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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<script
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lang="ts"
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generics="Metadata extends Record<string, unknown> = Record<string, unknown>"
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>
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import type { D3ColorSchemeName, D3InterpolateName } from '$lib/colors'
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DataSeries3D,
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Surface3DConfig,
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surface.parametric_fn(u0 + (i / n) * (u1 - u0), v0 + (j / n) * (v1 - v0)),
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}
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+
} else if (surface.type === `triangulated` && surface.points) {
|
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|
+
pts.push(...surface.points)
|
|
208
|
+
}
|
|
209
|
+
return pts.filter((pt) => isFinite(pt.x) && isFinite(pt.y) && isFinite(pt.z))
|
|
210
|
+
}
|
|
211
|
+
|
|
212
|
+
// Compute axis range with D3's nice() for clean boundaries
|
|
213
|
+
function compute_range(
|
|
214
|
+
values: number[],
|
|
215
|
+
range?: [number | null, number | null],
|
|
216
|
+
): Vec2 {
|
|
217
|
+
if (range?.[0] != null && range?.[1] != null) return range as Vec2
|
|
218
|
+
const valid = values.filter(isFinite)
|
|
219
|
+
if (!valid.length) return [0, 1]
|
|
220
|
+
let [min, max] = [Math.min(...valid), Math.max(...valid)]
|
|
221
|
+
const pad = min === max
|
|
222
|
+
? (min === 0 ? 1 : Math.abs(min * 0.1))
|
|
223
|
+
: (max - min) * 0.05
|
|
224
|
+
if (range?.[0] == null) min -= pad
|
|
225
|
+
if (range?.[1] == null) max += pad
|
|
226
|
+
return scaleLinear().domain([range?.[0] ?? min, range?.[1] ?? max]).nice()
|
|
227
|
+
.domain() as Vec2
|
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228
|
+
}
|
|
229
|
+
|
|
230
|
+
// Collect xyz values from points and surfaces
|
|
231
|
+
let surface_samples = $derived(surfaces.flatMap(sample_surface))
|
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232
|
+
let x_range = $derived(
|
|
233
|
+
compute_range([
|
|
234
|
+
...all_points.map((point) => point.x),
|
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235
|
+
...surface_samples.map((point) => point.x),
|
|
236
|
+
], x_axis.range),
|
|
237
|
+
)
|
|
238
|
+
let y_range = $derived(
|
|
239
|
+
compute_range([
|
|
240
|
+
...all_points.map((point) => point.y),
|
|
241
|
+
...surface_samples.map((point) => point.y),
|
|
242
|
+
], y_axis.range),
|
|
243
|
+
)
|
|
244
|
+
let z_range = $derived(
|
|
245
|
+
compute_range([
|
|
246
|
+
...all_points.map((point) => point.z),
|
|
247
|
+
...surface_samples.map((point) => point.z),
|
|
248
|
+
], z_axis.range),
|
|
249
|
+
)
|
|
250
|
+
|
|
251
|
+
const normalize_x = (value: number) => normalize_to_scene(value, x_range, scene_x)
|
|
252
|
+
const normalize_y = (value: number) => normalize_to_scene(value, y_range, scene_y)
|
|
253
|
+
const normalize_z = (value: number) => normalize_to_scene(value, z_range, scene_z)
|
|
254
|
+
|
|
255
|
+
// Color/size scales
|
|
256
|
+
let all_color_values = $derived(
|
|
257
|
+
all_points.map((pt) => pt.color_value).filter((val): val is number => val != null),
|
|
258
|
+
)
|
|
259
|
+
let auto_color_range: [number, number] = $derived.by(() => {
|
|
260
|
+
if (!all_color_values.length) return [0, 1]
|
|
261
|
+
let min = all_color_values[0]
|
|
262
|
+
let max = all_color_values[0]
|
|
263
|
+
for (const val of all_color_values) {
|
|
264
|
+
if (val < min) min = val
|
|
265
|
+
else if (val > max) max = val
|
|
266
|
+
}
|
|
267
|
+
return [min, max]
|
|
268
|
+
})
|
|
269
|
+
let all_size_values = $derived(
|
|
270
|
+
all_points.map((pt) => pt.size_value).filter((val): val is number => val != null),
|
|
271
|
+
)
|
|
272
|
+
let color_scale_fn = $derived(create_color_scale(color_scale, auto_color_range))
|
|
273
|
+
let size_scale_fn = $derived(create_size_scale(size_scale, all_size_values))
|
|
274
|
+
|
|
275
|
+
// Process points with normalized positions
|
|
276
|
+
// Swap Y/Z for Three.js: user Z → Three.js Y (vertical), user Y → Three.js Z (depth)
