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/StructureExportPane.svelte +0 -251
- package/dist/structure/StructureExportPane.svelte.d.ts +0 -17
- package/dist/structure/StructureInfoPane.svelte +0 -434
- package/dist/structure/StructureInfoPane.svelte.d.ts +0 -18
- package/dist/structure/StructureScene.svelte +0 -1574
- package/dist/structure/StructureScene.svelte.d.ts +0 -104
- package/dist/structure/atom-properties.d.ts +0 -37
- package/dist/structure/atom-properties.js +0 -198
- package/dist/structure/bonding.d.ts +0 -33
- 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
- package/dist/structure/supercell.js +0 -137
- package/dist/structure/validation.d.ts +0 -2
- package/dist/structure/validation.js +0 -10
- package/dist/symmetry/SymmetryStats.svelte +0 -226
- package/dist/symmetry/SymmetryStats.svelte.d.ts +0 -21
- package/dist/symmetry/WyckoffTable.svelte +0 -113
- package/dist/symmetry/WyckoffTable.svelte.d.ts +0 -11
- package/dist/symmetry/cell-transform.d.ts +0 -12
- package/dist/symmetry/cell-transform.js +0 -77
- package/dist/symmetry/index.d.ts +0 -43
- package/dist/symmetry/index.js +0 -229
- package/dist/symmetry/spacegroups.d.ts +0 -9
- package/dist/symmetry/spacegroups.js +0 -394
- package/dist/table/HeatmapTable.svelte +0 -1854
- package/dist/table/HeatmapTable.svelte.d.ts +0 -49
- 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
- package/dist/time.d.ts +0 -4
- package/dist/time.js +0 -70
- package/dist/tooltip/TooltipContent.svelte +0 -58
- package/dist/tooltip/TooltipContent.svelte.d.ts +0 -31
- package/dist/tooltip/index.d.ts +0 -2
- package/dist/tooltip/index.js +0 -2
- package/dist/tooltip/types.d.ts +0 -8
- package/dist/tooltip/types.js +0 -1
- package/dist/trajectory/Trajectory.svelte +0 -1517
- package/dist/trajectory/Trajectory.svelte.d.ts +0 -77
- package/dist/trajectory/TrajectoryError.svelte +0 -128
- package/dist/trajectory/TrajectoryError.svelte.d.ts +0 -13
- package/dist/trajectory/TrajectoryExportPane.svelte +0 -357
- package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +0 -17
- package/dist/trajectory/TrajectoryInfoPane.svelte +0 -387
- package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +0 -17
- package/dist/trajectory/constants.d.ts +0 -6
- package/dist/trajectory/constants.js +0 -7
- package/dist/trajectory/extract.d.ts +0 -5
- package/dist/trajectory/extract.js +0 -162
- package/dist/trajectory/format-detect.d.ts +0 -9
- package/dist/trajectory/format-detect.js +0 -76
- package/dist/trajectory/frame-reader.d.ts +0 -17
- package/dist/trajectory/frame-reader.js +0 -332
- package/dist/trajectory/helpers.d.ts +0 -14
- package/dist/trajectory/helpers.js +0 -172
- package/dist/trajectory/index.d.ts +0 -63
- package/dist/trajectory/index.js +0 -126
- 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
- package/dist/trajectory/types.d.ts +0 -11
- package/dist/trajectory/types.js +0 -1
- package/dist/utils.d.ts +0 -5
- package/dist/utils.js +0 -36
- package/dist/xrd/XrdPlot.svelte +0 -615
- package/dist/xrd/XrdPlot.svelte.d.ts +0 -28
- package/dist/xrd/broadening.d.ts +0 -20
- package/dist/xrd/broadening.js +0 -97
- package/dist/xrd/calc-xrd.d.ts +0 -37
- package/dist/xrd/calc-xrd.js +0 -337
- package/dist/xrd/index.d.ts +0 -37
- package/dist/xrd/index.js +0 -4
- 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
- /package/dist/{colors → src/lib/colors}/alloy-colors.json +0 -0
- /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
- /package/dist/{element → src/lib/element}/data.json.gz +0 -0
- /package/dist/{element → src/lib/element}/data.schema.json +0 -0
- /package/dist/{element-image-urls.json → src/lib/element-image-urls.json} +0 -0
- /package/dist/{feedback → src/lib/feedback}/Spinner.svelte +0 -0
- /package/dist/{feedback → src/lib/feedback}/StatusMessage.svelte +0 -0
- /package/dist/{periodic-table → src/lib/periodic-table}/TableInset.svelte +0 -0
- /package/dist/{plot → src/lib/plot}/ReferenceLine.svelte +0 -0
- /package/dist/{xrd → src/lib/xrd}/atomic_scattering_params.json +0 -0
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import { describe, expect, test, vi } from 'vitest'
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import { stream_file_to_buffer } from '../src/node-io'
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file: vi.fn((file_path: string) => ({ fsPath: file_path })),
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workspace: {
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}))
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vi.mock(`vscode`, () => mock_vscode)
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describe(`stream_file_to_buffer`, () => {
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test(`returns the underlying buffer without copying for full-span file bytes`, async () => {
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const file_bytes = new Uint8Array([1, 2, 3])
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mock_vscode.workspace.fs.stat.mockResolvedValue({ size: file_bytes.byteLength })
