matterviz 0.3.6 → 0.4.0
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/dist/EmptyState.svelte.d.ts +9 -0
- package/dist/FilePicker.svelte +360 -0
- package/dist/FilePicker.svelte.d.ts +17 -0
- package/dist/Icon.svelte +44 -0
- package/dist/Icon.svelte.d.ts +13 -0
- package/dist/MillerIndexInput.svelte +66 -0
- package/dist/MillerIndexInput.svelte.d.ts +7 -0
- package/dist/api/mp.d.ts +6 -0
- package/dist/api/mp.js +22 -0
- package/dist/api/optimade.d.ts +45 -0
- package/dist/api/optimade.js +141 -0
- package/dist/app.css +244 -0
- package/dist/brillouin/BrillouinZone.svelte +554 -0
- package/dist/brillouin/BrillouinZone.svelte.d.ts +84 -0
- package/dist/brillouin/BrillouinZoneControls.svelte +144 -0
- package/dist/brillouin/BrillouinZoneControls.svelte.d.ts +17 -0
- package/dist/brillouin/BrillouinZoneExportPane.svelte +146 -0
- package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +15 -0
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +146 -0
- package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +13 -0
- package/dist/brillouin/BrillouinZoneScene.svelte +522 -0
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +49 -0
- package/dist/brillouin/BrillouinZoneTooltip.svelte +83 -0
- package/dist/brillouin/BrillouinZoneTooltip.svelte.d.ts +8 -0
- package/dist/brillouin/compute.d.ts +17 -0
- package/dist/brillouin/compute.js +422 -0
- package/dist/brillouin/index.d.ts +8 -0
- package/dist/brillouin/index.js +7 -0
- package/dist/brillouin/types.d.ts +43 -0
- package/dist/brillouin/types.js +1 -0
- package/dist/chempot-diagram/ChemPotDiagram.svelte +328 -0
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +843 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +3191 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
- package/dist/chempot-diagram/async-compute.svelte.d.ts +3 -0
- package/dist/chempot-diagram/async-compute.svelte.js +80 -0
- package/dist/chempot-diagram/chempot-worker.d.ts +1 -0
- package/dist/chempot-diagram/chempot-worker.js +12 -0
- package/dist/chempot-diagram/color.d.ts +10 -0
- package/dist/chempot-diagram/color.js +32 -0
- package/dist/chempot-diagram/compute.d.ts +48 -0
- package/dist/chempot-diagram/compute.js +804 -0
- package/dist/chempot-diagram/index.d.ts +6 -0
- package/dist/chempot-diagram/index.js +6 -0
- package/dist/chempot-diagram/pointer.d.ts +16 -0
- package/dist/chempot-diagram/pointer.js +40 -0
- package/dist/chempot-diagram/temperature.d.ts +15 -0
- package/dist/chempot-diagram/temperature.js +34 -0
- package/dist/chempot-diagram/types.d.ts +81 -0
- package/dist/chempot-diagram/types.js +28 -0
- package/dist/colors/index.d.ts +47 -0
- package/dist/colors/index.js +204 -0
- package/dist/composition/BarChart.svelte +297 -0
- package/dist/composition/BarChart.svelte.d.ts +39 -0
- package/dist/composition/BubbleChart.svelte +218 -0
- package/dist/composition/BubbleChart.svelte.d.ts +28 -0
- package/dist/composition/Composition.svelte +165 -0
- package/dist/composition/Composition.svelte.d.ts +15 -0
- package/dist/composition/Formula.svelte +268 -0
- package/dist/composition/Formula.svelte.d.ts +19 -0
- package/dist/composition/FormulaFilter.svelte +1263 -0
- package/dist/composition/FormulaFilter.svelte.d.ts +51 -0
- package/dist/composition/PieChart.svelte +324 -0
- package/dist/composition/PieChart.svelte.d.ts +37 -0
- package/dist/composition/chem-sys.d.ts +8 -0
- package/dist/composition/chem-sys.js +85 -0
- package/dist/composition/format.d.ts +15 -0
- package/dist/composition/format.js +111 -0
- package/dist/composition/index.d.ts +21 -0
- package/dist/composition/index.js +15 -0
- package/dist/composition/parse.d.ts +56 -0
- package/dist/composition/parse.js +486 -0
- package/dist/constants.d.ts +29 -0
- package/dist/constants.js +99 -0
- package/dist/controls.d.ts +14 -0
- package/dist/controls.js +30 -0
- package/dist/convex-hull/ConvexHull.svelte +157 -0
- package/dist/convex-hull/ConvexHull.svelte.d.ts +13 -0
- package/dist/convex-hull/ConvexHull2D.svelte +827 -0
- package/dist/convex-hull/ConvexHull2D.svelte.d.ts +11 -0
- package/dist/convex-hull/ConvexHull3D.svelte +1801 -0
- package/dist/convex-hull/ConvexHull3D.svelte.d.ts +8 -0
- package/dist/convex-hull/ConvexHull4D.svelte +1394 -0
- package/dist/convex-hull/ConvexHull4D.svelte.d.ts +8 -0
- package/dist/convex-hull/ConvexHullControls.svelte +535 -0
- package/dist/convex-hull/ConvexHullControls.svelte.d.ts +48 -0
- package/dist/convex-hull/ConvexHullInfoPane.svelte +125 -0
- package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +20 -0
- package/dist/convex-hull/ConvexHullStats.svelte +929 -0
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +17 -0
- package/dist/convex-hull/ConvexHullTooltip.svelte +131 -0
- package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +33 -0
- package/dist/convex-hull/GasPressureControls.svelte +247 -0
- package/dist/convex-hull/GasPressureControls.svelte.d.ts +11 -0
- package/dist/convex-hull/StructurePopup.svelte +151 -0
- package/dist/convex-hull/StructurePopup.svelte.d.ts +18 -0
- package/dist/convex-hull/TemperatureSlider.svelte +140 -0
- package/dist/convex-hull/TemperatureSlider.svelte.d.ts +8 -0
- package/dist/convex-hull/barycentric-coords.d.ts +18 -0
- package/dist/convex-hull/barycentric-coords.js +182 -0
- package/dist/convex-hull/demo-temperature.d.ts +6 -0
- package/dist/convex-hull/demo-temperature.js +38 -0
- package/dist/convex-hull/gas-thermodynamics.d.ts +16 -0
- package/dist/convex-hull/gas-thermodynamics.js +306 -0
- package/dist/convex-hull/helpers.d.ts +117 -0
- package/dist/convex-hull/helpers.js +718 -0
- package/dist/convex-hull/index.d.ts +119 -0
- package/dist/convex-hull/index.js +58 -0
- package/dist/convex-hull/thermodynamics.d.ts +67 -0
- package/dist/convex-hull/thermodynamics.js +1757 -0
- package/dist/convex-hull/types.d.ts +162 -0
- package/dist/convex-hull/types.js +36 -0
- package/dist/coordination/CoordinationBarPlot.svelte +311 -0
- package/dist/coordination/CoordinationBarPlot.svelte.d.ts +30 -0
- package/dist/coordination/calc-coordination.d.ts +15 -0
- package/dist/coordination/calc-coordination.js +63 -0
- package/dist/coordination/index.d.ts +8 -0
- package/dist/coordination/index.js +7 -0
- package/dist/effects.svelte.d.ts +12 -0
- package/dist/effects.svelte.js +37 -0
- package/dist/element/BohrAtom.svelte.d.ts +20 -0
- package/dist/element/ElementHeading.svelte +26 -0
- package/dist/element/ElementHeading.svelte.d.ts +8 -0
- package/dist/element/ElementPhoto.svelte +57 -0
- package/dist/element/ElementPhoto.svelte.d.ts +9 -0
- package/dist/element/ElementStats.svelte +80 -0
- package/dist/element/ElementStats.svelte.d.ts +8 -0
- package/dist/element/ElementTile.svelte +484 -0
- package/dist/element/ElementTile.svelte.d.ts +29 -0
- package/dist/element/Nucleus.svelte.d.ts +17 -0
- package/dist/element/data.d.ts +2 -0
- package/dist/element/data.js +2 -0
- package/dist/element/index.d.ts +8 -0
- package/dist/element/index.js +7 -0
- package/dist/element/types.d.ts +57 -0
