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
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- /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
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<script lang="ts">
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import type { BrillouinZoneData } from '../brillouin'
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import { compute_brillouin_zone, reciprocal_lattice } from '../brillouin'
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import Icon from '../Icon.svelte'
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import { create_file_drop_handler, load_from_url } from '../io'
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import { set_fullscreen_bg, toggle_fullscreen } from '../layout'
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import { PlotTooltip } from '../plot'
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import type { CameraProjection } from '../settings'
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import { DEFAULTS } from '../settings'
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import type { Crystal } from '../structure'
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import { Canvas } from '@threlte/core'
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import type { ComponentProps, Snippet } from 'svelte'
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import { untrack } from 'svelte'
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import { tooltip } from 'svelte-multiselect/attachments'
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import type { HTMLAttributes } from 'svelte/elements'
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import type { Camera, Scene } from 'three'
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import { detect_irreducible_bz, extract_fermi_surface } from './compute'
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import FermiSurfaceControls from './FermiSurfaceControls.svelte'
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import FermiSurfaceScene from './FermiSurfaceScene.svelte'
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import FermiSurfaceTooltip from './FermiSurfaceTooltip.svelte'
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import { parse_fermi_file } from './parse'
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import type {
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BandGridData,
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ColorProperty,
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FermiErrorData,
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FermiFileLoadData,
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FermiHoverData,
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FermiSurfaceData,
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FermiTooltipConfig,
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RepresentationMode,
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} from './types'
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type FermiHandlerData = {
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fermi_data?: FermiSurfaceData
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band_data?: BandGridData
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filename?: string
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fullscreen?: boolean
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structure,
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custom_property_label,
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representation = $bindable(`solid`),
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data_url,
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[{ fermi_data?: FermiSurfaceData; bz_data?: BrillouinZoneData }]
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>
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tooltip_config?: Snippet<[{ hover_data: FermiHoverData }]> | FermiTooltipConfig
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} & HTMLAttributes<HTMLDivElement> = $props()
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let current_filename = $state<string | undefined>(undefined)
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let recompute_job_id = 0 // monotonic counter to track latest recompute call
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let hover_data = $state<FermiHoverData | null>(null)
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$effect(() => {
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})
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let controls_config = $derived(normalize_show_controls(show_controls))
