
|
|
529
|
-
const old_type = get_value_type(old_val);
|
|
530
|
-
const new_type = get_value_type(new_val);
|
|
531
|
-
// Different types = changed
|
|
532
|
-
if (old_type !== new_type) {
|
|
533
|
-
result.set(current_path, {
|
|
534
|
-
status: `changed`,
|
|
535
|
-
path: current_path,
|
|
536
|
-
old_value: old_val,
|
|
537
|
-
new_value: new_val,
|
|
538
|
-
});
|
|
539
|
-
return result;
|
|
540
|
-
}
|
|
541
|
-
// Both primitive: compare values (with NaN === NaN special case)
|
|
542
|
-
if (is_primitive_type(old_type)) {
|
|
543
|
-
const both_nan = typeof old_val === `number` &&
|
|
544
|
-
typeof new_val === `number` &&
|
|
545
|
-
Number.isNaN(old_val) &&
|
|
546
|
-
Number.isNaN(new_val);
|
|
547
|
-
if (!both_nan && old_val !== new_val) {
|
|
548
|
-
result.set(current_path, {
|
|
549
|
-
status: `changed`,
|
|
550
|
-
path: current_path,
|
|
551
|
-
old_value: old_val,
|
|
552
|
-
new_value: new_val,
|
|
553
|
-
});
|
|
554
|
-
}
|
|
555
|
-
return result;
|
|
556
|
-
}
|
|
557
|
-
// Non-expandable special types (date, regexp, etc): compare string forms
|
|
558
|
-
if (!is_expandable_type(old_type)) {
|
|
559
|
-
if (String(old_val) !== String(new_val)) {
|
|
560
|
-
result.set(current_path, {
|
|
561
|
-
status: `changed`,
|
|
562
|
-
path: current_path,
|
|
563
|
-
old_value: old_val,
|
|
564
|
-
new_value: new_val,
|
|
565
|
-
});
|
|
566
|
-
}
|
|
567
|
-
return result;
|
|
568
|
-
}
|
|
569
|
-
// Prevent circular references
|
|
570
|
-
if (typeof old_val === `object` && old_val !== null) {
|
|
571
|
-
if (seen.has(old_val))
|
|
572
|
-
return result;
|
|
573
|
-
seen.add(old_val);
|
|
574
|
-
}
|
|
575
|
-
// Diff two indexed lists element-by-element (shared by array, map, set)
|
|
576
|
-
function diff_indexed(old_items, new_items) {
|
|
577
|
-
const max_len = Math.max(old_items.length, new_items.length);
|
|
578
|
-
for (let idx = 0; idx < max_len; idx++) {
|
|
579
|
-
const child_path = build_path(current_path, idx);
|
|
580
|
-
if (idx >= old_items.length) {
|
|
581
|
-
result.set(child_path, {
|
|
582
|
-
status: `added`,
|
|
583
|
-
path: child_path,
|
|
584
|
-
new_value: new_items[idx],
|
|
585
|
-
});
|
|
586
|
-
}
|
|
587
|
-
else if (idx >= new_items.length) {
|
|
588
|
-
result.set(child_path, {
|
|
589
|
-
status: `removed`,
|
|
590
|
-
path: child_path,
|
|
591
|
-
old_value: old_items[idx],
|
|
592
|
-
});
|
|
593
|
-
}
|
|
594
|
-
else {
|
|
595
|
-
compute_diff(old_items[idx], new_items[idx], child_path, result, seen);
|
|
596
|
-
}
|
|
597
|
-
}
|
|
598
|
-
}
|
|
599
|
-
if (old_type === `array`) {
|
|
600
|
-
diff_indexed(old_val, new_val);
|
|
601
|
-
return result;
|
|
602
|
-
}
|
|
603
|
-
// Objects: compare key sets and recurse
|
|
604
|
-
if (old_type === `object`) {
|
|
605
|
-
const old_obj = old_val;
|
|
606
|
-
const new_obj = new_val;
|
|
607
|
-
const all_keys = new Set([...Object.keys(old_obj), ...Object.keys(new_obj)]);
|
|
608
|
-
for (const key of all_keys) {
|
|
609
|
-
const child_path = build_path(current_path, key);
|
|
610
|
-
const in_old = key in old_obj;
|
|
611
|
-
const in_new = key in new_obj;
|
|
612
|
-
if (!in_old) {
|
|
613
|
-
result.set(child_path, {
|
|
614
|
-
status: `added`,
|
|
615
|
-
path: child_path,
|
|
616
|
-
new_value: new_obj[key],
|
|
617
|
-
});
|
|
618
|
-
}
|
|
619
|
-
else if (!in_new) {
|
|
620
|
-
result.set(child_path, {
|
|
621
|
-
status: `removed`,
|
|
622
|
-
path: child_path,
|
|
623
|
-
old_value: old_obj[key],
|
|
624
|
-
});
|
|
625
|
-
}
|
|
626
|
-
else {
|
|
627
|
-
compute_diff(old_obj[key], new_obj[key], child_path, result, seen);
|
|
628
|
-
}
|
|
629
|
-
}
|
|
630
|
-
return result;
|
|
631
|
-
}
|
|
632
|
-
// Maps: wrap entries as { key, value } to match JsonNode.get_children() rendering
|
|
633
|
-
if (old_type === `map`) {
|
|
634
|
-
diff_indexed(Array.from(old_val.entries()).map(([key, val]) => ({
|
|
635
|
-
key,
|
|
636
|
-
value: val,
|
|
637
|
-
})), Array.from(new_val.entries()).map(([key, val]) => ({
|
|
638
|
-
key,
|
|
639
|
-
value: val,
|
|
640
|
-
})));
|
|
641
|
-
return result;
|
|
642
|
-
}
|
|
643
|
-
if (old_type === `set`) {
|
|
644
|
-
diff_indexed(Array.from(old_val), Array.from(new_val));
|
|
645
|
-
return result;
|
|
646
|
-
}
|
|
647
|
-
return result;
|
|
648
|
-
}
|
package/dist/marching-cubes.d.ts
DELETED
|
@@ -1,14 +0,0 @@
|
|
|
1
|
-
import type { Matrix3x3, Vec3 } from './math';
|
|
2
|
-
export interface MarchingCubesResult {
|
|
3
|
-
vertices: Vec3[];
|
|
4
|
-
faces: number[][];
|
|
5
|
-
normals: Vec3[];
|
|
6
|
-
}
|
|
7
|
-
export interface MarchingCubesOptions {
|
|
8
|
-
periodic?: boolean;
|
|
9
|
-
interpolate?: boolean;
|
|
10
|
-
centered?: boolean;
|
|
11
|
-
normals?: boolean;
|
|
12
|
-
}
|
|
13
|
-
export declare function marching_cubes(grid: number[][][], iso_value: number, k_lattice: Matrix3x3, options?: MarchingCubesOptions): MarchingCubesResult;
|
|
14
|
-
export declare function compute_vertex_normals(vertices: Vec3[], faces: number[][]): Vec3[];
|