matterviz 0.4.1 → 0.4.3
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 +10 -4
- package/dist/FilePicker.svelte +48 -60
- package/dist/Icon.svelte +7 -4
- package/dist/MillerIndexInput.svelte +2 -2
- package/dist/api/optimade.js +10 -7
- package/dist/app.css +68 -0
- package/dist/brillouin/BrillouinZone.svelte +90 -91
- package/dist/brillouin/BrillouinZone.svelte.d.ts +5 -7
- package/dist/brillouin/BrillouinZoneControls.svelte +3 -6
- package/dist/brillouin/BrillouinZoneExportPane.svelte +18 -14
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +6 -10
- package/dist/brillouin/BrillouinZoneScene.svelte +46 -68
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
- package/dist/brillouin/compute.js +10 -16
- package/dist/brillouin/geometry.js +2 -2
- package/dist/chempot-diagram/ChemPotDiagram.svelte +48 -50
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +61 -169
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +1 -1
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +559 -755
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +1 -1
- package/dist/chempot-diagram/async-compute.svelte.js +13 -14
- package/dist/chempot-diagram/color.d.ts +21 -1
- package/dist/chempot-diagram/color.js +70 -1
- package/dist/chempot-diagram/compute.d.ts +7 -0
- package/dist/chempot-diagram/compute.js +85 -26
- package/dist/chempot-diagram/controls-state.svelte.js +1 -1
- package/dist/chempot-diagram/export.js +1 -6
- package/dist/chempot-diagram/temperature.js +9 -10
- package/dist/colors/index.d.ts +0 -4
- package/dist/colors/index.js +19 -20
- package/dist/composition/BarChart.svelte +30 -26
- package/dist/composition/BubbleChart.svelte +17 -17
- package/dist/composition/Composition.svelte +10 -19
- package/dist/composition/Formula.svelte +20 -27
- package/dist/composition/FormulaFilter.svelte +115 -184
- package/dist/composition/PieChart.svelte +55 -41
- package/dist/composition/format.js +7 -9
- package/dist/composition/index.d.ts +2 -0
- package/dist/composition/index.js +14 -0
- package/dist/composition/parse.d.ts +2 -2
- package/dist/composition/parse.js +61 -115
- package/dist/constants.d.ts +0 -1
- package/dist/constants.js +17 -26
- package/dist/convex-hull/ConvexHull.svelte +12 -15
- package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull2D.svelte +93 -94
- package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull3D.svelte +127 -186
- package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull4D.svelte +131 -180
- package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHullChrome.svelte +36 -40
- package/dist/convex-hull/ConvexHullControls.svelte +46 -48
- package/dist/convex-hull/ConvexHullStats.svelte +193 -195
- package/dist/convex-hull/ConvexHullTooltip.svelte +5 -12
- package/dist/convex-hull/GasPressureControls.svelte +5 -12
- package/dist/convex-hull/StructurePopup.svelte +18 -22
- package/dist/convex-hull/StructurePopup.svelte.d.ts +2 -0
- package/dist/convex-hull/TemperatureSlider.svelte +4 -10
- package/dist/convex-hull/canvas-interactions.svelte.js +2 -1
- package/dist/convex-hull/gas-thermodynamics.js +21 -53
- package/dist/convex-hull/helpers.d.ts +8 -10
- package/dist/convex-hull/helpers.js +37 -43
- package/dist/convex-hull/hull-state.svelte.d.ts +1 -1
- package/dist/convex-hull/thermodynamics.js +37 -44
- package/dist/coordination/CoordinationBarPlot.svelte +49 -53
- package/dist/coordination/CoordinationBarPlot.svelte.d.ts +1 -1
- package/dist/coordination/calc-coordination.d.ts +1 -1
- package/dist/coordination/calc-coordination.js +28 -25
- package/dist/element/BohrAtom.svelte +5 -9
- package/dist/element/ElementHeading.svelte +4 -1
- package/dist/element/ElementPhoto.svelte +11 -9
- package/dist/element/ElementStats.svelte +12 -10
- package/dist/element/ElementTile.svelte +44 -67
- package/dist/element/Nucleus.svelte +4 -2
- package/dist/element/data.d.ts +3 -2
- package/dist/element/data.js +5 -1
