matterviz 0.3.5 → 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/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 +1460 -215
- 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/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 -426
- 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
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- 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 -78
- package/dist/chempot-diagram/chempot-worker.d.ts +0 -1
- package/dist/chempot-diagram/chempot-worker.js +0 -11
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- package/dist/structure/Structure.svelte.d.ts +0 -87
- package/dist/structure/StructureControls.svelte +0 -1298
- package/dist/structure/StructureControls.svelte.d.ts +0 -31
- package/dist/structure/StructureExportPane.svelte +0 -251
- package/dist/structure/StructureExportPane.svelte.d.ts +0 -17
- package/dist/structure/StructureInfoPane.svelte +0 -735
- package/dist/structure/StructureInfoPane.svelte.d.ts +0 -19
- package/dist/structure/StructureScene.svelte +0 -1905
- package/dist/structure/StructureScene.svelte.d.ts +0 -108
- package/dist/structure/atom-properties.d.ts +0 -37
- package/dist/structure/atom-properties.js +0 -200
- package/dist/structure/bond-order-perception.d.ts +0 -13
- package/dist/structure/bond-order-perception.js +0 -367
- package/dist/structure/bonding.d.ts +0 -42
- package/dist/structure/bonding.js +0 -525
- package/dist/structure/export.d.ts +0 -20
- package/dist/structure/export.js +0 -727
- package/dist/structure/index.d.ts +0 -125
- package/dist/structure/index.js +0 -171
- package/dist/structure/label-placement.d.ts +0 -14
- package/dist/structure/label-placement.js +0 -72
- package/dist/structure/measure.d.ts +0 -6
- package/dist/structure/measure.js +0 -29
- package/dist/structure/parse.d.ts +0 -66
- package/dist/structure/parse.js +0 -1363
- 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 -170
- 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 -91
- 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 -313
- 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 -73
- package/dist/trajectory/parse/hdf5.d.ts +0 -2
- package/dist/trajectory/parse/hdf5.js +0 -127
- 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/{app.css → src/lib/app.css} +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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<script lang="ts">
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import { SettingsSection } from '$lib/layout'
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import { PlotControls } from '$lib/plot'
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import type {
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DataSeries,
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PlotConfig,
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PlotControlsProps,
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StyleOverrides,
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let {
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series = [],
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x_axis = $bindable({}),
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x2_axis = $bindable({}),
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y_axis = $bindable({}),
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y2_axis = $bindable({}),
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display = $bindable({}),
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styles = $bindable({}),
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on_touch,
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children,
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...rest
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}: Omit<PlotControlsProps, `children` | `post_children`> & {
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series?: readonly DataSeries[]
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children?: Snippet<