|
|
277
|
+
let processed_points = $derived(
|
|
278
|
+
all_points.map((pt): InternalPoint3D<Metadata> => ({
|
|
279
|
+
...pt,
|
|
280
|
+
x: normalize_x(pt.x), // user X → Three.js X
|
|
281
|
+
y: normalize_z(pt.z), // user Z → Three.js Y (vertical)
|
|
282
|
+
z: normalize_y(pt.y), // user Y → Three.js Z (depth)
|
|
283
|
+
})),
|
|
284
|
+
)
|
|
285
|
+
|
|
286
|
+
// Group points by radius, with per-instance colors
|
|
287
|
+
type RadiusGroup = {
|
|
288
|
+
radius: number
|
|
289
|
+
points: InternalPoint3D<Metadata>[]
|
|
290
|
+
colors: string[]
|
|
291
|
+
}
|
|
292
|
+
|
|
293
|
+
let radius_groups = $derived.by((): RadiusGroup[] => {
|
|
294
|
+
const groups: Record<string, RadiusGroup> = {}
|
|
295
|
+
for (const pt of processed_points) {
|
|
296
|
+
const srs = series[pt.series_idx]
|
|
297
|
+
if (!(series_visibility[pt.series_idx] ?? srs?.visible ?? true)) continue
|
|
298
|
+
const color = pt.color_value != null
|
|
299
|
+
? color_scale_fn(pt.color_value)
|
|
300
|
+
: pt.point_style?.fill ?? get_series_color(pt.series_idx)
|
|
301
|
+
const radius = pt.size_value != null
|
|
302
|
+
? size_scale_fn(pt.size_value)
|
|
303
|
+
: (pt.point_style?.radius ?? styles.point?.size ?? 2) * 0.05
|
|
304
|
+
const key = radius.toFixed(4)
|
|
305
|
+
;(groups[key] ??= { radius, points: [], colors: [] }).points.push(pt)
|
|
306
|
+
groups[key].colors.push(color)
|
|
307
|
+
}
|
|
308
|
+
return Object.values(groups)
|
|
309
|
+
})
|
|
310
|
+
|
|
311
|
+
// Projection settings - render point shadows on background planes
|
|
312
|
+
let proj_opacity = $derived(display.projection_opacity ?? 0.3)
|
|
313
|
+
let proj_scale = $derived(display.projection_scale ?? 0.5)
|
|
314
|
+
|
|
315
|
+
// Projection plane configs: each fixes one axis to the backside position
|
|
316
|
+
type ProjectionConfig = {
|
|
317
|
+
key: `xy` | `xz` | `yz`
|
|
318
|
+
get_pos: (pt: InternalPoint3D<Metadata>) => Vec3
|
|
319
|
+
}
|
|
320
|
+
let projection_configs = $derived(
|
|
321
|
+
([`xy`, `xz`, `yz`] as const)
|
|
322
|
+
.filter((key) => display.projections?.[key])
|
|
323
|
+
.map((key): ProjectionConfig => ({
|
|
324
|
+
key,
|
|
325
|
+
get_pos: key === `xy`
|
|
326
|
+
? (pt) => [pt.x, pos.y, pt.z]
|
|
327
|
+
: key === `xz`
|
|
328
|
+
? (pt) => [pt.x, pt.y, pos.z]
|
|
329
|
+
: (pt) => [pos.x, pt.y, pt.z],
|
|
330
|
+
})),
|
|
331
|
+
)
|
|
332
|
+
|
|
333
|
+
// Series line data for connecting points
|
|
334
|
+
type SeriesLineData = {
|
|
335
|
+
series_idx: number
|
|
336
|
+
color: string
|
|
337
|
+
width: number
|
|
338
|
+
dashed: boolean
|
|
339
|
+
line2: Line2
|
|
340
|
+
geometry: LineGeometry
|
|
341
|
+
material: LineMaterial
|
|
342
|
+
}
|
|
343
|
+
|
|
344
|
+
// Track previous lines for cleanup
|
|
345
|
+
let series_lines: SeriesLineData[] = $state([])
|
|
346
|
+
|
|
347
|
+
$effect(() => {
|
|
348
|
+
// Dispose old lines before creating new ones
|
|
349
|
+
for (const line_data of untrack(() => series_lines)) {
|
|
350
|
+
line_data.geometry.dispose()
|
|
351
|
+
line_data.material.dispose()
|
|
352
|
+
}
|
|
353
|
+
|
|
354
|
+
const lines: SeriesLineData[] = []
|
|
355
|
+
for (let series_idx = 0; series_idx < series.length; series_idx++) {
|
|
356
|
+
const srs = series[series_idx]
|
|
357
|
+
if (!srs?.line_style) continue
|
|
358
|
+
if (!(series_visibility[series_idx] ?? srs.visible ?? true)) continue
|
|
359
|
+
|
|
360
|
+
// Get points for this series in order
|
|
361
|
+
const series_points = processed_points
|
|
362
|
+
.filter((pt) => pt.series_idx === series_idx)
|
|
363
|
+
.sort((a, b) => a.point_idx - b.point_idx)
|
|
364
|
+
|
|
365
|
+
if (series_points.length < 2) continue
|
|
366
|
+
|
|
367
|
+
// Create fat line geometry (LineGeometry for Line2)
|
|
368
|
+
const positions: number[] = []
|
|
369
|
+
for (const pt of series_points) {
|
|
370
|
+
positions.push(pt.x, pt.y, pt.z)
|
|
371
|
+
}
|
|
372
|
+
const geometry = new LineGeometry()
|
|
373
|
+
geometry.setPositions(positions)
|
|
374
|
+
|
|
375
|
+
// Determine line style
|
|
376
|
+
const line_style = srs.line_style
|
|
377
|
+
const color = line_style.stroke ??
|
|
378
|
+
(Array.isArray(srs.point_style)
|
|
379
|
+
? srs.point_style[0]?.fill
|
|
380
|
+
: srs.point_style?.fill) ??