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// Yield to browser so spinner can render before heavy computation
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requestAnimationFrame(() => requestAnimationFrame(() => r()))
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)
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// Parse and load Fermi surface from content (async for UI responsiveness)
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async function parse_fermi_content(
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content: string | ArrayBuffer,
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) {
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? new TextDecoder().decode(content)
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: content
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const parsed = parse_fermi_file(text, filename)
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} else {
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band_data = parsed as BandGridData
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}
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on_file_load?.({ fermi_data, band_data, filename, file_size })
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}
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// Load with error handling
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async function safe_parse(content: string | ArrayBuffer, filename: string) {
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try {
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} catch (err) {
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error_msg = `Failed to parse ${filename}: ${
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err instanceof Error ? err.message : err
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}`
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}
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}
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async function recompute_fermi_surface() {
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if (!band_data) return
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const job_id = ++recompute_job_id // capture this job's ID
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await tick() // yield to check for newer jobs before committing to work
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// Check if this job is still the latest before proceeding
|
|
217
|
-
// If stale, return without setting loading - the superseding job handles it
|
|
218
|
-
if (job_id !== recompute_job_id) return
|
|
219
|
-
// Only set loading after stale check to avoid orphaned loading states
|
|
220
|
-
loading = true
|
|
221
|
-
try {
|
|
222
|
-
const result = extract_fermi_surface(band_data, {
|
|
223
|
-
mu,
|
|
224
|
-
wigner_seitz: true,
|
|
225
|
-
interpolation_factor,
|
|
226
|
-
})
|
|
227
|
-
// Only update state if this is still the latest job
|
|
228
|
-
if (job_id === recompute_job_id) {
|
|
229
|
-
fermi_data = result
|
|
230
|
-
}
|
|
231
|
-
} catch (err) {
|
|
232
|
-
console.error(`Failed to re-extract Fermi surface:`, err)
|
|
233
|
-
} finally {
|
|
234
|
-
// Only clear loading if this is still the latest job
|
|
235
|
-
if (job_id === recompute_job_id) loading = false
|
|
236
|
-
}
|
|
237
|
-
}
|
|
238
|
-
|
|
239
|
-
// Debounce recompute to avoid excessive re-computation during rapid slider drags
|
|
240
|
-
let recompute_timeout: ReturnType<typeof setTimeout>
|
|
241
|
-
|
|
242
|
-
function handle_mu_change(new_mu: number) {
|
|
243
|
-
mu = new_mu
|
|
244
|
-
clearTimeout(recompute_timeout)
|
|
245
|
-
recompute_timeout = setTimeout(() => void recompute_fermi_surface(), 150)
|
|
246
|
-
on_mu_change?.(new_mu)
|
|
247
|
-
}
|
|
248
|
-
|
|
249
|
-
function handle_interpolation_change(new_factor: number) {
|
|
250
|
-
interpolation_factor = new_factor
|
|
251
|
-
clearTimeout(recompute_timeout)
|
|
252
|
-
recompute_timeout = setTimeout(() => void recompute_fermi_surface(), 150)
|
|
253
|
-
}
|
|
254
|
-
|
|
255
|
-
// Export Fermi surface to various formats
|
|
256
|
-
async function handle_export(format: `stl` | `obj` | `gltf`) {
|
|
257
|
-
if (!scene) {
|
|
258
|
-
console.error(`No scene available for export`)
|
|
259
|
-
return
|
|
260
|
-
}
|
|
261
|
-
try {
|
|
262
|
-
const { export_scene } = await import(`./export`)
|
|
263
|
-
await export_scene(scene, format, current_filename || `fermi-surface`)
|
|
264
|
-
} catch (err) {
|
|
265
|
-
console.error(`Export failed:`, err)
|
|
266
|
-
error_msg = `Export failed: ${err instanceof Error ? err.message : err}`
|
|
267
|
-
}
|
|
268
|
-
}
|
|
269
|
-
|
|
270
|
-
// Compute BZ when structure or fermi_data changes
|
|
271
|
-
$effect(() => {
|
|
272
|
-
// Get k_lattice from available sources (priority order)