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[{ styles: StyleOverrides; selected_series_idx: number } & Required<PlotConfig>]
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>
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} = $props()
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visible_series.some((srs) => (srs?.markers ?? `line+points`).includes(mode))
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})
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<PlotControls
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bind:x_axis
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bind:display
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show_controls
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{...rest}
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>
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styles,
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>
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<label for="{uid}-point-stroke-opacity">Stroke Opacity:</label>
|
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|
+
<input
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|
+
id="{uid}-point-stroke-opacity"
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|
+
type="range"
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|
+
min="0"
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+
max="1"
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|
+
step="0.05"
|
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|
+
bind:value={styles.point.stroke_opacity}
|
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|
+
/>
|
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|
+
<input
|
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|
+
type="number"
|
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|
+
min="0"
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|
+
max="1"
|
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|
+
step="0.05"
|
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|
+
bind:value={styles.point.stroke_opacity}
|
|
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|
+
/>
|
|
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|
+
</div>
|
|
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|
+
{/if}
|
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|
+
</SettingsSection>
|
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|
+
{/if}
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|
+
|
|
239
|
+
<!-- Line Style Controls: only when lines exist and are visible -->
|
|
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|
+
{#if has_any_lines && styles.show_lines}
|
|
241
|
+
<SettingsSection
|
|
242
|
+
title="Line Style"
|
|
243
|
+
current_values={styles.line ?? {}}
|
|
244
|
+
on_reset={() => {
|
|
245
|
+
styles.line = { ...DEFAULTS.scatter.line }
|
|
246
|
+
Object.keys(DEFAULTS.scatter.line).forEach((key) => on_touch?.(`line.${key}`))
|
|
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|
+
}}
|
|
248
|
+
oninput={touch}
|
|
249
|
+
>
|
|
250
|
+
{#if styles.line}
|
|
251
|
+
<div class="pane-row" data-key="line.width">
|
|
252
|
+
<label for="{uid}-line-width">Width:</label>
|
|
253
|
+
<input
|
|
254
|
+
id="{uid}-line-width"
|
|
255
|
+
type="range"
|
|
256
|
+
min="0.5"
|
|
257
|
+
max="10"
|
|
258
|
+
step="0.5"
|
|
259
|
+
bind:value={styles.line.width}
|
|
260
|
+
/>
|
|
261
|
+
<input
|
|
262
|
+
type="number"
|
|
263
|
+
min="0.5"
|
|
264
|
+
max="10"
|
|
265
|
+
step="0.5"
|
|
266
|
+
bind:value={styles.line.width}
|
|
267
|
+
/>
|
|
268
|
+
</div>
|
|
269
|
+
{#if !has_color_data}
|
|
270
|
+
<div class="pane-row" data-key="line.color">
|
|
271
|
+
<label for="{uid}-line-color">Color:</label>
|
|
272
|
+
<input id="{uid}-line-color" type="color" bind:value={styles.line.color} />
|
|
273
|
+
</div>
|
|
274
|
+
{/if}
|
|
275
|
+
<div class="pane-row" data-key="line.opacity">
|
|
276
|
+
<label for="{uid}-line-opacity">Opacity:</label>
|
|
277
|
+
<input
|
|
278
|
+
id="{uid}-line-opacity"