|
|
381
|
+
get_series_color(series_idx)
|
|
382
|
+
const line_width = line_style.stroke_width ?? 2
|
|
383
|
+
const dashed = Boolean(line_style.line_dash)
|
|
384
|
+
|
|
385
|
+
// Create LineMaterial for fat lines (linewidth is in pixels when resolution is set)
|
|
386
|
+
// Use placeholder resolution; the separate resolution effect updates it
|
|
387
|
+
const material = new LineMaterial({
|
|
388
|
+
color: new THREE.Color(color).getHex(),
|
|
389
|
+
linewidth: line_width, // Width in pixels
|
|
390
|
+
dashed,
|
|
391
|
+
dashScale: dashed ? 2 : 1,
|
|
392
|
+
dashSize: 0.1,
|
|
393
|
+
gapSize: 0.05,
|
|
394
|
+
resolution: new THREE.Vector2(1, 1),
|
|
395
|
+
})
|
|
396
|
+
|
|
397
|
+
const line2 = new Line2(geometry, material)
|
|
398
|
+
line2.computeLineDistances()
|
|
399
|
+
|
|
400
|
+
lines.push({
|
|
401
|
+
series_idx,
|
|
402
|
+
color,
|
|
403
|
+
width: line_width,
|
|
404
|
+
dashed,
|
|
405
|
+
line2,
|
|
406
|
+
geometry,
|
|
407
|
+
material,
|
|
408
|
+
})
|
|
409
|
+
}
|
|
410
|
+
series_lines = lines
|
|
411
|
+
})
|
|
412
|
+
|
|
413
|
+
// Update LineMaterial resolution when canvas size changes
|
|
414
|
+
$effect(() => {
|
|
415
|
+
const canvas_width = width || 1
|
|
416
|
+
const canvas_height = height || 1
|
|
417
|
+
for (const line_data of series_lines) {
|
|
418
|
+
line_data.material.resolution.set(canvas_width, canvas_height)
|
|
419
|
+
}
|
|
420
|
+
})
|
|
421
|
+
|
|
422
|
+
// Cleanup on component destroy
|
|
423
|
+
onDestroy(() => {
|
|
424
|
+
for (const { geometry, material } of series_lines) {
|
|
425
|
+
geometry.dispose()
|
|
426
|
+
material.dispose()
|
|
427
|
+
}
|
|
428
|
+
Object.values(axis_geometries).forEach((geom) => geom.dispose())
|
|
429
|
+
for (const data of Object.values(axis_geom_data)) {
|
|
430
|
+
data.tick_geoms.forEach((geom) => geom.dispose())
|
|
431
|
+
data.grid_geoms.flat().forEach((geom) => geom.dispose())
|
|
432
|
+
}
|
|
433
|
+
})
|
|
434
|
+
|
|
435
|
+
// Generate axis ticks using D3's smart tick generation
|
|
436
|
+
function gen_ticks(
|
|
437
|
+
range: [number, number],
|
|
438
|
+
ticks?: AxisConfig3D[`ticks`],
|
|
439
|
+
): number[] {
|
|
440
|
+
if (Array.isArray(ticks)) return ticks
|
|
441
|
+
const [min, max] = range
|
|
442
|
+
if (!isFinite(min) || !isFinite(max) || min === max) return [min]
|
|
443
|
+
const count = typeof ticks === `number` ? ticks : 5
|
|
444
|
+
return scaleLinear().domain([min, max]).ticks(count)
|
|
445
|
+
}
|
|
446
|
+
|
|
447
|
+
let x_ticks = $derived(gen_ticks(x_range, x_axis.ticks))
|
|
448
|
+
let y_ticks = $derived(gen_ticks(y_range, y_axis.ticks))
|
|
449
|
+
let z_ticks = $derived(gen_ticks(z_range, z_axis.ticks))
|
|
450
|
+
|
|
451
|
+
// Create axis line geometry - reuses a shared Float32Array for efficiency
|
|
452
|
+
function create_line_geometry(start: Vec3, end: Vec3): THREE.BufferGeometry {
|
|
453
|
+
const geometry = new THREE.BufferGeometry()
|
|
454
|
+
const positions = new Float32Array([...start, ...end])
|
|
455
|
+
geometry.setAttribute(`position`, new THREE.BufferAttribute(positions, 3))
|
|
456
|
+
return geometry
|
|
457
|
+
}
|
|
458
|
+
|
|
459
|
+
// Build event data for point interactions
|
|
460
|
+
function make_event_data(
|
|
461
|
+
point: InternalPoint3D<Metadata>,
|
|
462
|
+
event?: MouseEvent,
|
|
463
|
+
): Scatter3DHandlerEvent<Metadata> | null {
|
|
464
|
+
const orig = all_points.find(
|
|
465
|
+
(pt) => pt.series_idx === point.series_idx && pt.point_idx === point.point_idx,