- package/dist/element/types.js +1 -0
- package/dist/feedback/ClickFeedback.svelte +58 -0
- package/dist/feedback/ClickFeedback.svelte.d.ts +12 -0
- package/dist/feedback/DragOverlay.svelte +42 -0
- package/dist/feedback/DragOverlay.svelte.d.ts +7 -0
- package/dist/feedback/Spinner.svelte.d.ts +7 -0
- package/dist/feedback/StatusMessage.svelte.d.ts +9 -0
- package/dist/feedback/index.d.ts +4 -0
- package/dist/feedback/index.js +4 -0
- package/dist/fermi-surface/FermiSlice.svelte +197 -0
- package/dist/fermi-surface/FermiSlice.svelte.d.ts +24 -0
- package/dist/fermi-surface/FermiSurface.svelte +606 -0
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +83 -0
- package/dist/fermi-surface/FermiSurfaceControls.svelte +448 -0
- package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +35 -0
- package/dist/fermi-surface/FermiSurfaceScene.svelte +797 -0
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +50 -0
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte +85 -0
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte.d.ts +8 -0
- package/dist/fermi-surface/compute.d.ts +5 -0
- package/dist/fermi-surface/compute.js +538 -0
- package/dist/fermi-surface/constants.d.ts +9 -0
- package/dist/fermi-surface/constants.js +27 -0
- package/dist/fermi-surface/export.d.ts +5 -0
- package/dist/fermi-surface/export.js +51 -0
- package/dist/fermi-surface/index.d.ts +12 -0
- package/dist/fermi-surface/index.js +13 -0
- package/dist/fermi-surface/marching-cubes.d.ts +2 -0
- package/dist/fermi-surface/marching-cubes.js +2 -0
- package/dist/fermi-surface/parse.d.ts +2 -0
- package/dist/fermi-surface/parse.js +494 -0
- package/dist/fermi-surface/symmetry.d.ts +3 -0
- package/dist/fermi-surface/symmetry.js +46 -0
- package/dist/fermi-surface/types.d.ts +111 -0
- package/dist/fermi-surface/types.js +4 -0
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +1547 -0
- package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +30 -0
- package/dist/heatmap-matrix/index.d.ts +53 -0
- package/dist/heatmap-matrix/index.js +100 -0
- package/dist/heatmap-matrix/shared.d.ts +2 -0
- package/dist/heatmap-matrix/shared.js +4 -0
- package/dist/icons.d.ts +569 -0
- package/dist/icons.js +648 -0
- package/dist/index.d.ts +39 -0
- package/dist/index.js +39 -0
- package/dist/io/decompress.d.ts +11 -0
- package/dist/io/decompress.js +76 -0
- package/dist/io/export.d.ts +16 -0
- package/dist/io/export.js +338 -0
- package/dist/io/fetch.d.ts +5 -0
- package/dist/io/fetch.js +43 -0
- package/dist/io/file-drop.d.ts +7 -0
- package/dist/io/file-drop.js +42 -0
- package/dist/io/index.d.ts +7 -0
- package/dist/io/index.js +6 -0
- package/dist/io/is-binary.d.ts +1 -0
- package/dist/io/is-binary.js +20 -0
- package/dist/io/types.d.ts +8 -0
- package/dist/io/types.js +1 -0
- package/dist/io/url-drop.d.ts +2 -0
- package/dist/io/url-drop.js +154 -0
- package/dist/isosurface/Isosurface.svelte +285 -0
- package/dist/isosurface/Isosurface.svelte.d.ts +8 -0
- package/dist/isosurface/IsosurfaceControls.svelte +277 -0
- package/dist/isosurface/IsosurfaceControls.svelte.d.ts +9 -0
- package/dist/isosurface/index.d.ts +5 -0
- package/dist/isosurface/index.js +6 -0
- package/dist/isosurface/parse.d.ts +6 -0
- package/dist/isosurface/parse.js +552 -0
- package/dist/isosurface/slice.d.ts +11 -0
- package/dist/isosurface/slice.js +141 -0
- package/dist/isosurface/types.d.ts +56 -0
- package/dist/isosurface/types.js +227 -0
- package/dist/keyboard.d.ts +3 -0
- package/dist/keyboard.js +23 -0
- package/dist/labels.d.ts +53 -0
- package/dist/labels.js +278 -0
- package/dist/layout/FullscreenToggle.svelte +50 -0
- package/dist/layout/FullscreenToggle.svelte.d.ts +7 -0
- package/dist/layout/InfoCard.svelte +120 -0
- package/dist/layout/InfoCard.svelte.d.ts +21 -0
- package/dist/layout/InfoTag.svelte +185 -0
- package/dist/layout/InfoTag.svelte.d.ts +19 -0
- package/dist/layout/PropertyFilter.svelte +247 -0
- package/dist/layout/PropertyFilter.svelte.d.ts +24 -0
- package/dist/layout/SettingsSection.svelte +148 -0
- package/dist/layout/SettingsSection.svelte.d.ts +17 -0
- package/dist/layout/SubpageGrid.svelte +82 -0
- package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
- package/dist/layout/fullscreen.d.ts +9 -0
- package/dist/layout/fullscreen.js +53 -0
- package/dist/layout/index.d.ts +10 -0
- package/dist/layout/index.js +8 -0
- package/dist/layout/json-tree/JsonNode.svelte +548 -0
- package/dist/layout/json-tree/JsonNode.svelte.d.ts +11 -0
- package/dist/layout/json-tree/JsonTree.svelte +1230 -0
- package/dist/layout/json-tree/JsonTree.svelte.d.ts +6 -0
- package/dist/layout/json-tree/JsonValue.svelte.d.ts +9 -0
- package/dist/layout/json-tree/index.d.ts +3 -0
- package/dist/layout/json-tree/index.js +3 -0
- package/dist/layout/json-tree/types.d.ts +74 -0
- package/dist/layout/json-tree/types.js +2 -0
- package/dist/layout/json-tree/utils.d.ts +29 -0
- package/dist/layout/json-tree/utils.js +642 -0
- package/dist/marching-cubes.d.ts +14 -0
- package/dist/marching-cubes.js +535 -0
- package/dist/math.d.ts +105 -0
- package/dist/math.js +920 -0
- package/dist/overlays/ContextMenu.svelte +162 -0
- package/dist/overlays/ContextMenu.svelte.d.ts +25 -0
- package/dist/overlays/CopyButton.svelte +45 -0
- package/dist/overlays/CopyButton.svelte.d.ts +8 -0
- package/dist/overlays/DragControlTab.svelte +98 -0
- package/dist/overlays/DragControlTab.svelte.d.ts +8 -0
- package/dist/overlays/DraggablePane.svelte +487 -0
- package/dist/overlays/DraggablePane.svelte.d.ts +36 -0
- package/dist/overlays/InfoPaneCards.svelte +149 -0
- package/dist/overlays/InfoPaneCards.svelte.d.ts +22 -0
- package/dist/overlays/index.d.ts +3 -0
- package/dist/overlays/index.js +3 -0
- package/dist/periodic-table/PeriodicTable.svelte +480 -0
- package/dist/periodic-table/PeriodicTable.svelte.d.ts +55 -0
- package/dist/periodic-table/PeriodicTableControls.svelte +557 -0
- package/dist/periodic-table/PeriodicTableControls.svelte.d.ts +24 -0
- package/dist/periodic-table/PropertySelect.svelte +38 -0
- package/dist/periodic-table/PropertySelect.svelte.d.ts +13 -0
- package/dist/periodic-table/TableInset.svelte.d.ts +9 -0
- package/dist/periodic-table/index.d.ts +10 -0
- package/dist/periodic-table/index.js +4 -0
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1092 -0
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +44 -0
- package/dist/phase-diagram/PhaseDiagramControls.svelte +444 -0
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +30 -0
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +127 -0
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +19 -0
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +16 -0
- package/dist/phase-diagram/TdbInfoPanel.svelte +203 -0
- package/dist/phase-diagram/TdbInfoPanel.svelte.d.ts +12 -0
- package/dist/phase-diagram/build-diagram.d.ts +11 -0
- package/dist/phase-diagram/build-diagram.js +160 -0
- package/dist/phase-diagram/colors.d.ts +35 -0
- package/dist/phase-diagram/colors.js +51 -0
- package/dist/phase-diagram/diagram-input.d.ts +29 -0