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mock_vscode.workspace.fs.readFile.mockResolvedValue(file_bytes)
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const result = await stream_file_to_buffer(`/tmp/full-span.bin`)
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})
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test(`returns exact bytes when VS Code returns an ArrayBuffer view`, async () => {
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mock_vscode.workspace.fs.stat.mockResolvedValue({ size: file_bytes.byteLength })
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mock_vscode.workspace.fs.readFile.mockResolvedValue(file_bytes)
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const result = await stream_file_to_buffer(`/tmp/view-backed.bin`)
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expect(Array.from(new Uint8Array(result))).toEqual([2, 3, 4])
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})
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})
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import { describe, expect, test } from 'vitest'
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import {
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build_bar_series,
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build_histogram_series,
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build_scatter3d_series,
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build_scatter_series,
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col_keys,
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extract_columns,
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suggest_mapping,
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} from '../src/webview/plot-utils'
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describe(`extract_columns`, () => {
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test(`column-based: extracts numeric and string columns`, () => {
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const data = { x: [1, 2, 3], y: [4, 5, 6], label: [`a`, `b`, `c`] }
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const cols = extract_columns(data)
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expect(cols.size).toBe(3)
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expect(cols.get(`x`)?.type).toBe(`numeric`)
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expect(cols.get(`y`)?.type).toBe(`numeric`)
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expect(cols.get(`label`)?.type).toBe(`string`)
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})
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test(`column-based: skips columns with different lengths`, () => {
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const data = { x: [1, 2, 3], y: [4, 5], label: [`a`, `b`, `c`] }
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const cols = extract_columns(data)
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expect(cols.has(`y`)).toBe(false)
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expect(cols.size).toBe(2)
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})
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test(`row-based: extracts from array of objects`, () => {
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const data = [
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{ energy: -5.4, volume: 20.5, name: `Si` },
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{ energy: -4.6, volume: 22.7, name: `Ge` },
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{ energy: -7.4, volume: 11.2, name: `C` },
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]
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const cols = extract_columns(data)
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expect(cols.size).toBe(3)
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expect(cols.get(`energy`)?.type).toBe(`numeric`)
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expect(cols.get(`volume`)?.type).toBe(`numeric`)
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expect(cols.get(`name`)?.type).toBe(`string`)
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expect(cols.get(`energy`)?.values).toEqual([-5.4, -4.6, -7.4])
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})
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test.each([null, `hello`, 42, [null, { x: 1 }]])(
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(data) => expect(extract_columns(data).size).toBe(0),
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)
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test(`single-column column-based data produces one column for histogram`, () => {
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const cols = extract_columns({ energy: [1, 2, 3] })
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expect(cols.size).toBe(1)