|
|
466
|
+
)
|
|
467
|
+
if (!orig) return null
|
|
468
|
+
return {
|
|
469
|
+
x: orig.x,
|
|
470
|
+
y: orig.y,
|
|
471
|
+
z: orig.z,
|
|
472
|
+
metadata: point.metadata ?? null,
|
|
473
|
+
label: series[point.series_idx]?.label ?? null,
|
|
474
|
+
series_idx: point.series_idx,
|
|
475
|
+
x_axis,
|
|
476
|
+
y_axis,
|
|
477
|
+
z_axis,
|
|
478
|
+
x_formatted: format_num(orig.x, x_axis.format || `.3~g`),
|
|
479
|
+
y_formatted: format_num(orig.y, y_axis.format || `.3~g`),
|
|
480
|
+
z_formatted: format_num(orig.z, z_axis.format || `.3~g`),
|
|
481
|
+
color_value: point.color_value,
|
|
482
|
+
fullscreen: false,
|
|
483
|
+
event,
|
|
484
|
+
point,
|
|
485
|
+
}
|
|
486
|
+
}
|
|
487
|
+
|
|
488
|
+
function handle_point_enter(point: InternalPoint3D<Metadata>) {
|
|
489
|
+
hovered_point = point
|
|
490
|
+
const data = make_event_data(point)
|
|
491
|
+
if (data) on_point_hover?.(data)
|
|
492
|
+
}
|
|
493
|
+
|
|
494
|
+
function handle_point_click(point: InternalPoint3D<Metadata>, event: MouseEvent) {
|
|
495
|
+
const data = make_event_data(point, event)
|
|
496
|
+
if (data) on_point_click?.(data)
|
|
497
|
+
}
|
|
498
|
+
|
|
499
|
+
// Gizmo props - parent (ScatterPlot3D) handles className and ColorBar offset adjustments
|
|
500
|
+
let gizmo_props = $derived(
|
|
501
|
+
gizmo === false
|
|
502
|
+
? null
|
|
503
|
+
: gizmo === true
|
|
504
|
+
? { background: { enabled: false }, offset: { left: 5, bottom: 5 } }
|
|
505
|
+
: gizmo,
|
|
506
|
+
)
|
|
507
|
+
|
|
508
|
+
// Orbit controls - snappy with minimal inertia
|
|
509
|
+
let orbit_controls_props = $derived({
|
|
510
|
+
enableRotate: rotate_speed > 0,
|
|
511
|
+
rotateSpeed: rotate_speed,
|
|
512
|
+
enableZoom: zoom_speed > 0,
|
|
513
|
+
zoomSpeed: zoom_speed,
|
|
514
|
+
enablePan: pan_speed > 0,
|
|
515
|
+
panSpeed: pan_speed,
|
|
516
|
+
target: [0, 0, 0] as Vec3,
|
|
517
|
+
maxZoom: max_zoom,
|
|
518
|
+
minZoom: min_zoom,
|
|
519
|
+
autoRotate: Boolean(auto_rotate),
|
|
520
|
+
autoRotateSpeed: auto_rotate,
|
|
521
|
+
enableDamping: rotation_damping > 0,
|
|
522
|
+
dampingFactor: rotation_damping,
|
|
523
|
+
})
|
|
524
|
+
|
|
525
|
+
// Axis configuration for rendering
|
|
526
|
+
const tick_length = 0.15
|
|
527
|
+
type AxisKey = `x` | `y` | `z`
|
|
528
|
+
const AXIS_KEYS: readonly AxisKey[] = [`x`, `y`, `z`]
|
|
529
|
+
|
|
530
|
+
// Main axis line geometries - updated when backside positions change
|
|
531
|
+
let axis_geometries: Record<AxisKey, THREE.BufferGeometry> = $state({
|
|
532
|
+
x: create_line_geometry([-half_x, -half_z, -half_y], [half_x, -half_z, -half_y]),
|
|
533
|
+
y: create_line_geometry([-half_x, -half_z, -half_y], [-half_x, -half_z, half_y]),
|
|
534
|
+
z: create_line_geometry([-half_x, -half_z, -half_y], [-half_x, half_z, -half_y]),
|
|
535
|
+
})
|
|
536
|
+
|
|
537
|
+
$effect(() => {
|
|
538
|
+
// Capture pos values for dependency tracking
|
|
539
|
+
const { x: px, y: py, z: pz } = pos
|
|
540
|
+
untrack(() => {
|
|
541
|
+
for (const key of AXIS_KEYS) axis_geometries[key].dispose()
|
|
542
|
+
})
|
|
543
|
+
// X-axis: spans full X, positioned at backside Y and Z
|
|
544
|
+
axis_geometries.x = create_line_geometry([-half_x, py, pz], [half_x, py, pz])
|
|
545
|
+
// Y-axis (user Y → Three.js Z): spans full Z, positioned at backside X and Y
|
|
546
|
+
axis_geometries.y = create_line_geometry([px, py, -half_y], [px, py, half_y])
|
|
547
|
+
// Z-axis (user Z → Three.js Y): spans full Y, positioned at backside X and Z