- package/dist/phase-diagram/diagram-input.js +3 -0
- package/dist/phase-diagram/index.d.ts +13 -0
- package/dist/phase-diagram/index.js +11 -0
- package/dist/phase-diagram/parse.d.ts +55 -0
- package/dist/phase-diagram/parse.js +273 -0
- package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
- package/dist/phase-diagram/svg-to-diagram.js +867 -0
- package/dist/phase-diagram/types.d.ts +93 -0
- package/dist/phase-diagram/types.js +1 -0
- package/dist/phase-diagram/utils.d.ts +118 -0
- package/dist/phase-diagram/utils.js +600 -0
- package/dist/plot/bar/BarPlot.svelte +1755 -0
- package/dist/plot/bar/BarPlot.svelte.d.ts +84 -0
- package/dist/plot/bar/BarPlotControls.svelte +67 -0
- package/dist/plot/bar/BarPlotControls.svelte.d.ts +18 -0
- package/dist/plot/bar/SpacegroupBarPlot.svelte +293 -0
- package/dist/plot/bar/SpacegroupBarPlot.svelte.d.ts +9 -0
- package/dist/plot/bar/data.d.ts +40 -0
- package/dist/plot/bar/data.js +154 -0
- package/dist/plot/bar/geometry.d.ts +39 -0
- package/dist/plot/bar/geometry.js +60 -0
- package/dist/plot/bar/index.d.ts +3 -0
- package/dist/plot/bar/index.js +3 -0
- package/dist/plot/box/BoxPlot.svelte +1462 -0
- package/dist/plot/box/BoxPlot.svelte.d.ts +94 -0
- package/dist/plot/box/BoxPlotControls.svelte +109 -0
- package/dist/plot/box/BoxPlotControls.svelte.d.ts +19 -0
- package/dist/plot/box/Violin.svelte +14 -0
- package/dist/plot/box/Violin.svelte.d.ts +70 -0
- package/dist/plot/box/box-plot.d.ts +55 -0
- package/dist/plot/box/box-plot.js +126 -0
- package/dist/plot/box/index.d.ts +5 -0
- package/dist/plot/box/index.js +5 -0
- package/dist/plot/box/kde.d.ts +16 -0
- package/dist/plot/box/kde.js +160 -0
- package/dist/plot/box/quantile.d.ts +3 -0
- package/dist/plot/box/quantile.js +53 -0
- package/dist/plot/core/auto-place.d.ts +43 -0
- package/dist/plot/core/auto-place.js +122 -0
- package/dist/plot/core/axis-utils.d.ts +46 -0
- package/dist/plot/core/axis-utils.js +110 -0
- package/dist/plot/core/components/AxisLabel.svelte +51 -0
- package/dist/plot/core/components/AxisLabel.svelte.d.ts +16 -0
- package/dist/plot/core/components/ColorBar.svelte +724 -0
- package/dist/plot/core/components/ColorBar.svelte.d.ts +31 -0
- package/dist/plot/core/components/ColorScaleSelect.svelte +55 -0
- package/dist/plot/core/components/ColorScaleSelect.svelte.d.ts +15 -0
- package/dist/plot/core/components/ControlPane.svelte +46 -0
- package/dist/plot/core/components/ControlPane.svelte.d.ts +13 -0
- package/dist/plot/core/components/FillArea.svelte +234 -0
- package/dist/plot/core/components/FillArea.svelte.d.ts +21 -0
- package/dist/plot/core/components/InteractiveAxisLabel.svelte +96 -0
- package/dist/plot/core/components/InteractiveAxisLabel.svelte.d.ts +14 -0
- package/dist/plot/core/components/Line.svelte +101 -0
- package/dist/plot/core/components/Line.svelte.d.ts +15 -0
- package/dist/plot/core/components/PlotAxis.svelte +171 -0
- package/dist/plot/core/components/PlotAxis.svelte.d.ts +25 -0
- package/dist/plot/core/components/PlotControls.svelte +525 -0
- package/dist/plot/core/components/PlotControls.svelte.d.ts +4 -0
- package/dist/plot/core/components/PlotLegend.svelte +580 -0
- package/dist/plot/core/components/PlotLegend.svelte.d.ts +30 -0
- package/dist/plot/core/components/PlotTooltip.svelte +83 -0
- package/dist/plot/core/components/PlotTooltip.svelte.d.ts +25 -0
- package/dist/plot/core/components/PortalSelect.svelte +257 -0
- package/dist/plot/core/components/PortalSelect.svelte.d.ts +16 -0
- package/dist/plot/core/components/ReferenceLine.svelte +204 -0
- package/dist/plot/core/components/ReferenceLine.svelte.d.ts +20 -0
- package/dist/plot/core/components/ReferenceLine3D.svelte +156 -0
- package/dist/plot/core/components/ReferenceLine3D.svelte.d.ts +14 -0
- package/dist/plot/core/components/ReferencePlane.svelte +175 -0
- package/dist/plot/core/components/ReferencePlane.svelte.d.ts +14 -0
- package/dist/plot/core/components/ZeroLines.svelte +97 -0
- package/dist/plot/core/components/ZeroLines.svelte.d.ts +33 -0
- package/dist/plot/core/components/ZoomRect.svelte +23 -0
- package/dist/plot/core/components/ZoomRect.svelte.d.ts +8 -0
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- package/dist/src/lib/overlays/ContextMenu.svelte +0 -162
- package/dist/src/lib/overlays/CopyButton.svelte +0 -45
- package/dist/src/lib/overlays/DragControlTab.svelte +0 -98
- package/dist/src/lib/overlays/DraggablePane.svelte +0 -487
- package/dist/src/lib/overlays/InfoPaneCards.svelte +0 -149
- package/dist/src/lib/overlays/index.ts +0 -3
- package/dist/src/lib/periodic-table/PeriodicTable.svelte +0 -469
- package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +0 -557
- package/dist/src/lib/periodic-table/PropertySelect.svelte +0 -37
- package/dist/src/lib/periodic-table/index.ts +0 -12
- package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +0 -1086
- package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +0 -444
- package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +0 -126
- package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +0 -184
- package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +0 -391
- package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +0 -203
- package/dist/src/lib/phase-diagram/build-diagram.ts +0 -186
- package/dist/src/lib/phase-diagram/colors.ts +0 -58
- package/dist/src/lib/phase-diagram/diagram-input.ts +0 -40
- package/dist/src/lib/phase-diagram/index.ts +0 -13
- package/dist/src/lib/phase-diagram/parse.ts +0 -348
- package/dist/src/lib/phase-diagram/svg-to-diagram.ts +0 -1023
- package/dist/src/lib/phase-diagram/types.ts +0 -144
- package/dist/src/lib/phase-diagram/utils.ts +0 -775
- package/dist/src/lib/plot/AxisLabel.svelte +0 -51
- package/dist/src/lib/plot/BarPlot.svelte +0 -2113
- package/dist/src/lib/plot/BarPlotControls.svelte +0 -66
- package/dist/src/lib/plot/BinnedScatterPlot.svelte +0 -1114
- package/dist/src/lib/plot/ColorBar.svelte +0 -721
- package/dist/src/lib/plot/ColorScaleSelect.svelte +0 -54
- package/dist/src/lib/plot/ElementScatter.svelte +0 -63
- package/dist/src/lib/plot/FillArea.svelte +0 -223
- package/dist/src/lib/plot/Histogram.svelte +0 -1558
- package/dist/src/lib/plot/HistogramControls.svelte +0 -212
- package/dist/src/lib/plot/InteractiveAxisLabel.svelte +0 -96
- package/dist/src/lib/plot/Line.svelte +0 -84
- package/dist/src/lib/plot/PlotAxis.svelte +0 -169
- package/dist/src/lib/plot/PlotControls.svelte +0 -537
- package/dist/src/lib/plot/PlotLegend.svelte +0 -569
- package/dist/src/lib/plot/PlotTooltip.svelte +0 -67
- package/dist/src/lib/plot/PortalSelect.svelte +0 -253
- package/dist/src/lib/plot/ReferenceLine.svelte +0 -204
- package/dist/src/lib/plot/ReferenceLine3D.svelte +0 -156
- package/dist/src/lib/plot/ReferencePlane.svelte +0 -175
- package/dist/src/lib/plot/ScatterPlot.svelte +0 -2778
- package/dist/src/lib/plot/ScatterPlot3D.svelte +0 -529
- package/dist/src/lib/plot/ScatterPlot3DControls.svelte +0 -437
- package/dist/src/lib/plot/ScatterPlot3DScene.svelte +0 -912