|
|
279
|
+
type="range"
|
|
280
|
+
min="0"
|
|
281
|
+
max="1"
|
|
282
|
+
step="0.05"
|
|
283
|
+
bind:value={styles.line.opacity}
|
|
284
|
+
/>
|
|
285
|
+
<input
|
|
286
|
+
type="number"
|
|
287
|
+
min="0"
|
|
288
|
+
max="1"
|
|
289
|
+
step="0.05"
|
|
290
|
+
bind:value={styles.line.opacity}
|
|
291
|
+
/>
|
|
292
|
+
</div>
|
|
293
|
+
<div class="pane-row" data-key="line.dash">
|
|
294
|
+
<label for="{uid}-line-style">Style:</label>
|
|
295
|
+
<select id="{uid}-line-style" bind:value={styles.line.dash}>
|
|
296
|
+
<option value="solid">Solid</option>
|
|
297
|
+
<option value="4,4">Dashed</option>
|
|
298
|
+
<option value="2,2">Dotted</option>
|
|
299
|
+
<option value="8,4,2,4">Dash-dot</option>
|
|
300
|
+
</select>
|
|
301
|
+
</div>
|
|
302
|
+
{/if}
|
|
303
|
+
</SettingsSection>
|
|
304
|
+
{/if}
|
|
305
|
+
{/snippet}
|
|
306
|
+
</PlotControls>
|
|
@@ -0,0 +1,182 @@
|
|
|
1
|
+
<script lang="ts">
|
|
2
|
+
import { type D3SymbolName, symbol_map } from '$lib/labels'
|
|
3
|
+
import type { HoverStyle, LabelStyle, Point } from '$lib/plot'
|
|
4
|
+
import type { Point2D } from '$lib/math'
|
|
5
|
+
import type { PointStyle } from '$lib/plot/types'
|
|
6
|
+
import { estimate_label_size, label_leader_segment } from '$lib/plot/utils/label-placement'
|
|
7
|
+
import { DEFAULTS } from '$lib/settings'
|
|
8
|
+
import * as d3_symbols from 'd3-shape'
|
|
9
|
+
import { symbol } from 'd3-shape'
|
|
10
|
+
import { cubicOut } from 'svelte/easing'
|
|
11
|
+
import type { SVGAttributes } from 'svelte/elements'
|
|
12
|
+
import { Tween, type TweenOptions } from 'svelte/motion'
|
|
13
|
+
|
|
14
|
+
let {
|
|
15
|
+
x,
|
|
16
|
+
y,
|
|
17
|
+
style = {},
|
|
18
|
+
hover = {},
|
|
19
|
+
label = {},
|
|
20
|
+
offset = { x: 0, y: 0 },
|
|
21
|
+
point_tween = $bindable({}),
|
|
22
|
+
origin = $bindable({ x: 0, y: 0 }),
|
|
23
|
+
is_hovered = false,
|
|
24
|
+
is_selected = false,
|
|
25
|
+
is_dimmed = false,
|
|
26
|
+
leader_line_threshold = 15,
|
|
27
|
+
...rest
|
|
28
|
+
}: Omit<SVGAttributes<SVGGElement>, `style` | `offset` | `origin` | `transform`> & {
|
|
29
|
+
x: number
|
|
30
|
+
y: number
|
|
31
|
+
style?: PointStyle
|
|
32
|
+
hover?: HoverStyle
|
|
33
|
+
label?: LabelStyle
|
|
34
|
+
offset?: Point[`offset`]
|
|
35
|
+
point_tween?: TweenOptions<Point2D>
|
|
36
|
+
origin?: Point2D
|
|
37
|
+
is_hovered?: boolean
|
|
38
|
+
is_selected?: boolean
|
|
39
|
+
is_dimmed?: boolean
|
|
40
|
+
leader_line_threshold?: number
|
|
41
|
+
} = $props()
|
|
42
|
+
|
|
43
|
+
// get the SVG path data as 'd' attribute
|
|
44
|
+
function get_symbol_path(): string {
|
|
45
|
+
const symbol_key: D3SymbolName = style.symbol_type ?? DEFAULTS.scatter.symbol_type
|
|
46
|
+
const symbol_type = symbol_map[symbol_key] ?? d3_symbols.symbolCircle
|
|
47
|
+
const size = style.symbol_size ?? Math.PI * Math.pow(style.radius ?? 2, 2)
|
|
48
|
+
return symbol().type(symbol_type).size(size)() || ``
|
|
49
|
+
}
|
|
50
|
+
|
|
51
|
+
let marker_path = $derived.by(get_symbol_path)
|
|
52
|
+
|
|
53
|
+
const default_tween_props: TweenOptions<Point2D> = {
|
|
54
|
+
duration: 600,
|
|
55
|
+
easing: cubicOut,
|
|
56
|
+
}
|
|
57
|
+
// Single tween for {x, y} coordinates
|
|
58
|
+
const tweened_coords = new Tween(origin, { ...default_tween_props, ...point_tween })
|
|
59
|
+
|
|
60
|
+
$effect.pre(() => {
|
|
61
|
+
tweened_coords.target = { x: x + offset.x, y: y + offset.y }
|
|
62
|
+
})
|
|
63
|
+
</script>
|
|
64
|
+
|
|
65
|
+
<g
|
|
66
|
+
transform="translate({tweened_coords.current.x} {tweened_coords.current.y})"
|
|
67
|
+
style:--hover-scale={hover.scale ?? 1.5}
|
|
68
|
+
style:--hover-stroke={hover.stroke ?? `white`}
|
|
69
|
+
style:--hover-stroke-width="{hover.stroke_width ?? 0}px"
|
|
70
|
+
style:--hover-brightness={hover.brightness ?? 1.2}
|
|
71
|
+
{...rest}
|
|
72
|
+
>
|
|
73
|
+
{#if is_selected}
|
|
74
|
+
<circle
|
|
75
|
+
r={(style.radius ?? 4) * 2.5}
|
|
76
|
+
class="effect-ring selected"
|
|
77
|
+