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expect(cols.get(`energy`)?.type).toBe(`numeric`)
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})
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test(`handles null values in columns`, () => {
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const data = { x: [1, null, 3], y: [4, 5, null] }
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const cols = extract_columns(data)
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expect(cols.get(`x`)?.n_valid).toBe(2)
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expect(cols.get(`y`)?.n_valid).toBe(2)
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})
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test(`classifies mixed-type columns when below 80% threshold`, () => {
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const data = [{ val: 1 }, { val: `two` }, { val: 3 }, { val: `four` }, { val: 5 }]
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const cols = extract_columns(data)
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expect(cols.get(`val`)?.type).toBe(`mixed`)
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})
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test(`classifies as numeric when >= 80% are numbers`, () => {
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const data = { val: [1, 2, 3, 4, `outlier`], idx: [0, 1, 2, 3, 4] }
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const cols = extract_columns(data)
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expect(cols.get(`val`)?.type).toBe(`numeric`)
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expect(cols.get(`val`)?.n_valid).toBe(5)
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})
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test(`classifies all-null column as mixed with n_valid=0`, () => {
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const data = { x: [1, 2], y: [null, undefined] }
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const cols = extract_columns(data)
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expect(cols.get(`y`)?.type).toBe(`mixed`)
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expect(cols.get(`y`)?.n_valid).toBe(0)
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})
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})
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describe(`col_keys`, () => {
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test(`filters columns by type`, () => {
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const cols = extract_columns({ x: [1, 2], name: [`a`, `b`], y: [3, 4] })
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expect(col_keys(cols, `numeric`)).toEqual([`x`, `y`])
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expect(col_keys(cols, `string`)).toEqual([`name`])
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expect(col_keys(cols, `mixed`)).toEqual([])
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})
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})
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describe(`suggest_mapping`, () => {
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test(`assigns x and y to first two numeric columns`, () => {
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const cols = extract_columns({ a: [1, 2], b: [3, 4], c: [5, 6] })
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const { plot_type, mapping } = suggest_mapping(cols)
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expect(plot_type).toBe(`scatter`)
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expect(mapping.x).toBe(`a`)
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expect(mapping.y).toBe(`b`)
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expect(mapping.color).toBe(`c`)
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})
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test(`prefers well-known names for x/y`, () => {
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const cols = extract_columns({ energy: [1, 2], time: [3, 4], force: [5, 6] })
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const { mapping } = suggest_mapping(cols)
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expect(mapping.x).toBe(`time`)
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expect(mapping.y).toBe(`energy`)
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})
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|
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test.each([
|
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110
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[
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111
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`bar (string + 2 numeric)`,
|
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112
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+
`bar`,
|
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113