- package/dist/src/lib/plot/ScatterPlotControls.svelte +0 -306
- package/dist/src/lib/plot/ScatterPoint.svelte +0 -182
- package/dist/src/lib/plot/SpacegroupBarPlot.svelte +0 -293
- package/dist/src/lib/plot/Surface3D.svelte +0 -197
- package/dist/src/lib/plot/ZeroLines.svelte +0 -97
- package/dist/src/lib/plot/ZoomRect.svelte +0 -23
- package/dist/src/lib/plot/adaptive-density.ts +0 -316
- package/dist/src/lib/plot/auto-place.ts +0 -184
- package/dist/src/lib/plot/axis-utils.ts +0 -122
- package/dist/src/lib/plot/binned-scatter-types.ts +0 -83
- package/dist/src/lib/plot/data-cleaning.ts +0 -1069
- package/dist/src/lib/plot/data-transform.ts +0 -69
- package/dist/src/lib/plot/defaults.ts +0 -9
- package/dist/src/lib/plot/fill-utils.ts +0 -494
- package/dist/src/lib/plot/hover-lock.svelte.ts +0 -60
- package/dist/src/lib/plot/index.ts +0 -53
- package/dist/src/lib/plot/interactions.ts +0 -119
- package/dist/src/lib/plot/layout.ts +0 -425
- package/dist/src/lib/plot/reference-line.ts +0 -426
- package/dist/src/lib/plot/scales.ts +0 -654
- package/dist/src/lib/plot/svg.ts +0 -23
- package/dist/src/lib/plot/types.ts +0 -1144
- package/dist/src/lib/plot/utils/label-placement.ts +0 -541
- package/dist/src/lib/plot/utils/series-visibility.ts +0 -140
- package/dist/src/lib/plot/utils.ts +0 -11
- package/dist/src/lib/rdf/RdfPlot.svelte +0 -247
- package/dist/src/lib/rdf/calc-rdf.ts +0 -167
- package/dist/src/lib/rdf/index.ts +0 -27
- package/dist/src/lib/sanitize.ts +0 -126
- package/dist/src/lib/settings.ts +0 -1479
- package/dist/src/lib/spectral/Bands.svelte +0 -1040
- package/dist/src/lib/spectral/BandsAndDos.svelte +0 -134
- package/dist/src/lib/spectral/BrillouinBandsDos.svelte +0 -252
- package/dist/src/lib/spectral/Dos.svelte +0 -697
- package/dist/src/lib/spectral/helpers.ts +0 -1381
- package/dist/src/lib/spectral/index.ts +0 -8
- package/dist/src/lib/spectral/types.ts +0 -112
- package/dist/src/lib/state.svelte.ts +0 -64
- package/dist/src/lib/structure/Arrow.svelte +0 -72
- package/dist/src/lib/structure/AtomLegend.svelte +0 -815
- package/dist/src/lib/structure/Bond.svelte +0 -140
- package/dist/src/lib/structure/CanvasTooltip.svelte +0 -33
- package/dist/src/lib/structure/CellSelect.svelte +0 -349
- package/dist/src/lib/structure/Cylinder.svelte +0 -45
- package/dist/src/lib/structure/Lattice.svelte +0 -196
- package/dist/src/lib/structure/Structure.svelte +0 -2248
- package/dist/src/lib/structure/StructureControls.svelte +0 -1273
- package/dist/src/lib/structure/StructureExportPane.svelte +0 -252
- package/dist/src/lib/structure/StructureInfoPane.svelte +0 -737
- package/dist/src/lib/structure/StructureScene.svelte +0 -2255
- package/dist/src/lib/structure/atom-properties.ts +0 -316
- package/dist/src/lib/structure/bond-order-perception.ts +0 -447
- package/dist/src/lib/structure/bonding.ts +0 -944
- package/dist/src/lib/structure/export.ts +0 -861
- package/dist/src/lib/structure/index.ts +0 -291
- package/dist/src/lib/structure/label-placement.ts +0 -130
- package/dist/src/lib/structure/measure.ts +0 -45
- package/dist/src/lib/structure/parse.ts +0 -1705
- package/dist/src/lib/structure/partial-occupancy.ts +0 -183
- package/dist/src/lib/structure/pbc.ts +0 -164
- package/dist/src/lib/structure/supercell.ts +0 -226
- package/dist/src/lib/structure/validation.ts +0 -11
- package/dist/src/lib/symmetry/SymmetryStats.svelte +0 -226
- package/dist/src/lib/symmetry/WyckoffTable.svelte +0 -120
- package/dist/src/lib/symmetry/cell-transform.ts +0 -118
- package/dist/src/lib/symmetry/index.ts +0 -348
- package/dist/src/lib/symmetry/spacegroups.ts +0 -404
- package/dist/src/lib/table/HeatmapTable.svelte +0 -1833
- package/dist/src/lib/table/ToggleMenu.svelte +0 -385
- package/dist/src/lib/table/index.ts +0 -139
- package/dist/src/lib/theme/ThemeControl.svelte +0 -53
- package/dist/src/lib/theme/index.ts +0 -107
- package/dist/src/lib/time.ts +0 -71
- package/dist/src/lib/tooltip/TooltipContent.svelte +0 -58
- package/dist/src/lib/tooltip/index.ts +0 -2
- package/dist/src/lib/tooltip/types.ts +0 -13
- package/dist/src/lib/trajectory/Trajectory.svelte +0 -1545
- package/dist/src/lib/trajectory/TrajectoryError.svelte +0 -128
- package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +0 -357
- package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +0 -313
- package/dist/src/lib/trajectory/constants.ts +0 -7
- package/dist/src/lib/trajectory/extract.ts +0 -196
- package/dist/src/lib/trajectory/format-detect.ts +0 -96
- package/dist/src/lib/trajectory/frame-reader.ts +0 -456
- package/dist/src/lib/trajectory/helpers.ts +0 -217
- package/dist/src/lib/trajectory/index.ts +0 -218
- package/dist/src/lib/trajectory/parse/ase.ts +0 -109
- package/dist/src/lib/trajectory/parse/hdf5.ts +0 -173
- package/dist/src/lib/trajectory/parse/index.ts +0 -411
- package/dist/src/lib/trajectory/parse/lammps.ts +0 -215
- package/dist/src/lib/trajectory/parse/vasp.ts +0 -102
- package/dist/src/lib/trajectory/parse/xyz.ts +0 -143
- package/dist/src/lib/trajectory/plotting.ts +0 -599
- package/dist/src/lib/trajectory/types.ts +0 -13
- package/dist/src/lib/utils.ts +0 -56
- package/dist/src/lib/xrd/XrdPlot.svelte +0 -615
- package/dist/src/lib/xrd/broadening.ts +0 -130
- package/dist/src/lib/xrd/calc-xrd.ts +0 -397
- package/dist/src/lib/xrd/index.ts +0 -38
- package/dist/src/lib/xrd/parse.ts +0 -858
- package/dist/webview.js +0 -29421
- package/icon.png +0 -0
- 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/scripts/sync-config.ts +0 -101
- package/src/declarations.d.ts +0 -2
- package/src/extension.ts +0 -972
- package/src/node-io.ts +0 -65
- package/src/types.ts +0 -17
- package/src/webview/JsonBrowser.svelte +0 -1079
- package/src/webview/PlotPanel.svelte +0 -346
- package/src/webview/detect.ts +0 -444
- package/src/webview/main.ts +0 -764
- package/src/webview/plot-utils.ts +0 -250
- 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 +0 -604
- package/tests/extension.test.ts +0 -2041
- package/tests/node-io.test.ts +0 -39
- package/tests/plot-utils.test.ts +0 -302
- package/tests/vite-plugin-json-gz.test.ts +0 -114
- package/tests/vscode-mock.ts +0 -18
- package/tests/webview.test.ts +0 -231
- package/tsconfig.json +0 -20
- package/vite-plugin-json-gz.ts +0 -29
- package/vite.config.ts +0 -34
- package/vite.extension.config.ts +0 -34
- /package/dist/{src/lib/EmptyState.svelte → EmptyState.svelte} +0 -0
- /package/dist/{src/lib/chempot-diagram → chempot-diagram}/ChemPotScene3D.svelte +0 -0
- /package/dist/{src/lib/colors → colors}/alloy-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/dark-mode-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/jmol-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/muted-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/pastel-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/vesta-colors.json +0 -0
- /package/dist/{src/lib/element → element}/BohrAtom.svelte +0 -0
- /package/dist/{src/lib/element → element}/Nucleus.svelte +0 -0
