matterviz 0.3.5 → 0.3.7
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/MillerIndexInput.svelte +5 -5
- package/dist/api/optimade.js +3 -3
- package/dist/brillouin/BrillouinZone.svelte +5 -2
- package/dist/brillouin/BrillouinZone.svelte.d.ts +1 -1
- package/dist/brillouin/BrillouinZoneExportPane.svelte +1 -3
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +1 -1
- package/dist/brillouin/BrillouinZoneScene.svelte +5 -5
- package/dist/brillouin/compute.js +21 -21
- package/dist/brillouin/index.d.ts +1 -1
- package/dist/brillouin/index.js +0 -1
- package/dist/brillouin/types.d.ts +8 -13
- package/dist/chempot-diagram/ChemPotDiagram.svelte +3 -3
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +3 -4
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +33 -34
- package/dist/chempot-diagram/compute.js +1 -7
- package/dist/chempot-diagram/temperature.d.ts +1 -1
- package/dist/chempot-diagram/temperature.js +1 -3
- package/dist/chempot-diagram/types.d.ts +4 -9
- package/dist/colors/index.js +5 -5
- package/dist/composition/Composition.svelte +2 -1
- package/dist/composition/Formula.svelte +7 -4
- package/dist/composition/FormulaFilter.svelte +1 -3
- package/dist/composition/format.js +4 -4
- package/dist/composition/parse.d.ts +2 -1
- package/dist/composition/parse.js +61 -46
- package/dist/convex-hull/ConvexHull2D.svelte +62 -51
- package/dist/convex-hull/ConvexHull3D.svelte +101 -90
- package/dist/convex-hull/ConvexHull4D.svelte +70 -58
- package/dist/convex-hull/ConvexHullControls.svelte +24 -35
- package/dist/convex-hull/ConvexHullInfoPane.svelte +8 -5
- package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +2 -0
- package/dist/convex-hull/ConvexHullStats.svelte +9 -2
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +2 -0
- package/dist/convex-hull/GasPressureControls.svelte +7 -7
- package/dist/convex-hull/StructurePopup.svelte +65 -30
- package/dist/convex-hull/StructurePopup.svelte.d.ts +6 -6
- package/dist/convex-hull/TemperatureSlider.svelte +8 -5
- package/dist/convex-hull/barycentric-coords.d.ts +2 -2
- package/dist/convex-hull/barycentric-coords.js +2 -2
- package/dist/convex-hull/gas-thermodynamics.js +2 -4
- package/dist/convex-hull/helpers.d.ts +13 -2
- package/dist/convex-hull/helpers.js +37 -16
- package/dist/convex-hull/index.d.ts +1 -0
- package/dist/convex-hull/index.js +1 -0
- package/dist/convex-hull/thermodynamics.d.ts +2 -1
- package/dist/convex-hull/thermodynamics.js +7 -7
- package/dist/convex-hull/types.d.ts +15 -15
- package/dist/effects.svelte.d.ts +12 -0
- package/dist/effects.svelte.js +37 -0
- package/dist/element/BohrAtom.svelte +4 -4
- package/dist/element/data.json.gz.d.ts +3 -1
- package/dist/element/index.d.ts +1 -1
- package/dist/element/index.js +0 -1
- package/dist/fermi-surface/FermiSurface.svelte +4 -4
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceControls.svelte +15 -19
- package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceScene.svelte +8 -6
- package/dist/fermi-surface/compute.js +2 -2
- package/dist/fermi-surface/export.js +13 -26
- package/dist/fermi-surface/parse.js +8 -12
- package/dist/fermi-surface/types.d.ts +2 -5
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +21 -3
- package/dist/heatmap-matrix/index.js +6 -6
- package/dist/io/decompress.d.ts +2 -1
- package/dist/io/decompress.js +1 -1
- package/dist/io/export.js +1 -1
- package/dist/io/index.d.ts +1 -1
- package/dist/io/index.js +0 -1
- package/dist/io/url-drop.js +7 -1
- package/dist/isosurface/IsosurfaceControls.svelte +11 -25
- package/dist/isosurface/slice.js +1 -1
- package/dist/isosurface/types.js +12 -12
- package/dist/labels.d.ts +1 -1
- package/dist/labels.js +14 -11
- package/dist/layout/InfoTag.svelte +6 -4
- package/dist/layout/PropertyFilter.svelte +4 -2
- package/dist/layout/json-tree/JsonTree.svelte +22 -14
- package/dist/layout/json-tree/JsonValue.svelte +2 -2
- package/dist/layout/json-tree/types.d.ts +3 -2
- package/dist/layout/json-tree/types.js +0 -1
- package/dist/layout/json-tree/utils.d.ts +4 -4
- package/dist/layout/json-tree/utils.js +12 -20
- package/dist/marching-cubes.js +13 -15
- package/dist/math.d.ts +11 -1
- package/dist/math.js +15 -6
- package/dist/overlays/DragControlTab.svelte +98 -0
- package/dist/overlays/DragControlTab.svelte.d.ts +8 -0
- package/dist/overlays/DraggablePane.svelte +7 -84
- package/dist/overlays/index.d.ts +1 -0
- package/dist/overlays/index.js +1 -0
- package/dist/periodic-table/PeriodicTable.svelte +11 -11
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +4 -2
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +1 -1