fill="var(--point-fill-color, {style.fill ?? `cornflowerblue`})"
|
|
78
|
+
stroke="var(--effect-ring-stroke, white)"
|
|
79
|
+
stroke-width="var(--effect-ring-stroke-width, 1)"
|
|
80
|
+
/>
|
|
81
|
+
{:else if style.is_highlighted && style.highlight_effect?.match(/pulse|glow/)}
|
|
82
|
+
<circle
|
|
83
|
+
r={(style.radius ?? 4) * 2}
|
|
84
|
+
class="effect-ring {style.highlight_effect}"
|
|
85
|
+
fill={style.highlight_color ?? `#ff4444`}
|
|
86
|
+
stroke="var(--effect-ring-stroke, white)"
|
|
87
|
+
stroke-width="var(--effect-ring-stroke-width, 1)"
|
|
88
|
+
/>
|
|
89
|
+
{/if}
|
|
90
|
+
<path
|
|
91
|
+
d={marker_path}
|
|
92
|
+
stroke={style.stroke ?? `transparent`}
|
|
93
|
+
stroke-width={style.stroke_width ?? 1}
|
|
94
|
+
fill-opacity={style.fill_opacity ?? 1}
|
|
95
|
+
stroke-opacity={style.stroke_opacity ?? 1}
|
|
96
|
+
fill="var(--point-fill-color, {style.fill ?? `black`})"
|
|
97
|
+
class="marker"
|
|
98
|
+
class:is-hovered={is_hovered && (hover.enabled ?? true)}
|
|
99
|
+
class:is-dimmed={is_dimmed}
|
|
100
|
+
style:cursor={style.cursor}
|
|
101
|
+
/>
|
|
102
|
+
{#if label.text}
|
|
103
|
+
{@const offset_x = label.offset?.x ?? 10}
|
|
104
|
+
{@const offset_y = label.offset?.y ?? 0}
|
|
105
|
+
{@const displacement = Math.hypot(offset_x, offset_y)}
|
|
106
|
+
{@const leader_line = displacement > leader_line_threshold ? label_leader_segment({
|
|
107
|
+
point: { x: 0, y: 0 },
|
|
108
|
+
point_radius: style.radius ?? 3,
|
|
109
|
+
label_center: { x: offset_x, y: offset_y },
|
|
110
|
+
label_size: label.size ?? estimate_label_size(label.text, label.font_size),
|
|
111
|
+
min_length: 6,
|
|
112
|
+
}) : null}
|
|
113
|
+
{#if leader_line}
|
|
114
|
+
<line
|
|
115
|
+
x1={leader_line.x1}
|
|
116
|
+
y1={leader_line.y1}
|
|
117
|
+
x2={leader_line.x2}
|
|
118
|
+
y2={leader_line.y2}
|
|
119
|
+
class="leader-line"
|
|
120
|
+
stroke="var(--scatter-leader-line-color, #888)"
|
|
121
|
+
stroke-width="var(--scatter-leader-line-width, 0.8)"
|
|
122
|
+
stroke-dasharray="var(--scatter-leader-line-dash, 2 2)"
|
|
123
|
+
stroke-opacity="var(--scatter-leader-line-opacity, 0.6)"
|
|
124
|
+
/>
|
|
125
|
+
{/if}
|
|
126
|
+
<text
|
|
127
|
+
x={offset_x}
|
|
128
|
+
y={offset_y}
|
|
129
|
+
text-anchor={label.auto_placement ? `middle` : undefined}
|
|
130
|
+
style:font-size={label.font_size ?? `10px`}
|
|
131
|
+
style:font-family={label.font_family ?? `sans-serif`}
|
|
132
|
+
fill="var(--scatter-point-label-fill, currentColor)"
|
|
133
|
+
dominant-baseline="middle"
|
|
134
|
+
class="label-text"
|
|
135
|
+
>
|
|
136
|
+
{label.text}
|
|
137
|
+
</text>
|
|
138
|
+
{/if}
|
|
139
|
+
</g>
|
|
140
|
+
|
|
141
|
+
<style>
|
|
142
|
+
.marker {
|
|
143
|
+
transition: var(--scatter-point-transition, all 0.2s);
|
|
144
|
+
}
|
|
145
|
+
.marker.is-hovered {
|
|
146
|
+
transform: scale(var(--hover-scale));
|
|
147
|
+
stroke: var(--hover-stroke);
|
|
148
|
+
stroke-width: var(--hover-stroke-width);
|
|
149
|
+
filter: brightness(var(--hover-brightness));
|
|
150
|
+
}
|
|
151
|
+
.marker.is-dimmed {
|
|
152
|
+
opacity: var(--scatter-point-dimmed-opacity, 0.25);
|
|
153
|
+
}
|
|
154
|
+
.effect-ring {
|
|
155
|
+
pointer-events: none;
|
|
156
|
+
animation: ring-pulse var(--effect-ring-duration, 1s) ease-in-out
|
|
157
|
+
var(--effect-ring-iterations, infinite);
|
|
158
|
+
}
|
|
159
|
+
.effect-ring.pulse {
|
|
160
|
+
--effect-ring-duration: 1.2s;
|
|
161
|
+
}
|
|
162
|
+
.effect-ring.glow {
|
|
163
|
+
--effect-ring-duration: 1.5s;
|
|
164
|
+
filter: blur(3px);
|
|
165
|
+
}
|
|
166
|
+
@keyframes ring-pulse {
|
|
167
|
+
0%, 100% {
|
|
168
|
+
opacity: 0.3;
|
|
169
|
+
transform: scale(1);
|
|
170
|
+
}
|
|
171
|
+
50% {
|
|
172
|
+
opacity: 0.7;
|
|
173
|
+
transform: scale(1.2);
|
|
174
|
+
}
|
|
175
|
+
}
|
|
176
|
+
.label-text {
|
|
177
|
+
pointer-events: var(--scatter-point-label-pointer-events, none);
|
|
178
|
+
}
|
|
179
|
+
.leader-line {
|
|
180
|
+
pointer-events: none;
|
|
181
|
+
}
|
|
182
|
+
</style>
|