|
|
548
|
+
axis_geometries.z = create_line_geometry([px, -half_z, pz], [px, half_z, pz])
|
|
549
|
+
})
|
|
550
|
+
|
|
551
|
+
// Axis rendering config - all positions use backside `pos` values
|
|
552
|
+
let axes_config = $derived([
|
|
553
|
+
{
|
|
554
|
+
key: `x` as AxisKey,
|
|
555
|
+
color: `#ef4444`,
|
|
556
|
+
axis: x_axis,
|
|
557
|
+
ticks: x_ticks,
|
|
558
|
+
range: x_range,
|
|
559
|
+
get_tick_pos: (val: number): Vec3 => [normalize_x(val), pos.y, pos.z],
|
|
560
|
+
get_tick_end: (
|
|
561
|
+
val: number,
|
|
562
|
+
): Vec3 => [normalize_x(val), pos.y + sign_y * tick_length, pos.z],
|
|
563
|
+
get_grid_lines: (val: number): [Vec3, Vec3][] => {
|
|
564
|
+
const px = normalize_x(val)
|
|
565
|
+
return [
|
|
566
|
+
[[px, -half_z, pos.z], [px, half_z, pos.z]],
|
|
567
|
+
[[px, pos.y, -half_y], [px, pos.y, half_y]],
|
|
568
|
+
]
|
|
569
|
+
},
|
|
570
|
+
tick_label_pos: (
|
|
571
|
+
val: number,
|
|
572
|
+
): Vec3 => [normalize_x(val), pos.y + sign_y * 0.4, pos.z],
|
|
573
|
+
axis_label_pos: [0, pos.y + sign_y * 0.9, pos.z] as Vec3,
|
|
574
|
+
},
|
|
575
|
+
{
|
|
576
|
+
key: `y` as AxisKey,
|
|
577
|
+
color: `#22c55e`,
|
|
578
|
+
axis: y_axis,
|
|
579
|
+
ticks: y_ticks,
|
|
580
|
+
range: y_range,
|
|
581
|
+
get_tick_pos: (val: number): Vec3 => [pos.x, pos.y, normalize_y(val)],
|
|
582
|
+
get_tick_end: (
|
|
583
|
+
val: number,
|
|
584
|
+
): Vec3 => [pos.x, pos.y + sign_y * tick_length, normalize_y(val)],
|
|
585
|
+
get_grid_lines: (val: number): [Vec3, Vec3][] => {
|
|
586
|
+
const py = normalize_y(val)
|
|
587
|
+
return [
|
|
588
|
+
[[-half_x, pos.y, py], [half_x, pos.y, py]],
|
|
589
|
+
[[pos.x, -half_z, py], [pos.x, half_z, py]],
|
|
590
|
+
]
|
|
591
|
+
},
|
|
592
|
+
tick_label_pos: (
|
|
593
|
+
val: number,
|
|
594
|
+
): Vec3 => [pos.x + sign_x * 0.5, pos.y + sign_y * 0.4, normalize_y(val)],
|
|
595
|
+
axis_label_pos: [
|
|
596
|
+
pos.x,
|
|
597
|
+
pos.y + sign_y * 0.9,
|
|
598
|
+
pos.z < 0 ? half_y + 0.5 : -half_y - 0.5,
|
|
599
|
+
] as Vec3,
|
|
600
|
+
},
|
|
601
|
+
{
|
|
602
|
+
key: `z` as AxisKey,
|
|
603
|
+
color: `#3b82f6`,
|
|
604
|
+
axis: z_axis,
|
|
605
|
+
ticks: z_ticks,
|
|
606
|
+
range: z_range,
|
|
607
|
+
get_tick_pos: (val: number): Vec3 => [pos.x, normalize_z(val), pos.z],
|
|
608
|
+
get_tick_end: (
|
|
609
|
+
val: number,
|
|
610
|
+
): Vec3 => [pos.x + sign_x * tick_length, normalize_z(val), pos.z],
|
|
611
|
+
get_grid_lines: (val: number): [Vec3, Vec3][] => {
|
|
612
|
+
const pz = normalize_z(val)
|
|
613
|
+
return [
|
|
614
|
+
[[-half_x, pz, pos.z], [half_x, pz, pos.z]],
|
|
615
|
+
[[pos.x, pz, -half_y], [pos.x, pz, half_y]],
|
|
616
|
+
]
|
|
617
|
+
},
|
|
618
|
+
tick_label_pos: (
|
|
619
|
+
val: number,
|
|
620
|
+
): Vec3 => [pos.x + sign_x * 0.5, normalize_z(val), pos.z],
|
|
621
|
+
axis_label_pos: [pos.x + sign_x, 0, pos.z] as Vec3,
|
|
622
|
+
},
|
|
623
|
+
])
|
|
624
|
+
|
|
625
|
+
// Pre-computed geometries for tick marks and grid lines, indexed by axis and tick position
|
|
626
|
+
type AxisGeomData = {
|
|
627
|
+
tick_geoms: THREE.BufferGeometry[]
|
|
628
|
+
grid_geoms: THREE.BufferGeometry[][]
|
|
629
|
+
}
|
|
630
|
+
const empty_geom_data = (): AxisGeomData => ({ tick_geoms: [], grid_geoms: [] })
|
|
631
|
+
let axis_geom_data: Record<AxisKey, AxisGeomData> = $state({
|
|
632
|
+
x: empty_geom_data(),
|
|
633
|
+
y: empty_geom_data(),
|
|
634
|
+
z: empty_geom_data(),
|
|
635
|
+
})
|
|
636
|
+
|
|
637