- /package/dist/{src/lib/element → element}/data.json +0 -0
- /package/dist/{src/lib/element → element}/data.json.gz +0 -0
- /package/dist/{src/lib/element → element}/data.json.gz.d.ts +0 -0
- /package/dist/{src/lib/element → element}/data.schema.json +0 -0
- /package/dist/{src/lib/element-image-urls.json → element-image-urls.json} +0 -0
- /package/dist/{src/lib/feedback → feedback}/Spinner.svelte +0 -0
- /package/dist/{src/lib/feedback → feedback}/StatusMessage.svelte +0 -0
- /package/dist/{src/lib/layout → layout}/json-tree/JsonValue.svelte +0 -0
- /package/dist/{src/lib/periodic-table → periodic-table}/TableInset.svelte +0 -0
- /package/dist/{src/lib/theme → theme}/themes.mjs +0 -0
- /package/dist/{src/lib/xrd → xrd}/atomic_scattering_params.json +0 -0
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+
bind:x_axis
|
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39
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+
bind:x2_axis
|
|
40
|
+
bind:y_axis
|
|
41
|
+
bind:y2_axis
|
|
42
|
+
bind:display
|
|
43
|
+
{...rest}
|
|
44
|
+
>
|
|
45
|
+
{@render children?.({ orientation, mode, x_axis, x2_axis, y_axis, y2_axis, display })}
|
|
46
|
+
<SettingsSection
|
|
47
|
+
title="Layout"
|
|
48
|
+
current_values={{ orientation, mode }}
|
|
49
|
+
style="display: flex; gap: 2ex"
|
|
50
|
+
>
|
|
51
|
+
<label style="flex: 1">
|
|
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|
+
Orientation:
|
|
53
|
+
<select bind:value={orientation} id="{uid}-orientation">
|
|
54
|
+
<option value="vertical">Vertical</option>
|
|
55
|
+
<option value="horizontal">Horizontal</option>
|
|
56
|
+
</select>
|
|
57
|
+
</label>
|
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58
|
+
<label style="flex: 1">
|
|
59
|
+
Mode:
|
|
60
|
+
<select bind:value={mode} id="{uid}-mode">
|
|
61
|
+
<option value="overlay">Overlay</option>
|
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62
|
+
<option value="stacked">Stacked</option>
|
|
63
|
+
<option value="grouped">Grouped (Side-by-Side)</option>
|
|
64
|
+
</select>
|
|
65
|
+
</label>
|
|
66
|
+
</SettingsSection>
|
|
67
|
+
</PlotControls>
|
|
@@ -0,0 +1,18 @@
|
|
|
1
|
+
import type { BarMode, PlotConfig } from '..';
|
|
2
|
+
import type { Orientation, PlotControlsProps } from '../core/types';
|
|
3
|
+
import type { Snippet } from 'svelte';
|
|
4
|
+
type $$ComponentProps = Omit<PlotControlsProps, `children` | `post_children`> & {
|
|
5
|
+
orientation?: Orientation;
|
|
6
|
+
mode?: BarMode;
|
|
7
|
+
show_controls?: boolean;
|
|
8
|
+
controls_open?: boolean;
|
|
9
|
+
children?: Snippet<[
|
|
10
|
+
{
|
|
11
|
+
orientation: Orientation;
|
|
12
|
+
mode: BarMode;
|
|
13
|
+
} & Required<PlotConfig>
|
|
14
|
+
]>;
|
|
15
|
+
};
|
|
16
|
+
declare const BarPlotControls: import("svelte").Component<$$ComponentProps, {}, "orientation" | "display" | "mode" | "show_controls" | "controls_open" | "x_axis" | "y_axis" | "x2_axis" | "y2_axis">;
|
|
17
|
+
type BarPlotControls = ReturnType<typeof BarPlotControls>;
|
|
18
|
+
export default BarPlotControls;
|
|
@@ -0,0 +1,293 @@
|
|
|
1
|
+
<script lang="ts">
|
|
2
|
+
import { format_num, format_value } from '../../labels'
|
|
3
|
+
import type { BarHandlerProps, BarSeries, TickConfig } from '..'
|
|
4
|
+
import { BarPlot } from '..'
|
|
5
|
+
import type { CrystalSystem } from '../../symmetry'
|
|
6
|
+
import * as symmetry from '../../symmetry'
|
|
7
|
+
import * as spg from '../../symmetry/spacegroups'
|
|
8
|
+
import type { ComponentProps } from 'svelte'
|
|
9
|
+
import { SvelteMap } from 'svelte/reactivity'
|
|
10
|
+
|
|
11
|
+
// Merge tick config with default rotation, preserving user overrides
|
|
12
|
+
const with_rotation = (
|
|
13
|
+
tick: TickConfig | undefined,
|
|
14
|
+
default_rot: number,
|
|
15
|
+
): TickConfig => ({
|
|
16
|
+
...tick,
|
|
17
|
+
label: { ...tick?.label, rotation: tick?.label?.rotation ?? default_rot },
|
|
18
|
+
})
|
|
19
|
+
|
|
20
|
+
const MAX_SPACEGROUP = 230
|
|
21
|
+
let {
|
|
22
|
+
data,
|
|
23
|
+
show_counts = true,
|
|
24
|
+
show_legend = false,
|
|
25
|
+
orientation = `vertical`,
|
|
26
|
+
x_axis = {},
|
|
27
|
+
y_axis = {},
|
|
28
|
+
...rest
|
|
29
|
+
}: ComponentProps<typeof BarPlot> & {
|
|
30
|
+
data: (number | string)[]
|
|
31
|
+
show_counts?: boolean
|
|
32
|
+
} = $props()
|
|
33
|
+
|
|
34
|
+
// Normalize input data to space group numbers
|
|
35
|
+
const normalized_data = $derived(
|
|
36
|
+
data.map(spg.normalize_spacegroup).filter((sg): sg is number => sg !== null),
|
|
37
|
+
)
|
|
38
|
+
|
|
39
|
+
// Compute histogram of space group numbers
|
|
40
|
+
const histogram = $derived.by(() => {
|
|
41
|
+
const hist = new SvelteMap<number, number>()
|
|
42
|
+
|
|
43
|
+
// Count occurrences
|
|
44
|
+
for (const sg of normalized_data) {
|
|
45
|
+
hist.set(sg, (hist.get(sg) ?? 0) + 1)
|
|
46
|
+
}
|
|
47
|
+
|
|
48
|
+
return hist
|
|
49
|
+
})
|
|
50
|
+
|
|
51
|
+
// Group counts by crystal system
|
|
52
|
+
const crystal_system_stats = $derived.by(() => {
|
|
53
|
+
const stats = new SvelteMap<
|
|
54
|
+
CrystalSystem,
|
|
55
|
+
{ count: number; spacegroups: number[] }
|
|
56
|
+
>()
|
|
57
|
+
|
|
58
|
+
for (const system of symmetry.CRYSTAL_SYSTEMS) {
|
|
59
|
+
stats.set(system, { count: 0, spacegroups: [] })
|
|
60
|
+
}
|
|
61
|
+
|
|
62
|
+
for (const [sg, count] of histogram) {
|
|
63
|
+
const system = spg.spacegroup_to_crystal_sys(sg)
|
|
64
|
+
if (!system) continue
|
|
65
|
+
const stat = stats.get(system)
|
|
66
|
+
if (!stat) continue
|
|
67
|
+
stat.count += count
|
|
68
|
+
stat.spacegroups.push(sg)
|
|
69
|
+
}
|
|
70
|
+
|
|
71
|
+
return stats
|
|
72
|
+
})
|
|
73
|
+
|
|
74
|
+
// Create sorted list of space groups for x-axis
|
|
75
|
+
const sorted_spacegroups = $derived(
|
|
76
|
+
Array.from(histogram.keys()).sort((a, b) => a - b),
|
|
77
|
+
)
|
|
78
|
+
|
|
79
|
+
// Smart tick selection: thin out ticks for dense data
|
|
80
|
+
const x_axis_ticks = $derived.by(() => {
|
|
81
|
+
const non_zero_count = sorted_spacegroups.filter(
|
|
82
|
+
(sg) => (histogram.get(sg) ?? 0) > 0,
|
|
83
|
+
).length
|
|
84
|
+
|
|
85
|
+
// If data is dense (>40 space groups with data), show only multiples of 5
|
|
86
|
+
return non_zero_count > 40
|
|
87
|
+
? sorted_spacegroups.filter((sg) => sg % 5 === 0)
|
|
88
|
+
: sorted_spacegroups
|
|
89
|
+
})
|
|
90
|
+
|
|
91
|
+
// Build BarSeries - one series per crystal system for proper coloring
|
|
92
|
+
const bar_series = $derived.by<BarSeries[]>(() => {
|
|
93
|
+
const series_by_system = new SvelteMap<
|
|
94
|
+
CrystalSystem,
|
|
95
|
+
{ x: number[]; y: number[] }
|
|
96
|
+
>()
|
|
97
|
+
|
|
98
|
+
// Group data by crystal system
|
|
99
|
+
for (const sg of sorted_spacegroups) {
|
|
100
|
+
const system = spg.spacegroup_to_crystal_sys(sg)
|
|
101
|
+
if (system) {
|
|
102
|
+
let series = series_by_system.get(system)
|
|
103
|
+
if (!series) {
|
|
104
|
+
series = { x: [], y: [] }
|
|
105
|
+
series_by_system.set(system, series)
|
|
106
|
+
}
|
|
107
|
+
series.x.push(sg)