|
|
273
|
-
const k_lattice = fermi_data?.k_lattice ??
|
|
274
|
-
band_data?.k_lattice ??
|
|
275
|
-
(structure?.lattice?.matrix
|
|
276
|
-
? reciprocal_lattice(structure.lattice.matrix)
|
|
277
|
-
: null)
|
|
278
|
-
|
|
279
|
-
if (!k_lattice) {
|
|
280
|
-
bz_data = undefined
|
|
281
|
-
return
|
|
282
|
-
}
|
|
283
|
-
|
|
284
|
-
try {
|
|
285
|
-
bz_data = compute_brillouin_zone(k_lattice, 1)
|
|
286
|
-
} catch (err) {
|
|
287
|
-
const msg = err instanceof Error ? err.message : String(err)
|
|
288
|
-
console.warn(`BZ computation failed:`, msg)
|
|
289
|
-
bz_data = undefined
|
|
290
|
-
// Only report error for structure-derived lattice (user-provided data)
|
|
291
|
-
if (structure?.lattice?.matrix) {
|
|
292
|
-
const err_msg = `BZ computation failed: ${msg}`
|
|
293
|
-
error_msg = err_msg
|
|
294
|
-
untrack(() => on_error?.({ error_msg: err_msg }))
|
|
295
|
-
}
|
|
296
|
-
}
|
|
297
|
-
})
|
|
298
|
-
|
|
299
|
-
// Auto-enable BZ tiling when irreducible data is detected
|
|
300
|
-
$effect(() => {
|
|
301
|
-
if (fermi_data && detect_irreducible_bz(fermi_data)) {
|
|
302
|
-
tile_bz = true
|
|
303
|
-
}
|
|
304
|
-
})
|
|
305
|
-
|
|
306
|
-
// Load from URL (with race condition protection for rapid URL changes)
|
|
307
|
-
let load_id = 0
|
|
308
|
-
$effect(() => {
|
|
309
|
-
if (data_url && !fermi_data && !band_data) {
|
|
310
|
-
const current_load_id = ++load_id
|
|
311
|
-
loading = true
|
|
312
|
-
error_msg = undefined
|
|
313
|
-
load_from_url(data_url, safe_parse)
|
|
314
|
-
.catch((err) => {
|
|
315
|
-
if (current_load_id !== load_id) return // stale request
|
|
316
|
-
error_msg = err instanceof Error ? err.message : String(err)
|
|
317
|
-
on_error?.({ error_msg, filename: data_url })
|
|
318
|
-
})
|
|
319
|
-
.finally(() => {
|
|
320
|
-
if (current_load_id === load_id) loading = false
|
|
321
|
-
})
|
|
322
|
-
}
|
|
323
|
-
})
|
|
324
|
-
|
|
325
|
-
const handle_file_drop = create_file_drop_handler({
|
|
326
|
-
allow: () => allow_file_drop,
|
|
327
|
-
on_drop: async (content, filename) => {
|
|
328
|
-
on_file_drop?.(filename)
|
|
329
|
-
await safe_parse(content, filename)
|
|
330
|
-
},
|
|
331
|
-
on_error: (msg) => {
|
|
332
|
-
error_msg = msg
|
|
333
|
-
on_error?.({ error_msg: msg })
|
|
334
|
-
},
|
|
335
|
-
set_loading: (val) => {
|
|
336
|
-
loading = val
|
|
337
|
-
if (val) [error_msg, dragover] = [undefined, false]
|
|
338
|
-
},
|
|
339
|
-
})
|
|
340
|
-
|
|
341
|
-
function handle_keydown(event: KeyboardEvent) {
|
|
342
|
-
const target = event.target as HTMLElement
|
|
343
|
-
if ([`INPUT`, `TEXTAREA`].includes(target.tagName)) return
|
|
344
|
-
// Only handle shortcuts when component is focused/hovered or contains focus
|
|
345
|
-
if (!wrapper?.contains(document.activeElement) && !hovered) return
|
|
346
|
-
|
|
347
|
-
if (event.key === `f` && fullscreen_toggle) toggle_fullscreen(wrapper)
|
|
348
|
-
else if (event.key === `Escape`) controls_open = false
|
|
349
|
-
}
|
|
350
|
-
|
|
351
|
-
$effect(() => {
|
|
352
|
-
if (typeof window === `undefined`) return
|
|
353
|
-
const fs_el = document.fullscreenElement
|
|
354
|
-
if (fullscreen && fs_el !== wrapper && wrapper) {
|
|
355
|
-
wrapper.requestFullscreen().catch((err) => {
|
|
356
|
-
console.error(err)
|
|
357
|
-
fullscreen = false
|
|
358
|
-
})
|
|
359
|
-
} else if (!fullscreen && fs_el === wrapper) document.exitFullscreen()
|
|
360
|
-
set_fullscreen_bg(wrapper, fullscreen, `--fermi-bg-fullscreen`)
|
|
361
|
-
})
|
|
362
|
-
</script>
|
|
363
|
-
|
|
364
|
-
<svelte:window onkeydown={handle_keydown} />
|
|
365
|
-
|
|
366
|
-
<svelte:document
|
|
367
|
-
onfullscreenchange={() => {
|
|
368
|
-
fullscreen = Boolean(document.fullscreenElement)
|
|
369
|
-
on_fullscreen_change?.({ fermi_data, bz_data, fullscreen })
|
|
370
|
-
}}
|
|
371
|
-
/>
|
|
372
|
-
|
|
373
|
-
<div
|
|
374
|
-
class:dragover
|
|
375
|
-
class:active={controls_open}
|
|
376
|
-
role="region"
|
|
377
|
-
aria-label="Fermi surface viewer"
|
|
378
|
-
bind:this={wrapper}
|
|
379
|
-
bind:clientWidth={width}
|
|
380
|
-
bind:clientHeight={height}
|
|
381
|
-
onmouseenter={() => (hovered = true)}
|
|
382
|
-
onmouseleave={() => (hovered = false)}
|
|
383
|
-
ondrop={handle_file_drop}
|
|
384
|
-
ondragover={(event) => {
|
|
385
|
-
event.preventDefault()
|
|
386
|
-
if (!allow_file_drop) return
|
|
387
|
-
dragover = true
|
|
388
|
-
}}
|
|
389
|
-
ondragleave={(event) => {
|
|
390
|
-
event.preventDefault()
|
|
391
|
-
dragover = false
|
|
392
|
-
}}
|
|
393
|
-
{...rest}
|
|
394
|
-
class="fermi-surface {rest.class ?? ``}"
|
|
395
|
-
>
|
|
396
|
-
{@render children?.({ fermi_data, bz_data })}
|
|
397
|
-
{#if loading}
|
|
398
|
-
<Spinner
|
|
399
|
-
text="Loading Fermi surface..."