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`material`,
|
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114
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{
|
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115
|
+
material: [`Si`, `Ge`, `C`],
|
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116
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+
energy: [-5.4, -4.6, -7.4],
|
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117
|
+
volume: [20.5, 22.7, 11.2],
|
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118
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+
},
|
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119
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+
],
|
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120
|
+
[
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121
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`bar (string + 1 numeric)`,
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122
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+
`bar`,
|
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123
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+
`name`,
|
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{
|
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125
|
+
name: [`Si`, `Ge`, `C`],
|
|
126
|
+
energy: [-5.4, -4.6, -7.4],
|
|
127
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+
},
|
|
128
|
+
],
|
|
129
|
+
[
|
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130
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+
`scatter3d (x/y/z columns)`,
|
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131
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+
`scatter3d`,
|
|
132
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`x`,
|
|
133
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+
{
|
|
134
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x: [1, 2],
|
|
135
|
+
y: [3, 4],
|
|
136
|
+
z: [5, 6],
|
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137
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+
},
|
|
138
|
+
],
|
|
139
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+
] as const)(`suggests %s`, (_, expected_type, expected_x, data) => {
|
|
140
|
+
const { plot_type, mapping } = suggest_mapping(extract_columns(data))
|
|
141
|
+
expect(plot_type).toBe(expected_type)
|
|
142
|
+
expect(mapping.x).toBe(expected_x)
|
|
143
|
+
})
|
|
144
|
+
|
|
145
|
+
test(`assigns color to first unassigned numeric column`, () => {
|
|
146
|
+
const cols = extract_columns({ x: [1, 2], y: [3, 4], temp: [5, 6], sz: [7, 8] })
|
|
147
|
+
const { mapping } = suggest_mapping(cols)
|
|
148
|
+
expect(mapping.color).toBe(`temp`)
|
|
149
|
+
})
|
|
150
|
+
|
|
151
|
+
test(`single numeric column falls back to histogram`, () => {
|
|
152
|
+
const cols = new Map([
|
|
153
|
+
[
|
|
154
|
+
`a`,
|
|
155
|
+
{
|
|
156
|
+
values: [1, 2, 3],
|
|
157
|
+
type: `numeric` as const,
|
|
158
|
+
n_valid: 3,
|
|
159
|
+
},
|
|
160
|
+
],
|
|
161
|
+
])
|
|
162
|
+
const { plot_type, mapping } = suggest_mapping(cols)
|
|
163
|
+
expect(plot_type).toBe(`histogram`)
|
|
164
|
+
expect(mapping.x).toBe(`a`)
|
|
165
|
+
})
|
|
166
|
+
|
|
167
|
+
test(`empty columns map falls back to table`, () => {
|
|
168
|
+
const { plot_type, mapping } = suggest_mapping(new Map())
|
|
169
|
+
expect(plot_type).toBe(`table`)
|
|
170
|
+
expect(mapping.x).toBeUndefined()
|
|
171
|
+
expect(mapping.y).toBeUndefined()
|
|
172
|
+
})
|
|
173
|
+
})
|
|
174
|
+
|
|
175
|
+
describe(`build_scatter_series`, () => {
|
|
176
|
+
test(`builds series from columns`, () => {
|
|
177
|
+
const cols = extract_columns({ x: [1, 2, 3], y: [4, 5, 6] })
|
|
178
|
+
const series = build_scatter_series(cols, { x: `x`, y: `y` })
|
|
179
|
+
expect(series.x).toEqual([1, 2, 3])
|
|
180
|
+
expect(series.y).toEqual([4, 5, 6])
|
|
181
|
+
})
|
|
182
|
+
|
|
183
|
+
test.each([
|
|
184
|
+
[`color`, { x: `x`, y: `y`, color: `extra` }, `color_values`],
|
|
185
|
+
[`size`, { x: `x`, y: `y`, size: `extra` }, `size_values`],
|
|
186
|
+
] as const)(`includes %s_values when mapped`, (_, axis_mapping, prop) => {
|
|
187
|
+
const cols = extract_columns({ x: [1, 2], y: [3, 4], extra: [5, 6] })
|
|
188
|
+
const series = build_scatter_series(cols, axis_mapping)
|
|
189
|
+
expect(series[prop]).toEqual([5, 6])
|
|
190
|
+
})
|
|
191
|
+
|
|
192
|
+
test(`filters out points with non-finite x or y`, () => {
|
|
193
|
+
const cols = extract_columns({ x: [1, null, 3], y: [4, 5, 6], c: [10, 20, 30] })
|
|
194
|
+
const series = build_scatter_series(cols, { x: `x`, y: `y`, color: `c` })
|
|
195
|
+
expect(series.x).toEqual([1, 3])
|
|
196
|
+
expect(series.y).toEqual([4, 6])
|
|
197
|
+
expect(series.color_values).toEqual([10, 30])
|
|
198
|
+
})
|
|
199
|
+
})
|
|
200
|
+
|
|
201
|
+
describe(`build_scatter3d_series`, () => {
|
|
202
|
+
test(`builds 3d series`, () => {
|
|
203
|
+
const cols = extract_columns({ x: [1, 2], y: [3, 4], z: [5, 6] })