|
|
108
|
+
series.y.push(histogram.get(sg) ?? 0)
|
|
109
|
+
}
|
|
110
|
+
}
|
|
111
|
+
|
|
112
|
+
// Convert to BarSeries array, maintaining order of crystal systems
|
|
113
|
+
const result: BarSeries[] = []
|
|
114
|
+
for (const system of symmetry.CRYSTAL_SYSTEMS) {
|
|
115
|
+
const system_data = series_by_system.get(system)
|
|
116
|
+
if (system_data) {
|
|
117
|
+
const { x, y } = system_data
|
|
118
|
+
const color = symmetry.CRYSTAL_SYSTEM_COLORS[system]
|
|
119
|
+
result.push({ x, y, color, label: system, bar_width: 0.9, visible: true })
|
|
120
|
+
}
|
|
121
|
+
}
|
|
122
|
+
return result
|
|
123
|
+
})
|
|
124
|
+
|
|
125
|
+
// Always show full space group range (1-230)
|
|
126
|
+
const x_range: [number, number] = [0.5, MAX_SPACEGROUP + 0.5]
|
|
127
|
+
|
|
128
|
+
// Calculate crystal system region boundaries using full theoretical ranges
|
|
129
|
+
const crystal_system_regions = $derived.by(() => {
|
|
130
|
+
const [range_min, range_max] = x_range
|
|
131
|
+
|
|
132
|
+
return symmetry.CRYSTAL_SYSTEMS.map((system) => {
|
|
133
|
+
const [sg_start, sg_end] = symmetry.CRYSTAL_SYSTEM_RANGES[system]
|
|
134
|
+
const stats = crystal_system_stats.get(system)
|
|
135
|
+
const count = stats?.count ?? 0
|
|
136
|
+
const color = symmetry.CRYSTAL_SYSTEM_COLORS[system]
|
|
137
|
+
return { system, sg_start, sg_end, count, color }
|
|
138
|
+
}).filter(
|
|
139
|
+
(region) => region.sg_end >= range_min && region.sg_start <= range_max, // Only visible systems
|
|
140
|
+
)
|
|
141
|
+
})
|
|
142
|
+
|
|
143
|
+
const total_count = $derived(normalized_data.length)
|
|
144
|
+
|
|
145
|
+
// Build axis configurations based on orientation
|
|
146
|
+
const x_axis_config = $derived(
|
|
147
|
+
orientation === `horizontal` ? { ...x_axis, label: x_axis.label ?? `Counts` } : {
|
|
148
|
+
...x_axis,
|
|
149
|
+
label: x_axis.label ?? `International Spacegroup Number`,
|
|
150
|
+
range: x_range,
|
|
151
|
+
ticks: x_axis_ticks,
|
|
152
|
+
tick: with_rotation(x_axis.tick, 90), // Rotate ticks 90° to avoid overlap
|
|
153
|
+
label_shift: { x: 0, y: 20, ...x_axis.label_shift }, // Move label down for rotated ticks
|
|
154
|
+
},
|
|
155
|
+
)
|
|
156
|
+
|
|
157
|
+
const y_axis_config = $derived(
|
|
158
|
+
orientation === `horizontal`
|
|
159
|
+
? {
|
|
160
|
+
...y_axis,
|
|
161
|
+
label: y_axis.label ?? `International Spacegroup Number`,
|
|
162
|
+
range: x_range,
|
|
163
|
+
ticks: x_axis_ticks,
|
|
164
|
+
tick: with_rotation(y_axis.tick, 0),
|
|
165
|
+
}
|
|
166
|
+
: { ...y_axis, label: y_axis.label ?? `Counts` },
|
|
167
|
+
)
|
|
168
|
+
</script>
|
|
169
|
+
|
|
170
|
+
{#snippet tooltip(info: BarHandlerProps)}
|
|
171
|
+
{@const { x: sg, y: count } = info}
|
|
172
|
+
{@const system = spg.spacegroup_to_crystal_sys(sg)}
|
|
173
|
+
Space Group: {format_value(sg, `.0f`)} ({spg.SPACEGROUP_NUM_TO_SYMBOL[sg]})<br />
|
|
174
|
+
{#if system}
|
|
175
|
+
Crystal System: {system}<br />
|
|
176
|
+
{/if}
|
|
177
|
+
Count: {format_value(count, `.0f`)}
|
|
178
|
+
{/snippet}
|
|
179
|
+
|
|
180
|
+
{#snippet user_content({ width, height, x_scale_fn, y_scale_fn, pad }: {
|
|
181
|
+
width: number
|
|
182
|
+
height: number
|
|
183
|
+
x_scale_fn: (x: number) => number
|
|
184
|
+
y_scale_fn: (y: number) => number
|
|
185
|
+
pad: { t: number; b: number; l: number; r: number }
|
|
186
|
+
})}
|
|
187
|
+
<g class="crystal-system-overlays" pointer-events="none">
|
|
188
|
+
{#each crystal_system_regions as region (region.system)}
|
|
189
|
+
{#if orientation === `vertical`}
|
|
190
|
+
{@const x_start = x_scale_fn(region.sg_start - 0.5)}
|
|
191
|
+
{@const x_end = x_scale_fn(region.sg_end + 0.5)}
|
|
192
|
+
{@const x_center = (x_start + x_end) / 2}
|
|
193
|
+
{@const rect_width = x_end - x_start}
|
|
194
|
+
<!-- Background colored rectangle (vertical mode) -->
|
|
195
|
+
<rect
|
|
196
|
+
x={x_start}
|
|
197
|
+
y={pad.t}
|
|
198
|
+
width={rect_width}
|
|
199
|
+
height={height - pad.t - pad.b}
|
|
200
|
+
fill={region.color}
|
|
201
|
+
opacity="0.15"
|
|
202
|
+
stroke={region.color}
|
|
203
|
+
stroke-width="1"
|
|
204
|
+
stroke-opacity="0.3"
|
|
205
|
+
/>
|
|
206
|
+
<!-- Crystal system label (rotated 90 degrees) at top edge -->
|
|
207
|
+
<text
|
|
208
|
+
x={x_center}
|
|
209
|
+
y={pad.t + 15}
|
|
210
|
+
text-anchor="start"
|
|
211
|
+
font-size="14"
|
|
212
|
+
fill="var(--text-color, black)"
|
|
213
|
+
opacity="0.6"
|
|
214
|
+
transform="rotate(90, {x_center}, {pad.t + 15})"
|
|
215
|
+
>
|
|
216
|
+
{region.system}
|
|
217
|
+
</text>
|
|
218
|
+
<!-- Count annotation at top -->
|
|
219
|
+
{#if show_counts && total_count > 0}
|
|
220
|
+
{@const y_offset = region.system === `triclinic` ? -20 : -5}
|
|
221
|
+
<text
|
|
222
|
+
x={x_center}
|
|
223
|
+
y={pad.t + y_offset}
|
|
224
|
+
text-anchor="middle"
|
|
225
|
+
font-size="12"
|
|
226
|
+
fill="var(--text-color, black)"
|
|
227
|
+
>
|
|
228
|
+
{format_num(region.count, `,~`)} ({
|
|
229
|
+
format_num(region.count / total_count, `.1~%`)
|
|
230
|
+
})
|
|
231
|
+
</text>
|
|
232
|
+
{/if}
|
|
233
|
+
{:else}
|
|
234
|
+
{@const y_start = y_scale_fn(region.sg_end + 0.5)}
|
|
235
|
+
{@const y_end = y_scale_fn(region.sg_start - 0.5)}
|
|
236
|
+
{@const y_center = (y_start + y_end) / 2}
|
|
237
|
+
{@const rect_height = y_end - y_start}
|
|
238
|
+
<!-- Background colored rectangle (horizontal mode) -->
|
|
239
|
+
<rect
|
|
240
|
+
x={pad.l}
|
|
241
|
+
y={y_start}
|
|
242
|
+
width={width - pad.l - pad.r}
|
|
243
|
+
height={rect_height}
|
|
244
|
+
fill={region.color}
|
|
245
|
+
opacity="0.15"
|
|
246
|
+
stroke={region.color}
|
|
247
|
+
stroke-width="1"
|
|
248
|
+
stroke-opacity="0.3"
|
|
249
|
+
/>
|
|
250
|
+
<!-- Crystal system label (horizontal) at left edge -->
|
|
251
|
+
<text
|
|
252
|
+
x={width - pad.r - 8}
|
|
253
|
+
y={y_center}
|
|
254
|
+
text-anchor="end"
|
|
255
|
+
dominant-baseline="central"
|
|
256
|
+
font-size="14"
|
|
257
|
+
fill="var(--text-color, black)"
|
|
258
|
+
opacity="0.6"
|
|
259
|
+
>
|
|
260
|
+
{region.system}
|
|
261
|
+
</text>
|
|
262
|
+
<!-- Count annotation at right -->
|
|
263
|
+
{#if show_counts && total_count > 0}
|
|
264
|
+
<text
|
|
265
|
+
x={width - pad.r + 5}
|
|
266
|
+
y={y_center}
|
|
267
|
+
text-anchor="start"
|
|
268
|
+
dominant-baseline="central"
|
|
269
|
+
font-size="12"
|
|
270
|
+
fill="var(--text-color, black)"
|
|
271
|
+
>
|
|
272
|
+
{format_num(region.count, `,~`)} ({
|
|
273
|
+
format_num(region.count / total_count, `.1~%`)
|
|
274
|
+
})
|
|
275
|
+
</text>
|
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276
|
+
{/if}
|
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277
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+
{/if}
|
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278
|
+
{/each}
|
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279
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+
</g>
|
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280
|
+
{/snippet}
|