|
+
// Recreate tick/grid geometries when axes config changes
|
|
638
|
+
$effect(() => {
|
|
639
|
+
const config = axes_config
|
|
640
|
+
// Dispose old geometries (untracked to avoid dependency cycle)
|
|
641
|
+
untrack(() => {
|
|
642
|
+
for (const key of AXIS_KEYS) {
|
|
643
|
+
axis_geom_data[key].tick_geoms.forEach((geom) => geom.dispose())
|
|
644
|
+
axis_geom_data[key].grid_geoms.flat().forEach((geom) => geom.dispose())
|
|
645
|
+
}
|
|
646
|
+
})
|
|
647
|
+
for (const { key, ticks, get_tick_pos, get_tick_end, get_grid_lines } of config) {
|
|
648
|
+
axis_geom_data[key] = {
|
|
649
|
+
tick_geoms: ticks.map((val) =>
|
|
650
|
+
create_line_geometry(get_tick_pos(val), get_tick_end(val))
|
|
651
|
+
),
|
|
652
|
+
grid_geoms: ticks.map((val) =>
|
|
653
|
+
get_grid_lines(val).map(([start, end]) => create_line_geometry(start, end))
|
|
654
|
+
),
|
|
655
|
+
}
|
|
656
|
+
}
|
|
657
|
+
})
|
|
658
|
+
</script>
|
|
659
|
+
|
|
660
|
+
{#if camera_projection === `perspective`}
|
|
661
|
+
<T.PerspectiveCamera makeDefault position={camera_position} {fov} near={0.1} far={1000}>
|
|
662
|
+
<extras.OrbitControls bind:ref={orbit_controls} {...orbit_controls_props}>
|
|
663
|
+
{#if gizmo_props}<extras.Gizmo {...gizmo_props} />{/if}
|
|
664
|
+
</extras.OrbitControls>
|
|
665
|
+
</T.PerspectiveCamera>
|
|
666
|
+
{:else}
|
|
667
|
+
<T.OrthographicCamera
|
|
668
|
+
makeDefault
|
|
669
|
+
position={camera_position}
|
|
670
|
+
zoom={Math.min(width, height) / Math.max(scene_x, scene_y) / 2 || 50}
|
|
671
|
+
near={-100}
|
|
672
|
+
far={1000}
|
|
673
|
+
>
|
|
674
|
+
<extras.OrbitControls bind:ref={orbit_controls} {...orbit_controls_props}>
|
|
675
|
+
{#if gizmo_props}<extras.Gizmo {...gizmo_props} />{/if}
|
|
676
|
+
</extras.OrbitControls>
|
|
677
|
+
</T.OrthographicCamera>
|
|
678
|
+
{/if}
|
|
679
|
+
|
|
680
|
+
<!-- Lighting -->
|
|
681
|
+
<T.DirectionalLight position={[10, 20, 10]} intensity={directional_light} />
|
|
682
|
+
<T.DirectionalLight position={[-10, -10, -10]} intensity={directional_light * 0.3} />
|
|
683
|
+
<T.AmbientLight intensity={ambient_light} />
|
|
684
|
+
|
|
685
|
+
<!-- Background planes with subtle shading - always on backside relative to camera -->
|
|
686
|
+
{#if display.show_grid !== false}
|
|
687
|
+
{@const plane_mat = {
|
|
688
|
+
color: `#888`,
|
|
689
|
+
opacity: 0.04,
|
|
690
|
+
transparent: true,
|
|
691
|
+
side: THREE.DoubleSide,
|
|
692
|
+
depthWrite: false,
|
|
693
|
+
}}
|
|
694
|
+
<T.Mesh position={[0, pos.y, 0]} rotation.x={-Math.PI / 2} renderOrder={-1}>
|
|
695
|
+
<T.PlaneGeometry args={[scene_x, scene_y]} />
|
|
696
|
+
<T.MeshBasicMaterial {...plane_mat} />
|
|
697
|
+
</T.Mesh>
|
|
698
|
+
<T.Mesh position={[0, 0, pos.z]} renderOrder={-1}>
|
|
699
|
+
<T.PlaneGeometry args={[scene_x, scene_z]} />
|
|
700
|
+
<T.MeshBasicMaterial {...plane_mat} />
|
|
701
|
+
</T.Mesh>
|
|
702
|
+
<T.Mesh position={[pos.x, 0, 0]} rotation.y={Math.PI / 2} renderOrder={-1}>
|
|
703
|
+
<T.PlaneGeometry args={[scene_y, scene_z]} />
|
|
704
|
+
<T.MeshBasicMaterial {...plane_mat} />
|
|
705
|
+
</T.Mesh>
|
|
706
|
+
{/if}
|
|
707
|
+
|
|
708
|
+
<!-- Axes with ticks and grid -->
|
|
709
|
+
{#if display.show_axes !== false}
|
|
710
|
+
{#each axes_config as { key, color, axis, ticks, tick_label_pos, axis_label_pos } (key)}
|
|
711
|
+
<!-- Main axis line -->
|
|
712
|
+
<T.Line>
|
|
713
|
+
<T is={axis_geometries[key]} />
|
|
714
|
+
<T.LineBasicMaterial {color} linewidth={2} />
|
|