|
|
204
|
+
const series = build_scatter3d_series(cols, { x: `x`, y: `y`, z: `z` })
|
|
205
|
+
expect(series.x).toEqual([1, 2])
|
|
206
|
+
expect(series.y).toEqual([3, 4])
|
|
207
|
+
expect(series.z).toEqual([5, 6])
|
|
208
|
+
})
|
|
209
|
+
|
|
210
|
+
test(`includes color and size values when mapped`, () => {
|
|
211
|
+
const cols = extract_columns({
|
|
212
|
+
x: [1, 2],
|
|
213
|
+
y: [3, 4],
|
|
214
|
+
z: [5, 6],
|
|
215
|
+
c: [7, 8],
|
|
216
|
+
sz: [9, 10],
|
|
217
|
+
})
|
|
218
|
+
const series = build_scatter3d_series(cols, {
|
|
219
|
+
x: `x`,
|
|
220
|
+
y: `y`,
|
|
221
|
+
z: `z`,
|
|
222
|
+
color: `c`,
|
|
223
|
+
size: `sz`,
|
|
224
|
+
})
|
|
225
|
+
expect(series.color_values).toEqual([7, 8])
|
|
226
|
+
expect(series.size_values).toEqual([9, 10])
|
|
227
|
+
})
|
|
228
|
+
|
|
229
|
+
test(`filters non-finite x/y/z with aligned color and size`, () => {
|
|
230
|
+
const cols = extract_columns({
|
|
231
|
+
x: [1, null, 3, 4],
|
|
232
|
+
y: [5, 6, 7, 8],
|
|
233
|
+
z: [9, 10, null, 12],
|
|
234
|
+
c: [100, 200, 300, 400],
|
|
235
|
+
sz: [10, 20, 30, 40],
|
|
236
|
+
})
|
|
237
|
+
const series = build_scatter3d_series(cols, {
|
|
238
|
+
x: `x`,
|
|
239
|
+
y: `y`,
|
|
240
|
+
z: `z`,
|
|
241
|
+
color: `c`,
|
|
242
|
+
size: `sz`,
|
|
243
|
+
})
|
|
244
|
+
expect(series.x).toEqual([1, 4])
|
|
245
|
+
expect(series.y).toEqual([5, 8])
|
|
246
|
+
expect(series.z).toEqual([9, 12])
|
|
247
|
+
expect(series.color_values).toEqual([100, 400])
|
|
248
|
+
expect(series.size_values).toEqual([10, 40])
|
|
249
|
+
})
|
|
250
|
+
})
|
|
251
|
+
|
|
252
|
+
describe(`build_bar_series`, () => {
|
|
253
|
+
test(`builds bar series with string x`, () => {
|
|
254
|
+
const cols = extract_columns({
|
|
255
|
+
material: [`Si`, `Ge`],
|
|
256
|
+
energy: [-5.4, -4.6],
|
|
257
|
+
})
|
|
258
|
+
const series = build_bar_series(cols, { x: `material`, y: `energy` })
|
|
259
|
+
expect(series.x).toEqual([`Si`, `Ge`])
|
|
260
|
+
expect(series.y).toEqual([-5.4, -4.6])
|
|
261
|
+
})
|
|
262
|
+
})
|
|
263
|
+
|
|
264
|
+
describe(`build functions return empty on missing columns`, () => {
|
|
265
|
+
const cols = extract_columns({ x: [1, 2], y: [3, 4] })
|
|
266
|
+
|
|
267
|
+
test.each([
|
|
268
|
+
[`scatter`, () => build_scatter_series(cols, { x: `x`, y: `missing` })],
|
|
269
|
+
[`scatter3d`, () => build_scatter3d_series(cols, { x: `x`, y: `y`, z: `missing` })],
|
|
270
|
+
[`bar`, () => build_bar_series(cols, { x: `missing`, y: `y` })],
|
|
271
|
+
[`histogram`, () => build_histogram_series(cols, { y: `missing` })],
|
|
272
|
+
])(`%s returns empty arrays`, (name, build) => {
|
|
273
|
+
const series = build()
|
|
274
|
+
expect(series.x).toEqual([])
|
|
275
|
+
expect(series.y).toEqual([])
|
|
276
|
+
if (name === `scatter3d`) expect((series as unknown as { z: number[] }).z).toEqual([])
|
|
277
|
+
})
|
|
278
|
+
})
|
|
279
|
+
|
|
280
|
+
describe(`build_histogram_series`, () => {
|
|
281
|
+
test(`builds histogram from y column`, () => {
|
|
282
|
+
const cols = extract_columns({ values: [1.5, 2.3, 3.1, 4.7], idx: [0, 1, 2, 3] })
|
|
283
|
+
const series = build_histogram_series(cols, { y: `values` })
|
|
284
|
+
expect(series.y).toEqual([1.5, 2.3, 3.1, 4.7])
|
|
285
|
+
expect(series.x).toEqual([0, 1, 2, 3])
|
|
286
|
+
})
|
|
287
|
+
|
|
288
|
+
test(`falls back to x mapping when y is absent`, () => {
|
|
289
|
+
const cols = extract_columns({ energy: [1.5, 2.3, 3.1], idx: [0, 1, 2] })
|
|
290
|
+
const series = build_histogram_series(cols, { x: `energy` })
|
|
291
|
+
expect(series.y).toEqual([1.5, 2.3, 3.1])
|
|
292
|
+
})
|
|
293
|
+
|
|
294
|
+
test(`filters non-numeric values`, () => {
|
|
295
|
+
const cols = extract_columns({
|
|
296
|
+
values: [1, null, 3, `bad`, 5, NaN],
|
|
297
|
+
idx: [0, 1, 2, 3, 4, 5],
|
|
298
|
+
})
|
|
299
|
+
const series = build_histogram_series(cols, { y: `values` })
|
|
300
|
+
expect(series.y).toEqual([1, 3, 5])
|
|
301
|
+
})
|
|
302
|
+
})
|
|
@@ -0,0 +1,114 @@
|
|
|
1
|
+
import { readFileSync, writeFileSync } from 'node:fs'
|
|
2
|
+
import { tmpdir } from 'node:os'
|
|
3
|
+
import { join } from 'node:path'
|
|
4
|
+
import { gunzipSync, gzipSync } from 'node:zlib'
|
|
5
|
+
import { describe, expect, test } from 'vitest'
|
|
6
|
+
import { vite_plugin_json_gz } from '../vite-plugin-json-gz'
|
|
7
|
+
|
|
8
|
+
const fixture_path = `${import.meta.dirname}/../test-fixtures/all-viz-types.json.gz`
|
|
9
|
+
const expected_data = JSON.parse(gunzipSync(readFileSync(fixture_path)).toString(`utf-8`))
|
|
10
|
+
|
|
11
|
+
function make_plugin(command: `build` | `serve` = `serve`) {
|
|
12
|
+
const plugin = vite_plugin_json_gz()
|
|
13
|
+
const config_resolved = plugin.configResolved as (cfg: { command: string }) => void
|
|
14
|
+
config_resolved.call({}, { command })
|
|
15
|
+
return plugin.load as (this: { error: (msg: string) => void }, id: string) => unknown
|
|
16
|
+
}
|
|
17
|
+
|
|
18
|
+