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281
|
+
|
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282
|
+
<BarPlot
|
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283
|
+
{...rest}
|
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284
|
+
series={bar_series}
|
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285
|
+
{orientation}
|
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|
+
mode="overlay"
|
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287
|
+
x_axis={x_axis_config}
|
|
288
|
+
y_axis={y_axis_config}
|
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289
|
+
{show_legend}
|
|
290
|
+
show_controls={false}
|
|
291
|
+
{tooltip}
|
|
292
|
+
{user_content}
|
|
293
|
+
/>
|
|
@@ -0,0 +1,9 @@
|
|
|
1
|
+
import { BarPlot } from '..';
|
|
2
|
+
import type { ComponentProps } from 'svelte';
|
|
3
|
+
type $$ComponentProps = ComponentProps<typeof BarPlot> & {
|
|
4
|
+
data: (number | string)[];
|
|
5
|
+
show_counts?: boolean;
|
|
6
|
+
};
|
|
7
|
+
declare const SpacegroupBarPlot: import("svelte").Component<$$ComponentProps, {}, "">;
|
|
8
|
+
type SpacegroupBarPlot = ReturnType<typeof SpacegroupBarPlot>;
|
|
9
|
+
export default SpacegroupBarPlot;
|
|
@@ -0,0 +1,40 @@
|
|
|
1
|
+
import type { BarMode, BarSeries, Orientation, ScaleType } from '../core/types';
|
|
2
|
+
export type NumericBarSeries<Metadata = Record<string, unknown>> = Omit<BarSeries<Metadata>, `x`> & {
|
|
3
|
+
x: readonly number[];
|
|
4
|
+
};
|
|
5
|
+
export declare function normalize_categorical<Metadata = Record<string, unknown>>(series: readonly BarSeries<Metadata>[], explicit_categories?: readonly string[]): {
|
|
6
|
+
category_list: string[];
|
|
7
|
+
internal_series: NumericBarSeries<Metadata>[];
|
|
8
|
+
};
|
|
9
|
+
export interface BarAutoRangeOpts<Metadata = Record<string, unknown>> {
|
|
10
|
+
visible_series: readonly NumericBarSeries<Metadata>[];
|
|
11
|
+
y1_series: readonly NumericBarSeries<Metadata>[];
|
|
12
|
+
y2_series: readonly NumericBarSeries<Metadata>[];
|
|
13
|
+
x2_series: readonly NumericBarSeries<Metadata>[];
|
|
14
|
+
mode: BarMode;
|
|
15
|
+
orientation: Orientation;
|
|
16
|
+
range_padding: number;
|
|
17
|
+
category_count: number;
|
|
18
|
+
x_range: [number | null, number | null];
|
|
19
|
+
x_scale_type: ScaleType;
|
|
20
|
+
x_is_time: boolean;
|
|
21
|
+
x2_range: [number | null, number | null];
|
|
22
|
+
x2_scale_type: ScaleType;
|
|
23
|
+
x2_is_time: boolean;
|
|
24
|
+
y_range: [number | null, number | null];
|
|
25
|
+
y_scale_type: ScaleType;
|
|
26
|
+
y2_range: [number | null, number | null];
|
|
27
|
+
y2_scale_type: ScaleType;
|
|
28
|
+
}
|
|
29
|
+
export declare function compute_bar_auto_ranges<Metadata = Record<string, unknown>>(opts: BarAutoRangeOpts<Metadata>): {
|
|
30
|
+
x: number[];
|
|
31
|
+
x2: number[];
|
|
32
|
+
y: number[];
|
|
33
|
+
y2: number[];
|
|
34
|
+
};
|
|
35
|
+
export declare function compute_stacked_offsets<Metadata = Record<string, unknown>>(internal_series: readonly NumericBarSeries<Metadata>[], mode: BarMode): number[][];
|
|
36
|
+
export interface GroupInfo {
|
|
37
|
+
bar_series_count: number;
|
|
38
|
+
bar_series_indices: number[];
|
|
39
|
+
}
|
|
40
|
+
export declare function compute_group_info<Metadata = Record<string, unknown>>(internal_series: readonly NumericBarSeries<Metadata>[], mode: BarMode): GroupInfo;
|
|
@@ -0,0 +1,154 @@
|
|
|
1
|
+
// Pure data-shaping logic for BarPlot: categorical x-value normalization,
|
|
2
|
+
// auto-range computation (incl. stacked totals + zero-clamping), stacked-bar
|
|
3
|
+
// offsets and grouped-bar layout info. Extracted from BarPlot.svelte so the
|
|
4
|
+
// math is unit-testable without mounting the component.
|
|
5
|
+
import { get_nice_data_range } from '../core/scales';
|
|
6
|
+
import { get_scale_type_name } from '../core/types';
|
|
7
|
+
// Map string x values (categories) to integer indices shared across all series.
|
|
8
|
+
// Numeric-only input is passed through unchanged (same array identity).
|
|
9
|
+
export function normalize_categorical(series, explicit_categories) {
|
|
10
|
+
const is_categorical = series.some((srs) => srs.x.some((val) => typeof val === `string`));
|
|
11
|
+
const category_list = !is_categorical
|
|
12
|
+
? []
|
|
13
|
+
: explicit_categories?.length
|
|
14
|
+
? [...explicit_categories]
|
|
15
|
+
: [...new Set(series.flatMap((srs) => srs.x.map(String)))];
|
|
16
|
+
if (category_list.length === 0) {
|
|
17
|
+
// safe: when no categories were found, all x values are numeric
|
|
18
|
+
const internal_series = series;
|
|
19
|
+
return { category_list, internal_series };
|
|
20
|
+
}
|
|
21
|
+
const category_indices = category_list.map((_, idx) => idx);
|
|
22
|
+
const internal_series = series.map((srs) => {
|
|
23
|
+
const orig_map = new Map(srs.x.map((val, idx) => [String(val), idx]));
|
|
24
|
+
if (orig_map.size < srs.x.length) {
|
|
25
|
+
console.warn(`BarPlot: series "${srs.label ?? `?`}" has duplicate x values — last occurrence wins`);
|
|
26
|
+
}
|
|
27
|
+
// Resolve original index for each category (undefined if series lacks it)
|
|
28
|
+
const orig_indices = category_list.map((cat) => orig_map.get(cat));
|
|
29
|
+
const remap = (arr, fallback) => orig_indices.map((oi) => (oi != null ? (arr?.[oi] ?? fallback) : fallback));
|
|
30
|
+
// Reorder a per-point prop that may be a single value (broadcast, left as-is) or an
|
|
31
|
+
// array (must follow the category reordering, else point styles misalign with bars)
|
|
32
|
+
const remap_per_point = (prop) => Array.isArray(prop)
|
|
33
|
+
? orig_indices.map((oi) => (oi != null ? prop[oi] : undefined))
|
|
34
|
+
: prop;
|
|
35
|
+
const bw_arr = Array.isArray(srs.bar_width) ? srs.bar_width : null;
|
|
36
|
+
const meta_arr = Array.isArray(srs.metadata) ? srs.metadata : null;
|
|
37
|
+
return {
|
|
38
|
+
...srs,
|
|
39
|
+
x: category_indices,
|
|
40
|
+
y: remap(srs.y, srs.render_mode === `line` ? NaN : 0),
|
|
41
|
+
labels: remap(srs.labels, null),
|
|
42
|
+
metadata: orig_indices.map((oi) => oi != null ? (meta_arr ? meta_arr[oi] : srs.metadata) : undefined),
|
|
43
|
+
point_style: remap_per_point(srs.point_style),
|
|
44
|
+
point_hover: remap_per_point(srs.point_hover),
|
|
45
|
+
point_label: remap_per_point(srs.point_label),
|
|
46
|
+
point_offset: remap_per_point(srs.point_offset),
|
|
47
|
+
...(bw_arr ? { bar_width: remap(bw_arr, 0.5) } : {}),
|
|
48
|
+
...(srs.color_values ? { color_values: remap(srs.color_values, null) } : {}),
|
|
49
|
+
...(srs.size_values ? { size_values: remap(srs.size_values, null) } : {}),
|
|
50
|
+
};
|
|
51
|
+
});
|
|
52
|
+
return { category_list, internal_series };
|
|
53
|
+
}
|
|
54
|
+
// Compute data-driven axis ranges for all four axes. In stacked mode the value
|
|
55
|
+
// range covers per-x stacked totals (positive and negative stacks separately);
|
|
56
|
+
// for linear/arcsinh scales the value axis is clamped to include 0 when all
|
|
57
|
+
// values share one sign and no explicit range is set.