715
|
+
</T.Line>
|
|
716
|
+
<!-- Ticks and grid -->
|
|
717
|
+
{#each ticks as tick_val, tick_idx (tick_val)}
|
|
718
|
+
{#if axis_geom_data[key].tick_geoms[tick_idx]}
|
|
719
|
+
<T.Line>
|
|
720
|
+
<T is={axis_geom_data[key].tick_geoms[tick_idx]} />
|
|
721
|
+
<T.LineBasicMaterial {color} />
|
|
722
|
+
</T.Line>
|
|
723
|
+
{/if}
|
|
724
|
+
{#if display.show_grid !== false}
|
|
725
|
+
{#each axis_geom_data[key].grid_geoms[tick_idx] ?? [] as
|
|
726
|
+
grid_geom,
|
|
727
|
+
grid_idx
|
|
728
|
+
(grid_idx)
|
|
729
|
+
}
|
|
730
|
+
<T.Line>
|
|
731
|
+
<T is={grid_geom} />
|
|
732
|
+
<T.LineBasicMaterial color="#888" opacity={0.4} transparent />
|
|
733
|
+
</T.Line>
|
|
734
|
+
{/each}
|
|
735
|
+
{/if}
|
|
736
|
+
<extras.HTML position={tick_label_pos(tick_val)} center>
|
|
737
|
+
<span class="tick-label">{format_num(tick_val, axis.format || `.2~g`)}</span>
|
|
738
|
+
</extras.HTML>
|
|
739
|
+
{/each}
|
|
740
|
+
<!-- Axis label -->
|
|
741
|
+
<extras.HTML position={axis_label_pos} center>
|
|
742
|
+
<span class="axis-label" style:color>{axis.label || key.toUpperCase()}</span>
|
|
743
|
+
</extras.HTML>
|
|
744
|
+
{/each}
|
|
745
|
+
{/if}
|
|
746
|
+
|
|
747
|
+
<!-- Surfaces -->
|
|
748
|
+
{#each surfaces.filter((srf) => srf.visible !== false) as
|
|
749
|
+
surface
|
|
750
|
+
(surface.id ?? surfaces.indexOf(surface))
|
|
751
|
+
}
|
|
752
|
+
<Surface3D
|
|
753
|
+
config={surface}
|
|
754
|
+
{x_range}
|
|
755
|
+
{y_range}
|
|
756
|
+
{z_range}
|
|
757
|
+
{scene_x}
|
|
758
|
+
{scene_y}
|
|
759
|
+
{scene_z}
|
|
760
|
+
/>
|
|
761
|
+
{/each}
|
|
762
|
+
|
|
763
|
+
<!-- Reference Planes -->
|
|
764
|
+
{#each (ref_planes ?? []).filter((plane) => plane.visible !== false) as
|
|
765
|
+
ref_plane,
|
|
766
|
+
plane_idx
|
|
767
|
+
(ref_plane.id ?? plane_idx)
|
|
768
|
+
}
|
|
769
|
+
<ReferencePlane
|
|
770
|
+
{ref_plane}
|
|
771
|
+
scene_size={[scene_x, scene_y, scene_z]}
|
|
772
|
+
ranges={{ x: x_range, y: y_range, z: z_range }}
|
|
773
|
+
/>
|
|
774
|
+
{/each}
|
|
775
|
+
|
|
776
|
+
<!-- Reference Lines -->
|
|
777
|
+
{#each (ref_lines ?? []).filter((line) => line.visible !== false) as
|
|
778
|
+
ref_line,
|
|
779
|
+
line_idx
|
|
780
|
+
(ref_line.id ?? line_idx)
|
|
781
|
+
}
|
|
782
|
+
<ReferenceLine3D
|
|
783
|
+
{ref_line}
|
|
784
|
+
scene_size={[scene_x, scene_y, scene_z]}
|
|
785
|
+
ranges={{ x: x_range, y: y_range, z: z_range }}
|
|
786
|
+
/>
|
|
787
|
+
{/each}
|
|
788
|
+
|
|
789
|
+
<!-- Series lines connecting points (fat lines using Line2) -->
|
|
790
|
+
{#each series_lines as line_data (line_data.series_idx)}
|
|
791
|
+
<T is={line_data.line2} />
|
|
792
|
+
{/each}
|
|
793
|
+
|
|
794
|
+
<!-- Instanced scatter points with per-instance colors and event handling -->
|
|
795
|
+
{#each radius_groups as group (group.radius)}
|
|
796
|
+
<extras.InstancedMesh
|
|
797
|
+
limit={group.points.length}
|
|
798
|
+
range={group.points.length}
|
|
799
|
+
frustumCulled={false}
|
|
800
|
+
>
|
|
801
|
+
<T.SphereGeometry args={[1, sphere_segments, sphere_segments]} />
|
|
802
|
+
<T.MeshStandardMaterial vertexColors={false} />
|
|
803
|
+
{#each group.points as point, idx (`${point.series_idx}-${point.point_idx}`)}
|
|
804
|
+
<extras.Instance
|
|
805
|
+
position={[point.x, point.y, point.z]}
|
|
806
|
+
scale={group.radius}
|
|
807
|
+
color={group.colors[idx]}
|
|
808
|
+
onpointerenter={() => handle_point_enter(point)}
|
|
809
|
+
onpointerleave={() => {
|
|
810
|
+
hovered_point = null