describe(`vite_plugin_json_gz`, () => {
|
|
19
|
+
test.each([`foo.json`, `bar.ts`, `data.gz`, `${fixture_path}?url`, `${fixture_path}?raw`])(
|
|
20
|
+
`returns null for non-matching id: %s`,
|
|
21
|
+
(id) => {
|
|
22
|
+
const load = make_plugin()
|
|
23
|
+
expect(load.call({ error: () => {} }, id)).toBeNull()
|
|
24
|
+
},
|
|
25
|
+
)
|
|
26
|
+
|
|
27
|
+
test(`dev/serve mode returns JS module matching decompressed content`, () => {
|
|
28
|
+
const load = make_plugin(`serve`)
|
|
29
|
+
const result = load.call({ error: () => {} }, fixture_path) as string
|
|
30
|
+
expect(result).toMatch(/^export default /)
|
|
31
|
+
expect(JSON.parse(result.replace(/^export default /, ``))).toEqual(expected_data)
|
|
32
|
+
})
|
|
33
|
+
|
|
34
|
+
test(`build mode returns raw JSON with moduleType:'json'`, () => {
|
|
35
|
+
const load = make_plugin(`build`)
|
|
36
|
+
const result = load.call({ error: () => {} }, fixture_path) as {
|
|
37
|
+
code: string
|
|
38
|
+
moduleType: string
|
|
39
|
+
}
|
|
40
|
+
expect(result.moduleType).toBe(`json`)
|
|
41
|
+
expect(JSON.parse(result.code)).toEqual(expected_data)
|
|
42
|
+
})
|
|
43
|
+
|
|
44
|
+
test.each([
|
|
45
|
+
[`missing file`, `/nonexistent/file.json.gz`],
|
|
46
|
+
[
|
|
47
|
+
`invalid JSON`,
|
|
48
|
+
(() => {
|
|
49
|
+
const path = join(tmpdir(), `bad-json-${Date.now()}.json.gz`)
|
|
50
|
+
writeFileSync(path, gzipSync(`{not valid json!!!`))
|
|
51
|
+
return path
|
|
52
|
+
})(),
|
|
53
|
+
],
|
|
54
|
+
])(`calls this.error for %s`, (_label, path) => {
|
|
55
|
+
const load = make_plugin()
|
|
56
|
+
const errors: string[] = []
|
|
57
|
+
load.call({ error: (msg: string) => errors.push(msg) }, path)
|
|
58
|
+
expect(errors).toHaveLength(1)
|
|
59
|
+
expect(errors[0]).toContain(`Failed to load`)
|
|
60
|
+
})
|
|
61
|
+
})
|
|
62
|
+
|
|
63
|
+
// The inline plugins in vite.config.ts strip query params before checking extensions,
|
|
64
|
+
// so they need explicit ?url skip guards — the bug that broke /convex-hull/chempot-diagram.
|
|
65
|
+
const strip_query = (path: string): string => path.replace(/\?.*$/, ``)
|
|
66
|
+
|
|
67
|
+
describe(`inline vite-plugin-json-gz query handling`, () => {
|
|
68
|
+
const should_handle = (source: string): boolean => {
|
|
69
|
+
const clean = strip_query(source)
|
|
70
|
+
if (!clean.endsWith(`.json.gz`)) return false
|
|
71
|
+
if (source.includes(`raw`) || source.includes(`url`)) return false
|
|
72
|
+
return true
|
|
73
|
+
}
|
|
74
|
+
|
|
75
|
+
test.each([
|
|
76
|
+
[`bare .json.gz import`, `data.json.gz`, true],
|
|
77
|
+
[`?url import`, `data.json.gz?url`, false],
|
|
78
|
+
[`?raw import`, `data.json.gz?raw`, false],
|
|
79
|
+
[`non .json.gz`, `data.json`, false],
|
|
80
|
+
[`glob ?url import`, `/src/site/chempot-diagram/entries.json.gz?url`, false],
|
|
81
|
+
[`glob eager import`, `/src/site/phonons/data.json.gz`, true],
|
|
82
|
+
])(`%s → handled: %s`, (_label, source, expected) => {
|
|
83
|
+
expect(should_handle(source)).toBe(expected)
|
|
84
|
+
})
|
|
85
|
+
})
|
|
86
|
+
|
|
87
|
+
describe(`inline vite-plugin-raw-text query handling`, () => {
|
|
88
|
+
const TEXT_EXT_RE = /\.(xyz|extxyz|cif|poscar|lammpstrj|yaml\.gz)$/
|
|
89
|
+
|
|
90
|
+
const should_handle = (source: string): boolean => {
|
|
91
|
+
if (source.includes(`url`)) return false
|
|
92
|
+
const clean = strip_query(source)
|
|
93
|
+
const is_raw_gz = clean.endsWith(`.json.gz`) && source.includes(`raw`)
|
|
94
|
+
return TEXT_EXT_RE.test(clean) || is_raw_gz
|
|
95
|
+
}
|
|
96
|
+
|
|
97
|
+
test.each([
|
|
98
|
+
[`bare .xyz`, `trajectory.xyz`, true],
|
|
99
|
+
[`?raw .xyz`, `trajectory.xyz?raw`, true],
|
|
100
|
+
[`?url .xyz`, `trajectory.xyz?url`, false],
|
|
101
|
+
[`bare .extxyz`, `atoms.extxyz`, true],
|
|
102
|
+
[`?url .extxyz`, `atoms.extxyz?url`, false],
|
|
103
|
+
[`bare .cif`, `structure.cif`, true],
|
|
104
|
+
[`?url .cif`, `structure.cif?url`, false],
|
|
105
|
+
[`bare .lammpstrj`, `dump.lammpstrj`, true],
|
|
106
|
+
[`?url .lammpstrj`, `dump.lammpstrj?url`, false],
|
|
107
|
+
[`?raw .json.gz`, `data.json.gz?raw`, true],
|
|
108
|
+
[`?url .json.gz`, `data.json.gz?url`, false],
|
|
109
|
+
[`non-text file`, `image.png`, false],
|
|
110
|
+
[`.json (no gz)`, `data.json`, false],
|
|
111
|
+
])(`%s → handled: %s`, (_label, source, expected) => {
|
|
112
|
+
expect(should_handle(source)).toBe(expected)
|
|
113
|
+
})
|
|
114
|
+
})
|
|
@@ -0,0 +1,18 @@
|
|
|
1
|
+
import type { Plugin } from 'vite'
|
|
2
|
+
|
|
3
|
+
export const mock_vscode = (): Plugin => ({
|
|
4
|
+
name: `vscode-mock`,
|
|
5
|
+
enforce: `pre`,
|
|
6
|
+
resolveId: (module_id) => (module_id === `vscode` ? `\0vscode-mock` : null),
|
|
7
|
+
load: (module_id) =>
|
|
8
|
+
module_id === `\0vscode-mock`
|
|
9
|
+
? `
|
|
10
|
+
export const __noop = () => undefined
|
|
11
|
+
const __proxy = new Proxy(function(){}, { get: () => __proxy, apply: () => undefined, construct: () => ({}) })
|
|
12
|
+
export const window = __proxy
|
|
13
|