- package/dist/element/helpers.d.ts +4 -0
- package/dist/element/helpers.js +18 -0
- package/dist/element/index.d.ts +2 -5
- package/dist/element/index.js +4 -19
- package/dist/feedback/DragOverlay.svelte +5 -5
- package/dist/feedback/DragOverlay.svelte.d.ts +2 -2
- package/dist/feedback/StatusMessage.svelte +7 -4
- package/dist/fermi-surface/FermiSlice.svelte +21 -18
- package/dist/fermi-surface/FermiSurface.svelte +35 -44
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +7 -13
- package/dist/fermi-surface/FermiSurfaceControls.svelte +6 -20
- package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceScene.svelte +64 -136
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte +9 -6
- package/dist/fermi-surface/compute.js +25 -58
- package/dist/fermi-surface/parse.js +54 -88
- package/dist/file-viewer/JsonBrowser.svelte +1043 -0
- package/dist/file-viewer/JsonBrowser.svelte.d.ts +9 -0
- package/dist/file-viewer/PlotPanel.svelte +350 -0
- package/dist/file-viewer/PlotPanel.svelte.d.ts +9 -0
- package/dist/file-viewer/TrajectoryWithDos.svelte +30 -0
- package/dist/file-viewer/TrajectoryWithDos.svelte.d.ts +10 -0
- package/dist/file-viewer/detect.d.ts +11 -0
- package/dist/file-viewer/detect.js +381 -0
- package/dist/file-viewer/eligibility.d.ts +4 -0
- package/dist/file-viewer/eligibility.js +53 -0
- package/dist/file-viewer/host-protocol.d.ts +50 -0
- package/dist/file-viewer/host-transfer.d.ts +25 -0
- package/dist/file-viewer/host-transfer.js +42 -0
- package/dist/file-viewer/index.d.ts +5 -0
- package/dist/file-viewer/index.js +5 -0
- package/dist/file-viewer/main.d.ts +44 -0
- package/dist/file-viewer/main.js +535 -0
- package/dist/file-viewer/parse.d.ts +9 -0
- package/dist/file-viewer/parse.js +170 -0
- package/dist/file-viewer/plot-utils.d.ts +24 -0
- package/dist/file-viewer/plot-utils.js +191 -0
- package/dist/file-viewer/types.d.ts +4 -0
- package/dist/file-viewer/types.js +5 -0
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +153 -219
- package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +2 -2
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +9 -7
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +1 -1
- package/dist/heatmap-matrix/index.d.ts +5 -0
- package/dist/icons.d.ts +4 -0
- package/dist/icons.js +4 -0
- package/dist/index.d.ts +2 -2
- package/dist/index.js +1 -1
- package/dist/io/ExportPane.svelte +11 -7
- package/dist/io/decompress.d.ts +4 -1
- package/dist/io/decompress.js +24 -36
- package/dist/io/export.d.ts +11 -4
- package/dist/io/export.js +75 -19
- package/dist/io/fetch.d.ts +0 -3
- package/dist/io/fetch.js +0 -11
- package/dist/io/file-drop.js +60 -35
- package/dist/io/index.d.ts +0 -1
- package/dist/io/index.js +2 -9
- package/dist/io/is-binary.d.ts +9 -0
- package/dist/io/is-binary.js +45 -1
- package/dist/io/url-drop.d.ts +2 -0
- package/dist/io/url-drop.js +40 -40
- package/dist/isosurface/Isosurface.svelte +700 -215
- package/dist/isosurface/Isosurface.svelte.d.ts +7 -1
- package/dist/isosurface/IsosurfaceControls.svelte +590 -116
- package/dist/isosurface/IsosurfaceControls.svelte.d.ts +1 -1
- package/dist/isosurface/VolumeSlice.svelte +224 -0
- package/dist/isosurface/VolumeSlice.svelte.d.ts +28 -0
- package/dist/isosurface/coloring.d.ts +20 -0
- package/dist/isosurface/coloring.js +118 -0
- package/dist/isosurface/geometry-worker-types.d.ts +38 -0
- package/dist/isosurface/geometry.worker.d.ts +1 -0
- package/dist/isosurface/geometry.worker.js +59 -0
- package/dist/isosurface/grid.d.ts +10 -0
- package/dist/isosurface/grid.js +31 -0
- package/dist/isosurface/index.d.ts +4 -0
- package/dist/isosurface/index.js +4 -0
- package/dist/isosurface/parse-vaspwave.d.ts +3 -0
- package/dist/isosurface/parse-vaspwave.js +138 -0
- package/dist/isosurface/parse.js +6 -6
- package/dist/isosurface/profile.d.ts +12 -0
- package/dist/isosurface/profile.js +19 -0