- package/dist/phase-diagram/PhaseDiagramControls.svelte +4 -9
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +1 -1
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +2 -10
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +2 -3
- package/dist/phase-diagram/TdbInfoPanel.svelte +3 -3
- package/dist/phase-diagram/build-diagram.js +11 -18
- package/dist/phase-diagram/diagram-input.d.ts +5 -9
- package/dist/phase-diagram/index.d.ts +2 -2
- package/dist/phase-diagram/index.js +0 -2
- package/dist/phase-diagram/parse.d.ts +2 -2
- package/dist/phase-diagram/parse.js +6 -10
- package/dist/phase-diagram/svg-to-diagram.js +15 -15
- package/dist/phase-diagram/types.d.ts +5 -11
- package/dist/phase-diagram/utils.d.ts +2 -2
- package/dist/phase-diagram/utils.js +9 -11
- package/dist/plot/BarPlot.svelte +162 -314
- package/dist/plot/BarPlot.svelte.d.ts +5 -4
- package/dist/plot/BarPlotControls.svelte.d.ts +1 -1
- package/dist/plot/BinnedScatterPlot.svelte +1114 -0
- package/dist/plot/BinnedScatterPlot.svelte.d.ts +66 -0
- package/dist/plot/ColorBar.svelte +19 -17
- package/dist/plot/ColorBar.svelte.d.ts +1 -1
- package/dist/plot/FillArea.svelte +2 -4
- package/dist/plot/FillArea.svelte.d.ts +1 -1
- package/dist/plot/Histogram.svelte +167 -281
- package/dist/plot/Histogram.svelte.d.ts +1 -1
- package/dist/plot/HistogramControls.svelte.d.ts +1 -1
- package/dist/plot/InteractiveAxisLabel.svelte +5 -3
- package/dist/plot/InteractiveAxisLabel.svelte.d.ts +1 -1
- package/dist/plot/PlotAxis.svelte +169 -0
- package/dist/plot/PlotAxis.svelte.d.ts +24 -0
- package/dist/plot/PlotControls.svelte.d.ts +1 -1
- package/dist/plot/ReferenceLine3D.svelte +53 -51
- package/dist/plot/ReferencePlane.svelte +39 -42
- package/dist/plot/ScatterPlot.svelte +300 -367
- package/dist/plot/ScatterPlot.svelte.d.ts +8 -5
- package/dist/plot/ScatterPlot3D.svelte +33 -6
- package/dist/plot/ScatterPlot3D.svelte.d.ts +3 -2
- package/dist/plot/ScatterPlot3DControls.svelte +9 -9
- package/dist/plot/ScatterPlotControls.svelte +3 -4
- package/dist/plot/ScatterPoint.svelte +18 -27
- package/dist/plot/ScatterPoint.svelte.d.ts +4 -3
- package/dist/plot/Surface3D.svelte +4 -7
- package/dist/plot/ZeroLines.svelte +2 -1
- package/dist/plot/ZeroLines.svelte.d.ts +2 -1
- package/dist/plot/ZoomRect.svelte +2 -2
- package/dist/plot/ZoomRect.svelte.d.ts +3 -3
- package/dist/plot/adaptive-density.d.ts +69 -0
- package/dist/plot/adaptive-density.js +191 -0
- package/dist/plot/auto-place.d.ts +43 -0
- package/dist/plot/auto-place.js +122 -0
- package/dist/plot/axis-utils.js +3 -5
- package/dist/plot/binned-scatter-types.d.ts +59 -0
- package/dist/plot/binned-scatter-types.js +1 -0
- package/dist/plot/data-cleaning.js +1 -1
- package/dist/plot/data-transform.js +1 -1
- package/dist/plot/fill-utils.d.ts +4 -9
- package/dist/plot/fill-utils.js +29 -44
- package/dist/plot/index.d.ts +4 -0
- package/dist/plot/index.js +2 -0
- package/dist/plot/interactions.d.ts +4 -4
- package/dist/plot/interactions.js +4 -3
- package/dist/plot/layout.d.ts +20 -2
- package/dist/plot/layout.js +59 -16
- package/dist/plot/reference-line.d.ts +1 -1
- package/dist/plot/reference-line.js +9 -11
- package/dist/plot/scales.d.ts +1 -1
- package/dist/plot/scales.js +20 -23
- package/dist/plot/types.d.ts +30 -58
- package/dist/plot/types.js +2 -6
- package/dist/plot/utils/label-placement.d.ts +24 -3
- package/dist/plot/utils/label-placement.js +82 -12
- package/dist/plot/utils/series-visibility.d.ts +8 -2
- package/dist/plot/utils/series-visibility.js +23 -5
- package/dist/rdf/RdfPlot.svelte +5 -5
- package/dist/rdf/calc-rdf.js +3 -3
- package/dist/sanitize.d.ts +2 -0
- package/dist/sanitize.js +2 -0
- package/dist/spectral/Bands.svelte +1 -1
- package/dist/spectral/BandsAndDos.svelte +22 -16
- package/dist/spectral/BrillouinBandsDos.svelte +20 -16
- package/dist/spectral/Dos.svelte +1 -1
- package/dist/spectral/helpers.d.ts +4 -2
- package/dist/spectral/helpers.js +44 -35
- package/dist/spectral/index.d.ts +1 -1
- package/dist/spectral/index.js +0 -1
- package/dist/structure/AtomLegend.svelte +23 -6
- package/dist/structure/AtomLegend.svelte.d.ts +1 -0
- package/dist/structure/CanvasTooltip.svelte +9 -9
- package/dist/structure/CanvasTooltip.svelte.d.ts +1 -1
- package/dist/structure/CellSelect.svelte +14 -16
- package/dist/structure/Structure.svelte +317 -68
- package/dist/structure/Structure.svelte.d.ts +4 -2
- package/dist/structure/StructureControls.svelte +20 -45
- package/dist/structure/StructureExportPane.svelte +2 -1
- package/dist/structure/StructureInfoPane.svelte +10 -8