|
|
811
|
+
on_point_hover?.(null)
|
|
812
|
+
}}
|
|
813
|
+
onclick={(evt: MouseEvent) => handle_point_click(point, evt)}
|
|
814
|
+
/>
|
|
815
|
+
{/each}
|
|
816
|
+
</extras.InstancedMesh>
|
|
817
|
+
{/each}
|
|
818
|
+
|
|
819
|
+
<!-- Plane Projections - render point shadows on enabled background planes -->
|
|
820
|
+
{#each projection_configs as { key, get_pos } (key)}
|
|
821
|
+
{#each radius_groups as group (group.radius)}
|
|
822
|
+
<extras.InstancedMesh
|
|
823
|
+
limit={group.points.length}
|
|
824
|
+
range={group.points.length}
|
|
825
|
+
frustumCulled={false}
|
|
826
|
+
>
|
|
827
|
+
<T.SphereGeometry args={[1, 8, 8]} />
|
|
828
|
+
<T.MeshBasicMaterial transparent opacity={proj_opacity} depthWrite={false} />
|
|
829
|
+
{#each group.points as point, idx (`${key}-${point.series_idx}-${point.point_idx}`)}
|
|
830
|
+
<extras.Instance
|
|
831
|
+
position={get_pos(point)}
|
|
832
|
+
scale={group.radius * proj_scale}
|
|
833
|
+
color={group.colors[idx]}
|
|
834
|
+
/>
|
|
835
|
+
{/each}
|
|
836
|
+
</extras.InstancedMesh>
|
|
837
|
+
{/each}
|
|
838
|
+
{/each}
|
|
839
|
+
|
|
840
|
+
<!-- Hover highlight -->
|
|
841
|
+
{#if hovered_point}
|
|
842
|
+
{@const hp = hovered_point}
|
|
843
|
+
{@const group = radius_groups.find((grp) =>
|
|
844
|
+
grp.points.some((pt) =>
|
|
845
|
+
pt.series_idx === hp.series_idx && pt.point_idx === hp.point_idx
|
|
846
|
+
)
|
|
847
|
+
)}
|
|
848
|
+
<T.Mesh position={[hp.x, hp.y, hp.z]} scale={(group?.radius ?? 0.1) * 1.5}>
|
|
849
|
+
<T.SphereGeometry args={[1, 16, 16]} />
|
|
850
|
+
<T.MeshStandardMaterial
|
|
851
|
+
color="white"
|
|
852
|
+
transparent
|
|
853
|
+
opacity={0.4}
|
|
854
|
+
emissive="white"
|
|
855
|
+
emissiveIntensity={0.3}
|
|
856
|
+
depthTest={false}
|
|
857
|
+
depthWrite={false}
|
|
858
|
+
/>
|
|
859
|
+
</T.Mesh>
|
|
860
|
+
{/if}
|
|
861
|
+
|
|
862
|
+
<!-- Tooltip -->
|
|
863
|
+
{#if hovered_point}
|
|
864
|
+
{@const hp = hovered_point}
|
|
865
|
+
{@const data = make_event_data(hp)}
|
|
866
|
+
{#if data}
|
|
867
|
+
<extras.HTML position={[hp.x, hp.y + 0.3, hp.z]} center>
|
|
868
|
+
{#if tooltip}
|
|
869
|
+
{@render tooltip(data)}
|
|
870
|
+
{:else}
|
|
871
|
+
<div class="tooltip">
|
|
872
|
+
<div>x: {data.x_formatted}</div>
|
|
873
|
+
<div>y: {data.y_formatted}</div>
|
|
874
|
+
<div>z: {data.z_formatted}</div>
|
|
875
|
+
{#if data.color_value != null}
|
|
876
|
+
<div>value: {format_num(data.color_value, `.3~g`)}</div>
|
|
877
|
+
{/if}
|
|
878
|
+
</div>
|
|
879
|
+
{/if}
|
|
880
|
+
</extras.HTML>
|
|
881
|
+
{/if}
|
|
882
|
+
{/if}
|
|
883
|
+
|
|
884
|
+
<style>
|
|
885
|
+
:is(.axis-label, .tick-label) {
|
|
886
|
+
pointer-events: none;
|
|
887
|
+
user-select: none;
|
|
888
|
+
white-space: nowrap;
|
|
889
|
+
}
|
|
890
|
+
.axis-label {
|
|
891
|
+
font-size: 13px;
|
|
892
|
+
font-weight: 600;
|
|
893
|
+
}
|
|
894
|
+
.tick-label {
|
|
895
|
+
font-size: 10px;
|
|
896
|
+
color: var(--text-color, #333);
|
|
897
|
+
}
|
|
898
|
+
.tooltip {
|
|
899
|
+
background: var(--scatter3d-tooltip-bg, rgba(0, 0, 0, 0.85));
|
|
900
|
+
color: var(--scatter3d-tooltip-color, white);
|
|
901
|
+
padding: 6px 10px;
|
|
902
|
+
border-radius: 4px;
|
|
903
|
+
font-size: 12px;
|
|
904
|
+
white-space: nowrap;
|
|
905
|
+
pointer-events: none;
|
|
906
|
+
user-select: none;
|
|
907
|
+
box-shadow: 0 2px 8px rgba(0, 0, 0, 0.3);
|
|
908
|
+
}
|
|
909
|
+
.tooltip div {
|
|
910
|
+
line-height: 1.4;
|
|
911
|
+
}
|
|
912
|
+
</style>
|