|
|
400
|
-
style="position: absolute; top: 50%; left: 50%; transform: translate(-50%, -50%)"
|
|
401
|
-
{...spinner_props}
|
|
402
|
-
/>
|
|
403
|
-
{:else if error_msg}
|
|
404
|
-
<StatusMessage bind:message={error_msg} type="error" dismissible />
|
|
405
|
-
{:else if fermi_data || band_data}
|
|
406
|
-
<section
|
|
407
|
-
class="control-buttons {controls_config.class}"
|
|
408
|
-
style={controls_config.style}
|
|
409
|
-
>
|
|
410
|
-
{#if controls_config.mode !== `never`}
|
|
411
|
-
{#if current_filename && controls_config.visible(`filename`)}
|
|
412
|
-
<span class="filename">{current_filename}</span>
|
|
413
|
-
{/if}
|
|
414
|
-
|
|
415
|
-
{#if fullscreen_toggle && controls_config.visible(`fullscreen`)}
|
|
416
|
-
<button
|
|
417
|
-
type="button"
|
|
418
|
-
onclick={() => fullscreen_toggle && toggle_fullscreen(wrapper)}
|
|
419
|
-
title="{fullscreen ? `Exit` : `Enter`} fullscreen"
|
|
420
|
-
aria-pressed={fullscreen}
|
|
421
|
-
class="fullscreen-toggle"
|
|
422
|
-
{@attach tooltip()}
|
|
423
|
-
>
|
|
424
|
-
{#if typeof fullscreen_toggle === `function`}
|
|
425
|
-
{@render fullscreen_toggle({ fullscreen })}
|
|
426
|
-
{:else}
|
|
427
|
-
<Icon icon="{fullscreen ? `Exit` : ``}Fullscreen" />
|
|
428
|
-
{/if}
|
|
429
|
-
</button>
|
|
430
|
-
{/if}
|
|
431
|
-
|
|
432
|
-
{#if controls_config.visible(`controls`)}
|
|
433
|
-
<FermiSurfaceControls
|
|
434
|
-
bind:controls_open
|
|
435
|
-
{fermi_data}
|
|
436
|
-
{band_data}
|
|
437
|
-
bind:mu
|
|
438
|
-
bind:color_property
|
|
439
|
-
bind:color_scale
|
|
440
|
-
{custom_property_label}
|
|
441
|
-
bind:representation
|
|
442
|
-
bind:surface_opacity
|
|
443
|
-
bind:selected_bands
|
|
444
|
-
bind:show_bz
|
|
445
|
-
bind:bz_opacity
|
|
446
|
-
bind:show_vectors
|
|
447
|
-
bind:tile_bz
|
|
448
|
-
bind:clip_enabled
|
|
449
|
-
bind:clip_axis
|
|
450
|
-
bind:clip_position
|
|
451
|
-
bind:clip_flip
|
|
452
|
-
bind:interpolation_factor
|
|
453
|
-
bind:camera_projection
|
|
454
|
-
on_mu_change={handle_mu_change}
|
|
455
|
-
on_interpolation_change={handle_interpolation_change}
|
|
456
|
-
on_export={handle_export}
|
|
457
|
-
/>
|
|
458
|
-
{/if}
|
|
459
|
-
{/if}
|
|
460
|
-
</section>
|
|
461
|
-
|
|
462
|
-
{#if typeof WebGLRenderingContext !== `undefined`}
|
|
463
|
-
<Canvas renderMode="on-demand" dpr={Math.min(2, window.devicePixelRatio)}>
|
|
464
|
-
<FermiSurfaceScene
|
|
465
|
-
{fermi_data}
|
|
466
|
-
{bz_data}
|
|
467
|
-
{color_property}
|
|
468
|
-
{color_scale}
|
|
469
|
-
{representation}
|
|
470
|
-
{surface_opacity}
|
|
471
|
-
{selected_bands}
|
|
472
|
-
{show_bz}
|
|
473
|
-
{bz_opacity}
|
|
474
|
-
{show_vectors}
|
|
475
|
-
{tile_bz}
|
|
476
|
-
{clip_enabled}
|
|
477
|
-
{clip_axis}
|
|
478
|
-
{clip_position}
|
|
479
|
-
{clip_flip}
|
|
480
|
-
{camera_projection}
|
|
481
|
-
bind:scene
|
|
482
|
-
bind:camera
|
|
483
|
-
bind:hover_data
|
|
484
|
-
/>
|
|
485
|
-
</Canvas>
|
|
486
|
-
|
|
487
|
-
<!-- Hover tooltip -->
|
|
488
|
-
{#if hover_data}
|
|
489
|
-
<PlotTooltip
|
|
490
|
-
x={hover_data.screen_position.x}
|
|
491
|
-
y={hover_data.screen_position.y}