- package/dist/structure/StructureScene.svelte +527 -177
- package/dist/structure/StructureScene.svelte.d.ts +5 -2
- package/dist/structure/atom-properties.js +4 -4
- package/dist/structure/bond-order-perception.js +115 -98
- package/dist/structure/bonding.d.ts +27 -1
- package/dist/structure/bonding.js +187 -16
- package/dist/structure/export.js +1 -1
- package/dist/structure/index.d.ts +3 -2
- package/dist/structure/index.js +0 -2
- package/dist/structure/parse.js +88 -59
- package/dist/symmetry/WyckoffTable.svelte +7 -0
- package/dist/symmetry/index.js +13 -14
- package/dist/table/HeatmapTable.svelte +45 -66
- package/dist/table/HeatmapTable.svelte.d.ts +1 -1
- package/dist/table/ToggleMenu.svelte +19 -10
- package/dist/theme/themes.mjs +12 -0
- package/dist/tooltip/index.d.ts +1 -1
- package/dist/tooltip/index.js +0 -1
- package/dist/trajectory/Trajectory.svelte +43 -15
- package/dist/trajectory/TrajectoryInfoPane.svelte +2 -2
- package/dist/trajectory/extract.js +1 -1
- package/dist/trajectory/frame-reader.js +4 -4
- package/dist/trajectory/helpers.d.ts +5 -4
- package/dist/trajectory/helpers.js +9 -17
- package/dist/trajectory/index.d.ts +2 -2
- package/dist/trajectory/index.js +2 -2
- package/dist/trajectory/parse/ase.js +4 -4
- package/dist/trajectory/parse/hdf5.js +1 -1
- package/dist/trajectory/parse/index.js +2 -3
- package/dist/trajectory/parse/lammps.js +1 -1
- package/dist/trajectory/parse/vasp.js +1 -1
- package/dist/trajectory/plotting.d.ts +1 -1
- package/dist/trajectory/plotting.js +38 -38
- package/dist/trajectory/types.d.ts +1 -1
- package/dist/utils.d.ts +1 -0
- package/dist/utils.js +9 -0
- package/dist/xrd/calc-xrd.js +3 -4
- package/dist/xrd/parse.js +1 -1
- package/package.json +42 -22
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import type { Sides } from './layout';
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import { type DensityBin, type DenseInternalPoint, type DensePointSeries } from './adaptive-density';
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import type { AxisConfig, ScatterHandlerProps } from './types';
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import type { Snippet } from 'svelte';
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import type { HTMLAttributes } from 'svelte/elements';
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import type { BinnedDensityConfig, BinnedOverlaysConfig, BinnedPointDataFn, BinnedPointLabelsConfig, BinnedPointTooltipPayload, BinnedSizeScaleConfig } from './binned-scatter-types';
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declare function $$render<Metadata extends Record<string, unknown> = Record<string, unknown>, PointData extends Record<string, unknown> = Record<string, unknown>>(): {
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props: Omit<HTMLAttributes<HTMLDivElement>, "children"> & {
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series: DensePointSeries<Metadata>[];
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x_axis?: AxisConfig;
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y_axis?: AxisConfig;
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size_scale?: BinnedSizeScaleConfig;
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density?: BinnedDensityConfig;
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overlays?: BinnedOverlaysConfig;
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padding?: Sides;
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tooltip?: Snippet<[BinnedPointTooltipPayload<Metadata, PointData>]>;
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point_data?: BinnedPointDataFn<Metadata, PointData>;
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point_labels?: BinnedPointLabelsConfig<Metadata, PointData>;
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selected_point_id?: string | number | null;
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on_point_click?: (payload: ScatterHandlerProps<Metadata> & {
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point: DenseInternalPoint<Metadata>;
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event: MouseEvent;
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color?: string;
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point_data?: PointData;
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}) => void;
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on_density_zoom?: (payload: {
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bin: DensityBin;
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event: MouseEvent;
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}) => void;