|
|
58
|
+
export function compute_bar_auto_ranges(opts) {
|
|
59
|
+
const { visible_series, mode, orientation, range_padding, category_count } = opts;
|
|
60
|
+
const calc_y_range = (series_list, y_limit, scale_type) => {
|
|
61
|
+
let points = series_list.flatMap((srs) => srs.x.map((x_val, idx) => ({ x: x_val, y: srs.y[idx] })));
|
|
62
|
+
// In stacked mode, calculate stacked totals for accurate range (only for bars on the same axis)
|
|
63
|
+
if (mode === `stacked`) {
|
|
64
|
+
const stacked_totals = new Map();
|
|
65
|
+
// Only include visible bar series (not lines) in stacking
|
|
66
|
+
series_list
|
|
67
|
+
.filter((srs) => srs.render_mode !== `line`)
|
|
68
|
+
.forEach((srs) => srs.x.forEach((x_val, idx) => {
|
|
69
|
+
const y_val = srs.y[idx] ?? 0;
|
|
70
|
+
const totals = stacked_totals.get(x_val) ?? { pos: 0, neg: 0 };
|
|
71
|
+
if (y_val >= 0)
|
|
72
|
+
totals.pos += y_val;
|
|
73
|
+
else
|
|
74
|
+
totals.neg += y_val;
|
|
75
|
+
stacked_totals.set(x_val, totals);
|
|
76
|
+
}));
|
|
77
|
+
// Replace points with stacked totals + line series (which don't stack)
|
|
78
|
+
points = [
|
|
79
|
+
...Array.from(stacked_totals).flatMap(([x_val, { pos, neg }]) => [
|
|
80
|
+
...(pos > 0 ? [{ x: x_val, y: pos }] : []),
|
|
81
|
+
...(neg < 0 ? [{ x: x_val, y: neg }] : []),
|
|
82
|
+
]),
|
|
83
|
+
...series_list
|
|
84
|
+
.filter((srs) => srs.render_mode === `line`)
|
|
85
|
+
.flatMap((srs) => srs.x.map((x_val, idx) => ({ x: x_val, y: srs.y[idx] }))),
|
|
86
|
+
];
|
|
87
|
+
}
|
|
88
|
+
if (points.length === 0)
|
|
89
|
+
return [0, 1];
|
|
90
|
+
let computed_y_range = get_nice_data_range(points, (pt) => pt.y, y_limit, scale_type, range_padding, false);
|
|
91
|
+
// Bar value axes include 0 when all values share one sign - unless an explicit
|
|
92
|
+
// range is set or the scale is log (where 0 is invalid)
|
|
93
|
+
const type_name = get_scale_type_name(scale_type);
|
|
94
|
+
if ((type_name === `linear` || type_name === `arcsinh`) &&
|
|
95
|
+
y_limit[0] == null &&
|
|
96
|
+
y_limit[1] == null) {
|
|
97
|
+
const has_negative = points.some((pt) => pt.y < 0);
|
|
98
|
+
const has_positive = points.some((pt) => pt.y > 0);
|
|
99
|
+
if (has_positive && !has_negative)
|
|
100
|
+
computed_y_range = [0, computed_y_range[1]];
|
|
101
|
+
else if (has_negative && !has_positive)
|
|
102
|
+
computed_y_range = [computed_y_range[0], 0];
|
|
103
|
+
}
|
|
104
|
+
return computed_y_range;
|
|
105
|
+
};
|
|
106
|
+
const calc_x_range = (series_list, limit, scale_type, is_time) => {
|
|
107
|
+
const points = series_list.flatMap((srs) => srs.x.map((x_val) => ({ x: x_val, y: 0 })));
|
|
108
|
+
if (points.length === 0)
|
|
109
|
+
return [0, 1];
|
|
110
|
+
return get_nice_data_range(points, (pt) => pt.x, limit, scale_type, range_padding, is_time);
|
|
111
|
+
};
|
|
112
|
+
// Categorical x axes use a fixed range centered on integer indices
|
|
113
|
+
const x_auto_range = category_count > 0
|
|
114
|
+
? [-0.5, category_count - 0.5]
|
|
115
|
+
: calc_x_range(visible_series.filter((srs) => (srs.x_axis ?? `x1`) === `x1`), opts.x_range, opts.x_scale_type, opts.x_is_time);
|
|
116
|
+
const x2_auto_range = calc_x_range(opts.x2_series, opts.x2_range, opts.x2_scale_type, opts.x2_is_time);
|
|
117
|
+
const y1_range = calc_y_range(opts.y1_series, opts.y_range, opts.y_scale_type);
|
|
118
|
+
const y2_auto_range = calc_y_range(opts.y2_series, opts.y2_range, opts.y2_scale_type);
|
|
119
|
+
// Map data ranges to axis ranges depending on orientation
|
|
120
|
+
return orientation === `horizontal`
|
|
121
|
+
? { x: y1_range, x2: x2_auto_range, y: x_auto_range, y2: y2_auto_range }
|
|
122
|
+
: { x: x_auto_range, x2: x2_auto_range, y: y1_range, y2: y2_auto_range };
|
|
123
|
+
}
|
|
124
|
+
// Stack offsets indexed by [original series idx][bar idx] (only bar series in
|
|
125
|
+
// stacked mode contribute; hidden and line series get all-zero rows).
|
|
126
|
+
export function compute_stacked_offsets(internal_series, mode) {
|
|
127
|
+
if (mode !== `stacked`)
|
|
128
|
+
return [];
|
|
129
|
+
const offsets = internal_series.map((srs) => Array.from(srs.x, () => 0));
|
|
130
|
+
// Cumulative totals keyed by axis/sign/x value so series with misaligned x grids
|
|
131
|
+
// stack on the correct baseline (matching stacked totals in compute_bar_auto_ranges)
|
|
132
|
+
const acc = new Map();
|
|
133
|
+
internal_series.forEach((srs, series_idx) => {
|
|
134
|
+
if (!(srs?.visible ?? true) || srs.render_mode === `line`)
|
|
135
|
+
return;
|
|
136
|
+
srs.x.forEach((x_val, bar_idx) => {
|
|
137
|
+
const y_val = srs.y[bar_idx] ?? 0;
|
|
138
|
+
const key = `${srs.y_axis === `y2` ? `y2` : `y1`}:${y_val >= 0 ? `+` : `-`}:${x_val}`;
|
|
139
|
+
offsets[series_idx][bar_idx] = acc.get(key) ?? 0;
|
|
140
|
+
acc.set(key, (acc.get(key) ?? 0) + y_val);
|
|
141
|
+
});
|
|
142
|
+
});
|
|
143
|
+
return offsets;
|
|
144
|
+
}
|
|
145
|
+
// Group positions for grouped mode (side-by-side bars). Indices are original
|
|
146
|
+
// series indices so hidden/line series don't shift visible bars' slots.
|
|
147
|
+
export function compute_group_info(internal_series, mode) {
|
|
148
|
+
if (mode !== `grouped`)
|
|
149
|
+
return { bar_series_count: 0, bar_series_indices: [] };
|
|
150
|
+
const bar_series_indices = internal_series
|
|
151
|
+
.map((srs, idx) => ((srs?.visible ?? true) && srs.render_mode !== `line` ? idx : -1))
|
|
152
|
+
.filter((idx) => idx >= 0);
|
|
153
|
+
return { bar_series_count: bar_series_indices.length, bar_series_indices };
|
|
154
|
+
}
|