|
|
492
|
-
offset={{ x: 12, y: -12 }}
|
|
493
|
-
bg_color={hover_data.surface_color}
|
|
494
|
-
fixed
|
|
495
|
-
style="z-index: 100000001; backdrop-filter: blur(4px); box-shadow: 0 4px 12px rgba(0, 0, 0, 0.3)"
|
|
496
|
-
>
|
|
497
|
-
<FermiSurfaceTooltip {hover_data} tooltip={tooltip_config} />
|
|
498
|
-
</PlotTooltip>
|
|
499
|
-
{/if}
|
|
500
|
-
{/if}
|
|
501
|
-
{:else}
|
|
502
|
-
<EmptyState>
|
|
503
|
-
<h3 id="drop-fermi-surface-file">Drop Fermi Surface File</h3>
|
|
504
|
-
<p>Supports BXSF, FRMSF, JSON (+ .gz)</p>
|
|
505
|
-
</EmptyState>
|
|
506
|
-
{/if}
|
|
507
|
-
</div>
|
|
508
|
-
|
|
509
|
-
<style>
|
|
510
|
-
.fermi-surface {
|
|
511
|
-
position: relative;
|
|
512
|
-
container-type: size;
|
|
513
|
-
height: var(--fermi-height, 500px);
|
|
514
|
-
width: var(--fermi-width, 100%);
|
|
515
|
-
max-width: var(--fermi-max-width, 100%);
|
|
516
|
-
min-width: var(--fermi-min-width, 300px);
|
|
517
|
-
border-radius: var(--fermi-border-radius, var(--border-radius, 3pt));
|
|
518
|
-
background: var(--fermi-bg, var(--surface-bg));
|
|
519
|
-
color: var(--fermi-text-color, var(--text-color));
|
|
520
|
-
}
|
|
521
|
-
/* Clip threlte HTML overlays (b₁/b₂/b₃ labels) when they fall outside canvas bounds.
|
|
522
|
-
Targets threlte-generated container (parent of canvas), not main wrapper
|
|
523
|
-
so control pane can still be dragged outside component bounds.
|
|
524
|
-
Fallback for browsers without :has() - targets any direct child div */
|
|
525
|
-
.fermi-surface :global(> div) {
|
|
526
|
-
overflow: hidden;
|
|
527
|
-
}
|
|
528
|
-
/* Modern browsers: reset overflow for non-canvas containers */
|
|
529
|
-
@supports selector(:has(> canvas)) {
|
|
530
|
-
.fermi-surface :global(> div:not(:has(> canvas))) {
|
|
531
|
-
overflow: visible;
|
|
532
|
-
}
|
|
533
|
-
}
|
|
534
|
-
.fermi-surface.active {
|
|
535
|
-
z-index: var(--fermi-active-z-index, 2);
|
|
536
|
-
}
|
|
537
|
-
.fermi-surface:fullscreen {
|
|
538
|
-
background: var(--fermi-bg-fullscreen, var(--surface-bg));
|
|
539
|
-
overflow: hidden;
|
|
540
|
-
}
|
|
541
|
-
.fermi-surface:fullscreen :global(canvas) {
|
|
542
|
-
height: 100vh !important;
|
|
543
|
-
width: 100vw !important;
|
|
544
|
-
}
|
|
545
|
-
.fermi-surface.dragover {
|
|
546
|
-
background: var(--fermi-dragover-bg, var(--dragover-bg));
|
|
547
|
-
border: var(--fermi-dragover-border, var(--dragover-border));
|
|
548
|
-
}
|
|
549
|
-
.fermi-surface :global(canvas) {
|
|
550
|
-
user-select: none;
|
|
551
|
-
}
|
|
552
|
-
section.control-buttons {
|
|
553
|
-
position: absolute;
|
|
554
|
-
display: flex;
|
|
555
|
-
top: var(--fermi-buttons-top, var(--ctrl-btn-top, 1ex));
|
|
556
|
-
right: var(--fermi-buttons-right, var(--ctrl-btn-right, 1ex));
|
|
557
|
-
gap: clamp(6pt, 1cqmin, 9pt);
|
|
558
|
-
z-index: var(--fermi-buttons-z-index, 100000000);
|
|
559
|
-
opacity: 0;
|
|
560
|
-
pointer-events: none;
|
|
561
|
-
transition: opacity 0.2s ease;
|
|
562
|
-
align-items: center;
|
|
563
|
-
}
|
|
564
|
-
/* Mode: always - controls always visible */
|
|
565
|
-
section.control-buttons.always-visible {