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render_mode?: "density" | "points";
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wrapper?: HTMLDivElement;
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fullscreen?: boolean;
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fullscreen_toggle?: boolean;
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children?: Snippet<[{
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height: number;
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width: number;
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fullscreen: boolean;
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}]>;
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header_controls?: Snippet<[{
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height: number;
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width: number;
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fullscreen: boolean;
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}]>;
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};
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exports: {};
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bindings: "render_mode" | "fullscreen" | "wrapper";
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slots: {};
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events: {};
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};
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declare class __sveltets_Render<Metadata extends Record<string, unknown> = Record<string, unknown>, PointData extends Record<string, unknown> = Record<string, unknown>> {
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events(): ReturnType<typeof $$render<Metadata, PointData>>['events'];
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slots(): ReturnType<typeof $$render<Metadata, PointData>>['slots'];
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bindings(): "render_mode" | "fullscreen" | "wrapper";
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exports(): {};
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}
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interface $$IsomorphicComponent {
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new <Metadata extends Record<string, unknown> = Record<string, unknown>, PointData extends Record<string, unknown> = Record<string, unknown>>(options: import('svelte').ComponentConstructorOptions<ReturnType<__sveltets_Render<Metadata, PointData>['props']>>): import('svelte').SvelteComponent<ReturnType<__sveltets_Render<Metadata, PointData>['props']>, ReturnType<__sveltets_Render<Metadata, PointData>['events']>, ReturnType<__sveltets_Render<Metadata, PointData>['slots']>> & {
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$$bindings?: ReturnType<__sveltets_Render<Metadata, PointData>['bindings']>;
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} & ReturnType<__sveltets_Render<Metadata, PointData>['exports']>;
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<Metadata extends Record<string, unknown> = Record<string, unknown>, PointData extends Record<string, unknown> = Record<string, unknown>>(internal: unknown, props: ReturnType<__sveltets_Render<Metadata, PointData>['props']> & {}): ReturnType<__sveltets_Render<Metadata, PointData>['exports']>;
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}
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declare const BinnedScatterPlot: $$IsomorphicComponent;
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type BinnedScatterPlot<Metadata extends Record<string, unknown> = Record<string, unknown>, PointData extends Record<string, unknown> = Record<string, unknown>> = InstanceType<typeof BinnedScatterPlot<Metadata, PointData>>;
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export default BinnedScatterPlot;
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: Math.sinh(asinh_min + fraction * asinh_span) * asinh_threshold
|
|
388
388
|
} else {
|
|
389
|
-
data_value = min_ramp_domain +
|
|
389
|
+
data_value = min_ramp_domain + fraction * linear_span
|
|
390
390
|
}
|
|
391
391
|
return actual_color_scale_fn(data_value) ?? `transparent`
|
|
392
392
|
})
|
|
@@ -470,17 +470,18 @@
|
|
|
470
470
|
)
|
|
471
471
|
let has_any_select = $derived(has_property_select || has_color_scale_select)
|
|
472
472
|
|
|
473
|
-
//
|
|
474
|
-
// This ensures state matches UI (which shows first option by default)
|
|
473
|
+
// Keep bindable selected keys valid so state matches the select's first-option fallback.