+
export const commands = __proxy
|
|
14
|
+
export const workspace = __proxy
|
|
15
|
+
export default { window, commands, workspace }
|
|
16
|
+
`
|
|
17
|
+
: null,
|
|
18
|
+
})
|
|
@@ -0,0 +1,231 @@
|
|
|
1
|
+
import { afterEach, describe, expect, test, vi } from 'vitest'
|
|
2
|
+
import { base64_to_array_buffer, setup_vscode_download } from '../src/webview/main'
|
|
3
|
+
|
|
4
|
+
declare global {
|
|
5
|
+
// download function added by VSCode integration
|
|
6
|
+
var download: (content: string | Blob, filename: string, contentType: string) => void
|
|
7
|
+
}
|
|
8
|
+
|
|
9
|
+
describe(`Webview Integration - ASE Binary Trajectory Support`, () => {
|
|
10
|
+
test.each([
|
|
11
|
+
[`SGVsbG8gV29ybGQ=`, `Hello World`, 11], // Basic ASCII
|
|
12
|
+
[`QUJDREVGR0g=`, `ABCDEFGH`, 8], // Another ASCII
|
|
13
|
+
[``, ``, 0], // Empty string
|
|
14
|
+
[`QQ==`, `A`, 1], // Single character
|
|
15
|
+
[`QUI=`, `AB`, 2], // Two characters
|
|
16
|
+
])(`base64_to_array_buffer: %s → %s (%i bytes)`, (base64, expected, byte_length) => {
|
|
17
|
+
const result = base64_to_array_buffer(base64)
|
|
18
|
+
expect(result).toBeInstanceOf(ArrayBuffer)
|
|
19
|
+
expect(result.byteLength).toBe(byte_length)
|
|
20
|
+
expect(new TextDecoder().decode(result)).toBe(expected)
|
|
21
|
+
})
|
|
22
|
+
|
|
23
|
+
test(`handles ASE trajectory file header correctly`, () => {
|
|
24
|
+
const ase_header = new Uint8Array([
|
|
25
|
+
0x2d, 0x20, 0x6f, 0x66, 0x20, 0x55, 0x6c, 0x6d, 0x41, 0x53, 0x45, 0x2d, 0x54, 0x72, 0x61,
|
|
26
|
+
0x6a,
|
|
27
|
+
])
|
|
28
|
+
const result = base64_to_array_buffer(btoa(String.fromCharCode(...ase_header)))
|
|
29
|
+
expect(result.byteLength).toBe(ase_header.length)
|
|
30
|
+
expect(new TextDecoder().decode(result.slice(0, 8))).toBe(`- of Ulm`)
|
|
31
|
+
})
|
|
32
|
+
|
|
33
|
+
test(`preserves byte order and handles performance`, () => {
|
|
34
|
+
const test_bytes = new Uint8Array([0x00, 0x01, 0x02, 0x03, 0xff, 0xfe, 0xfd, 0xfc])
|
|
35
|
+
const result = base64_to_array_buffer(btoa(String.fromCharCode(...test_bytes)))
|
|
36
|
+
expect(Array.from(new Uint8Array(result))).toEqual(Array.from(test_bytes))
|
|
37
|
+
|
|
38
|
+
const large_data = new Uint8Array(10000).fill(42)
|
|
39
|
+
const start = performance.now()
|
|
40
|
+
const large_result = base64_to_array_buffer(btoa(String.fromCharCode(...large_data)))
|
|
41
|
+
expect(performance.now() - start).toBeLessThan(100)
|
|
42
|
+
expect(large_result.byteLength).toBe(large_data.length)
|
|
43
|
+
})
|
|
44
|
+
|
|
45
|
+
test.each([1024, 8192, 32768])(
|
|
46
|
+
`handles typical ASE trajectory file size: %i bytes`,
|
|
47
|
+
(size) => {
|
|
48
|
+
const data = new Uint8Array(size)
|
|
49
|
+
for (let idx = 0; idx < size; idx++) data[idx] = idx % 256
|
|
50
|
+
const result = base64_to_array_buffer(btoa(String.fromCharCode(...data)))
|
|
51
|
+
const result_array = new Uint8Array(result)
|
|
52
|
+
expect(result.byteLength).toBe(size)
|
|
53
|
+
expect(result_array[0]).toBe(0)
|
|
54
|
+
expect(result_array[255]).toBe(255)
|
|
55
|
+
expect(result_array[size - 1]).toBe((size - 1) % 256)
|
|
56
|
+
},
|
|
57
|
+
)
|
|
58
|
+
|
|
59
|
+
test(`ASE trajectory file regression test - simulates VS Code extension flow`, () => {
|
|
60
|
+
const ase_data = new Uint8Array([
|
|
61
|
+
0x2d,
|
|
62
|
+
0x20,
|
|
63
|
+
0x6f,
|
|
64
|
+
0x66,
|
|
65
|
+
0x20,
|
|
66
|
+
0x55,
|
|
67
|
+
0x6c,
|
|
68
|
+
0x6d, // "- of Ulm"
|
|
69
|
+
0x41,
|
|
70
|
+
0x53,
|
|
71
|
+
0x45,
|
|
72
|
+
0x2d,
|
|
73
|
+
0x54,
|
|
74
|
+
0x72,
|
|
75
|
+
0x61,
|
|
76
|
+
0x6a,
|
|
77
|
+
0x65,
|
|
78
|
+
0x63,
|
|
79
|
+
0x74,
|
|
80
|
+
0x6f,
|
|
81
|
+
0x72,
|
|
82
|
+
0x79,
|
|
83
|
+
0x00,
|
|
84
|
+
0x00, // "ASE-Trajectory"
|
|
85
|
+
...Array(176).fill(0), // Mock trajectory data
|
|
86
|
+
])
|
|
87
|
+
const result = base64_to_array_buffer(btoa(String.fromCharCode(...ase_data)))
|
|
88
|
+
const result_array = new Uint8Array(result)
|
|
89
|
+
expect(result.byteLength).toBe(ase_data.length)
|
|
90
|
+
expect(new TextDecoder().decode(result_array.slice(0, 8))).toBe(`- of Ulm`)
|
|
91
|
+
expect(new TextDecoder().decode(result_array.slice(8, 24)).replace(/\0/g, ``)).toBe(
|
|
92
|
+
`ASE-Trajectory`,
|
|
93
|
+
)
|
|
94
|
+
})
|
|
95
|
+
})
|
|
96
|
+
|
|
97
|
+
describe(`VSCode Download Integration`, () => {
|
|
98
|
+
afterEach(vi.useRealTimers)
|
|
99
|
+
|
|
100
|
+
test(`sets up global download override when VSCode API is available`, async () => {
|
|
101
|
+
vi.resetModules() // Reset modules to clear cached vscode_api variable in webview/main.ts
|
|
102
|
+
const mock_post_message = vi.fn()
|
|
103
|
+
globalThis.acquireVsCodeApi = vi.fn(() => ({
|
|
104
|
+
postMessage: mock_post_message,
|
|
105
|
+
setState: vi.fn(),
|
|
106
|
+
getState: vi.fn(),
|
|
107
|
+
}))
|
|
108
|
+
const { setup_vscode_download } = await import(`../src/webview/main`)
|
|
109
|
+
setup_vscode_download()
|
|
110
|
+
expect(typeof globalThis.download).toBe(`function`)