|
|
566
|
-
opacity: 1;
|
|
567
|
-
pointer-events: auto;
|
|
568
|
-
}
|
|
569
|
-
/* Mode: hover - controls visible on component hover */
|
|
570
|
-
.fermi-surface:hover section.control-buttons.hover-visible,
|
|
571
|
-
.fermi-surface:focus-within section.control-buttons.hover-visible {
|
|
572
|
-
opacity: 1;
|
|
573
|
-
pointer-events: auto;
|
|
574
|
-
}
|
|
575
|
-
/* Mode: never - stays hidden (default state, no additional CSS needed) */
|
|
576
|
-
section.control-buttons > :global(button) {
|
|
577
|
-
background-color: transparent;
|
|
578
|
-
display: flex;
|
|
579
|
-
padding: 4px;
|
|
580
|
-
border-radius: var(--border-radius, 3pt);
|
|
581
|
-
font-size: clamp(0.85em, 2cqmin, 1.3em);
|
|
582
|
-
}
|
|
583
|
-
section.control-buttons :global(button:hover) {
|
|
584
|
-
background-color: color-mix(in srgb, currentColor 8%, transparent);
|
|
585
|
-
}
|
|
586
|
-
.filename {
|
|
587
|
-
font-family: monospace;
|
|
588
|
-
font-size: 0.9em;
|
|
589
|
-
background: var(--code-bg, rgba(0, 0, 0, 0.1));
|
|
590
|
-
padding: 3pt 6pt;
|
|
591
|
-
border-radius: 3pt;
|
|
592
|
-
max-width: 200px;
|
|
593
|
-
overflow: hidden;
|
|
594
|
-
text-overflow: ellipsis;
|
|
595
|
-
white-space: nowrap;
|
|
596
|
-
}
|
|
597
|
-
</style>
|
|
@@ -1,83 +0,0 @@
|
|
|
1
|
-
import type { BrillouinZoneData } from '../brillouin';
|
|
2
|
-
import type { ShowControlsProp } from '../controls';
|
|
3
|
-
import Spinner from '../feedback/Spinner.svelte';
|
|
4
|
-
import type { CameraProjection } from '../settings';
|
|
5
|
-
import type { Crystal } from '../structure';
|
|
6
|
-
import type { ComponentProps, Snippet } from 'svelte';
|
|
7
|
-
import type { HTMLAttributes } from 'svelte/elements';
|
|
8
|
-
import type { BandGridData, ColorProperty, FermiErrorData, FermiFileLoadData, FermiHoverData, FermiSurfaceData, FermiTooltipConfig, RepresentationMode } from './types';
|
|
9
|
-
type FermiHandlerData = {
|
|
10
|
-
fermi_data?: FermiSurfaceData;
|
|
11
|
-
band_data?: BandGridData;
|
|
12
|
-
bz_data?: BrillouinZoneData;
|
|
13
|
-
filename?: string;
|
|
14
|
-
file_size?: number;
|
|
15
|
-
error_msg?: string;
|
|
16
|
-
fullscreen?: boolean;
|
|
17
|
-
};
|
|
18
|
-
type $$ComponentProps = {
|
|
19
|
-
fermi_data?: FermiSurfaceData;
|
|
20
|
-
band_data?: BandGridData;
|
|
21
|
-
structure?: Crystal;
|
|
22
|
-
bz_data?: BrillouinZoneData;
|
|
23
|
-
mu?: number;
|
|
24
|
-
controls_open?: boolean;
|
|
25
|
-
color_property?: ColorProperty;
|
|
26
|
-
color_scale?: string;
|
|
27
|
-
custom_property_label?: string;
|
|
28
|
-
representation?: RepresentationMode;
|
|
29
|
-
surface_opacity?: number;
|
|
30
|
-
selected_bands?: number[];
|
|
31
|
-
show_bz?: boolean;
|
|
32
|
-
bz_opacity?: number;
|
|
33
|
-
show_vectors?: boolean;
|
|
34
|
-
tile_bz?: boolean;
|
|
35
|
-
clip_enabled?: boolean;
|
|
36
|
-
clip_axis?: `x` | `y` | `z`;
|
|
37
|
-
clip_position?: number;
|
|
38
|
-
clip_flip?: boolean;
|
|
39
|
-
interpolation_factor?: number;
|
|
40
|
-
camera_projection?: CameraProjection;
|
|
41
|
-
/**
|
|
42
|
-
* Controls visibility configuration.