|
|
475
474
|
$effect(() => {
|
|
476
|
-
if (
|
|
477
|
-
|
|
478
|
-
|
|
475
|
+
if (!property_options?.length) return
|
|
476
|
+
if (property_options.some((option) => option.key === selected_property_key)) return
|
|
477
|
+
selected_property_key = property_options[0]?.key
|
|
479
478
|
})
|
|
480
479
|
$effect(() => {
|
|
481
|
-
if (
|
|
482
|
-
|
|
483
|
-
|
|
480
|
+
if (!color_scale_options?.length) return
|
|
481
|
+
if (color_scale_options.some((option) => option.key === selected_color_scale_key)) return
|
|
482
|
+
const first_option = color_scale_options[0]
|
|
483
|
+
selected_color_scale_key = first_option.key
|
|
484
|
+
color_scale = first_option.scale
|
|
484
485
|
})
|
|
485
486
|
|
|
486
487
|
async function handle_property_change(new_key: string, prev_key?: string) {
|
|
@@ -697,6 +698,7 @@
|
|
|
697
698
|
width: auto;
|
|
698
699
|
&:is(.left, .right) {
|
|
699
700
|
flex-direction: column;
|
|
701
|
+
justify-content: center; /* center title vertically along the bar height */
|
|
700
702
|
}
|
|
701
703
|
/* Rotate only the label element, not the entire row (keeps selects usable) */
|
|
702
704
|
/* Only rotate when orientation is vertical AND title is on left/right side */
|
|
@@ -26,6 +26,6 @@ type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
|
|
|
26
26
|
selected_color_scale_key?: string;
|
|
27
27
|
on_color_scale_change?: (key: string) => void;
|
|
28
28
|
};
|
|
29
|
-
declare const ColorBar: import("svelte").Component<$$ComponentProps, {}, "title" | "
|
|
29
|
+
declare const ColorBar: import("svelte").Component<$$ComponentProps, {}, "title" | "color_scale" | "range" | "tick_labels" | "nice_range" | "selected_property_key" | "selected_color_scale_key">;
|
|
30
30
|
type ColorBar = ReturnType<typeof ColorBar>;
|
|
31
31
|
export default ColorBar;
|
|
@@ -17,7 +17,7 @@
|
|
|
17
17
|
clip_path_id,
|
|
18
18
|
x_scale_fn,
|
|
19
19
|
y_scale_fn,
|
|
20
|
-
|
|
20
|
+
is_hovered = false,
|
|
21
21
|
on_click,
|
|
22
22
|
on_hover,
|
|
23
23
|
tween_options,
|
|
@@ -28,7 +28,7 @@
|
|
|
28
28
|
clip_path_id: string
|
|
29
29
|
x_scale_fn: ((x: number) => number) & { invert?: (y: number) => number | Date }
|
|
30
30
|
y_scale_fn: ((y: number) => number) & { invert?: (y: number) => number }
|
|
31
|
-
|
|
31
|
+
is_hovered?: boolean
|
|
32
32
|
on_click?: (event: FillHandlerEvent) => void
|
|
33
33
|
on_hover?: (event: FillHandlerEvent | null) => void
|
|
34
34
|
tween_options?: TweenOptions<string>
|
|
@@ -40,8 +40,6 @@
|
|
|
40
40
|
`fill-gradient-${region.id ?? region_idx}-${instance_id}`,
|
|
41
41
|
)
|
|
42
42
|
|
|
43
|
-
// Effective styling based on hover state
|
|
44
|
-
let is_hovered = $derived(hovered_region === region_idx)
|
|
45
43
|
let effective_opacity = $derived(
|
|
46
44
|
is_hovered && region.hover_style?.fill_opacity != null
|
|
47
45
|
? region.hover_style.fill_opacity
|
|
@@ -11,7 +11,7 @@ type $$ComponentProps = {
|
|
|
11
11
|
y_scale_fn: ((y: number) => number) & {
|
|
12
12
|
invert?: (y: number) => number;
|
|
13
13
|
};
|
|
14
|
-
|
|
14
|
+
is_hovered?: boolean;
|
|
15
15
|
on_click?: (event: FillHandlerEvent) => void;
|
|
16
16
|
on_hover?: (event: FillHandlerEvent | null) => void;
|
|
17
17
|
tween_options?: TweenOptions<string>;
|