|
|
111
|
+
globalThis.download(`test content`, `test.json`, `application/json`)
|
|
112
|
+
expect(mock_post_message).toHaveBeenCalledWith({
|
|
113
|
+
command: `saveAs`,
|
|
114
|
+
content: `test content`,
|
|
115
|
+
filename: `test.json`,
|
|
116
|
+
is_binary: false,
|
|
117
|
+
})
|
|
118
|
+
})
|
|
119
|
+
|
|
120
|
+
test(`handles binary data (PNG) correctly`, async () => {
|
|
121
|
+
vi.useFakeTimers()
|
|
122
|
+
vi.resetModules()
|
|
123
|
+
let load_listener: (() => void) | undefined
|
|
124
|
+
let result: string | null = null
|
|
125
|
+
|
|
126
|
+
globalThis.FileReader = vi.fn(function (this: FileReader) {
|
|
127
|
+
this.readAsDataURL = vi.fn((blob: Blob) => {
|
|
128
|
+
setTimeout(async () => {
|
|
129
|
+
// Read actual Blob content for end-to-end correctness
|
|
130
|
+
const array_buffer = await blob.arrayBuffer()
|
|
131
|
+
const uint8_array = new Uint8Array(array_buffer)
|
|
132
|
+
const binary_string = String.fromCharCode(...uint8_array)
|
|
133
|
+
const base64_string = btoa(binary_string)
|
|
134
|
+
result = `data:${blob.type};base64,${base64_string}`
|
|
135
|
+
load_listener?.()
|
|
136
|
+
}, 0)
|
|
137
|
+
})
|
|
138
|
+
this.addEventListener = vi.fn((type: string, listener: EventListener) => {
|
|
139
|
+
if (type === `load`) load_listener = listener as () => void
|
|
140
|
+
})
|
|
141
|
+
Object.defineProperty(this, `result`, { get: () => result })
|
|
142
|
+
}) as unknown as typeof FileReader
|
|
143
|
+
|
|
144
|
+
const mock_post_message = vi.fn()
|
|
145
|
+
globalThis.acquireVsCodeApi = vi.fn(() => ({
|
|
146
|
+
postMessage: mock_post_message,
|
|
147
|
+
setState: vi.fn(),
|
|
148
|
+
getState: vi.fn(),
|
|
149
|
+
}))
|
|
150
|
+
const { setup_vscode_download } = await import(`../src/webview/main`)
|
|
151
|
+
setup_vscode_download()
|
|
152
|
+
globalThis.download(
|
|
153
|
+
new Blob([`fake png data`], { type: `image/png` }),
|
|
154
|
+
`structure.png`,
|
|
155
|
+
`image/png`,
|
|
156
|
+
)
|
|
157
|
+
await vi.runAllTimersAsync()
|
|
158
|
+
|
|
159
|
+
expect(mock_post_message).toHaveBeenCalledWith({
|
|
160
|
+
command: `saveAs`,
|
|
161
|
+
content: `data:image/png;base64,ZmFrZSBwbmcgZGF0YQ==`,
|
|
162
|
+
filename: `structure.png`,
|
|
163
|
+
is_binary: true,
|
|
164
|
+
})
|
|
165
|
+
})
|
|
166
|
+
|
|
167
|
+
test.each([``, ` `])(`rejects invalid filename: "%s"`, (filename) => {
|
|
168
|
+
vi.resetModules()
|
|
169
|
+
const mock_post_message = vi.fn()
|
|
170
|
+
globalThis.acquireVsCodeApi = vi.fn(() => ({
|
|
171
|
+
postMessage: mock_post_message,
|
|
172
|
+
setState: vi.fn(),
|
|
173
|
+
getState: vi.fn(),
|
|
174
|
+
}))
|
|
175
|
+
setup_vscode_download()
|
|
176
|
+
|
|
177
|
+
globalThis.download(`test content`, filename, `application/json`)
|
|
178
|
+
expect(mock_post_message).not.toHaveBeenCalled()
|
|
179
|
+
})
|
|
180
|
+
|
|
181
|
+
test(`handles FileReader errors for binary data`, async () => {
|
|
182
|
+
vi.useFakeTimers()
|
|
183
|
+
vi.resetModules()
|
|
184
|
+
let error_listener: (() => void) | undefined
|
|
185
|
+
|
|
186
|
+
globalThis.FileReader = vi.fn(function (this: FileReader) {
|
|
187
|
+
this.readAsDataURL = vi.fn(() => setTimeout(() => error_listener?.(), 0))
|
|
188
|
+
this.addEventListener = vi.fn((type: string, listener: EventListener) => {
|
|
189
|
+
if (type === `error`) error_listener = listener as () => void
|
|
190
|
+
})
|
|
191
|
+
}) as unknown as typeof FileReader
|
|
192
|
+
|
|
193
|
+
const mock_post_message = vi.fn()
|
|
194
|
+
globalThis.acquireVsCodeApi = vi.fn(() => ({
|
|
195
|
+
postMessage: mock_post_message,
|
|
196
|
+
setState: vi.fn(),
|
|
197
|
+
getState: vi.fn(),
|
|
198
|
+
}))
|
|
199
|
+
const { setup_vscode_download } = await import(`../src/webview/main`)
|
|
200
|
+
setup_vscode_download()
|
|
201
|
+
globalThis.download(new Blob([`data`]), `test.png`, `image/png`)
|
|
202
|
+
await vi.runAllTimersAsync()
|
|
203
|
+
|
|
204
|
+
expect(mock_post_message).toHaveBeenCalledWith({
|
|
205
|
+
command: `error`,
|
|
206
|
+
text: `Failed to read binary data for download`,
|
|
207
|
+
})
|
|
208
|
+
})
|
|
209
|
+
|
|
210
|
+
test(`handles general exceptions during download`, async () => {
|
|
211
|
+
vi.resetModules()
|
|
212
|
+
const mock_post_message = vi.fn()
|
|
213
|
+
globalThis.acquireVsCodeApi = vi.fn(() => ({
|
|
214
|
+
postMessage: mock_post_message,
|
|
215
|
+
setState: vi.fn(),
|
|
216
|
+
getState: vi.fn(),
|
|
217
|
+
}))
|
|
218
|
+
const { setup_vscode_download } = await import(`../src/webview/main`)
|
|
219
|
+
setup_vscode_download()
|
|
220
|
+
|
|
221
|
+
mock_post_message.mockImplementationOnce(() => {
|
|
222
|
+
throw new Error(`Network error`)
|
|
223
|
+
})
|
|
224
|
+
|
|
225
|
+
globalThis.download(`test content`, `test.json`, `application/json`)
|
|
226
|
+
expect(mock_post_message).toHaveBeenCalledWith({
|
|
227
|
+
command: `error`,
|
|
228
|
+
text: `Download failed: Error: Network error`,
|
|
229
|
+
})
|
|
230
|
+
})
|
|
231
|
+
})
|