|
|
43
|
-
* - 'always': controls always visible
|
|
44
|
-
* - 'hover': controls visible on component hover (default)
|
|
45
|
-
* - 'never': controls never visible
|
|
46
|
-
* - object: { mode, hidden, style } for fine-grained control
|
|
47
|
-
*
|
|
48
|
-
* Control names: 'filename', 'fullscreen', 'controls'
|
|
49
|
-
*/
|
|
50
|
-
show_controls?: ShowControlsProp;
|
|
51
|
-
fullscreen?: boolean;
|
|
52
|
-
width?: number;
|
|
53
|
-
height?: number;
|
|
54
|
-
wrapper?: HTMLDivElement;
|
|
55
|
-
hovered?: boolean;
|
|
56
|
-
dragover?: boolean;
|
|
57
|
-
allow_file_drop?: boolean;
|
|
58
|
-
fullscreen_toggle?: Snippet<[{
|
|
59
|
-
fullscreen: boolean;
|
|
60
|
-
}]> | boolean;
|
|
61
|
-
data_url?: string;
|
|
62
|
-
spinner_props?: ComponentProps<typeof Spinner>;
|
|
63
|
-
loading?: boolean;
|
|
64
|
-
error_msg?: string;
|
|
65
|
-
children?: Snippet<[
|
|
66
|
-
{
|
|
67
|
-
fermi_data?: FermiSurfaceData;
|
|
68
|
-
bz_data?: BrillouinZoneData;
|
|
69
|
-
}
|
|
70
|
-
]>;
|
|
71
|
-
on_file_drop?: (filename: string) => void;
|
|
72
|
-
on_file_load?: (data: FermiFileLoadData) => void;
|
|
73
|
-
on_error?: (data: FermiErrorData) => void;
|
|
74
|
-
on_fullscreen_change?: (data: FermiHandlerData) => void;
|
|
75
|
-
on_mu_change?: (mu: number) => void;
|
|
76
|
-
tooltip_config?: Snippet<[{
|
|
77
|
-
hover_data: FermiHoverData;
|
|
78
|
-
}]> | FermiTooltipConfig;
|
|
79
|
-
on_hover?: (data: FermiHoverData | null) => void;
|
|
80
|
-
} & HTMLAttributes<HTMLDivElement>;
|
|
81
|
-
declare const FermiSurface: import("svelte").Component<$$ComponentProps, {}, "height" | "width" | "dragover" | "fullscreen" | "hovered" | "controls_open" | "loading" | "camera_projection" | "color_scale" | "wrapper" | "error_msg" | "surface_opacity" | "show_vectors" | "bz_data" | "mu" | "selected_bands" | "interpolation_factor" | "fermi_data" | "band_data" | "color_property" | "representation" | "show_bz" | "bz_opacity" | "tile_bz" | "clip_enabled" | "clip_axis" | "clip_position" | "clip_flip">;
|
|
82
|
-
type FermiSurface = ReturnType<typeof FermiSurface>;
|
|
83
|
-
export default FermiSurface;
|