- package/dist/isosurface/sampling.d.ts +34 -0
- package/dist/isosurface/sampling.js +408 -0
- package/dist/isosurface/slice-rendering.d.ts +13 -0
- package/dist/isosurface/slice-rendering.js +79 -0
- package/dist/isosurface/slice.d.ts +22 -2
- package/dist/isosurface/slice.js +200 -116
- package/dist/isosurface/types.d.ts +24 -1
- package/dist/isosurface/types.js +120 -8
- package/dist/json-path.d.ts +4 -0
- package/dist/json-path.js +89 -0
- package/dist/labels.d.ts +6 -2
- package/dist/labels.js +44 -14
- package/dist/layout/FullscreenButton.svelte +2 -1
- package/dist/layout/FullscreenToggle.svelte +10 -4
- package/dist/layout/InfoCard.svelte +8 -21
- package/dist/layout/InfoTag.svelte +1 -3
- package/dist/layout/NumberRangeInput.svelte +46 -0
- package/dist/layout/NumberRangeInput.svelte.d.ts +12 -0
- package/dist/layout/PropertyFilter.svelte +2 -6
- package/dist/layout/SettingsSection.svelte +57 -62
- package/dist/layout/SettingsSection.svelte.d.ts +6 -7
- package/dist/layout/SubpageGrid.svelte +3 -1
- package/dist/layout/ViewerChrome.svelte +16 -11
- package/dist/layout/ViewerChrome.svelte.d.ts +2 -1
- package/dist/layout/fullscreen.js +3 -5
- package/dist/layout/fullscreen.svelte.js +1 -2
- package/dist/layout/index.d.ts +1 -0
- package/dist/layout/index.js +1 -0
- package/dist/layout/json-tree/JsonNode.svelte +22 -59
- package/dist/layout/json-tree/JsonTree.svelte +101 -172
- package/dist/layout/json-tree/JsonValue.svelte +9 -32
- package/dist/layout/json-tree/utils.d.ts +0 -3
- package/dist/layout/json-tree/utils.js +50 -188
- package/dist/marching-cubes.d.ts +8 -1
- package/dist/marching-cubes.js +115 -48
- package/dist/math.d.ts +5 -2
- package/dist/math.js +48 -38
- package/dist/overlays/ContextMenu.svelte +19 -34
- package/dist/overlays/CopyButton.svelte +11 -5
- package/dist/overlays/DragControlTab.svelte +6 -1
- package/dist/overlays/DraggablePane.svelte +110 -74
- package/dist/overlays/DraggablePane.svelte.d.ts +2 -1
- package/dist/overlays/GlassChip.svelte +32 -0
- package/dist/overlays/GlassChip.svelte.d.ts +8 -0
- package/dist/overlays/InfoPaneCards.svelte +11 -23
- package/dist/overlays/index.d.ts +7 -0
- package/dist/overlays/index.js +26 -0
- package/dist/overlays/portal.d.ts +2 -0
- package/dist/overlays/portal.js +14 -0
- package/dist/periodic-table/PeriodicTable.svelte +113 -145
- package/dist/periodic-table/PeriodicTable.svelte.d.ts +5 -3
- package/dist/periodic-table/PeriodicTableControls.svelte +37 -115
- package/dist/periodic-table/TableInset.svelte +9 -4
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +68 -105
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -8
- package/dist/phase-diagram/PhaseDiagramControls.svelte +70 -94
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +1 -1
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +2 -1
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +12 -12
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +54 -58
- package/dist/phase-diagram/TdbInfoPanel.svelte +21 -15
- package/dist/phase-diagram/build-diagram.js +4 -9
- package/dist/phase-diagram/diagram-input.d.ts +1 -2
- package/dist/phase-diagram/parse.js +15 -15
- package/dist/phase-diagram/svg-to-diagram.js +28 -27
- package/dist/phase-diagram/utils.js +2 -3
- package/dist/plot/bar/BarPlot.svelte +461 -426
- package/dist/plot/bar/BarPlot.svelte.d.ts +2 -0
- package/dist/plot/bar/BarPlotControls.svelte +1 -3
- package/dist/plot/bar/BarPlotControls.svelte.d.ts +4 -6
- package/dist/plot/bar/SpacegroupBarPlot.svelte +46 -77
- package/dist/plot/bar/data.d.ts +5 -4
- package/dist/plot/bar/data.js +2 -1
- package/dist/plot/box/BoxPlot.svelte +322 -226
- package/dist/plot/box/BoxPlot.svelte.d.ts +2 -0
- package/dist/plot/box/Violin.svelte.d.ts +1 -0
- package/dist/plot/box/box-plot.js +1 -1
- package/dist/plot/core/auto-place.d.ts +1 -1
- package/dist/plot/core/auto-place.js +2 -2
- package/dist/plot/core/axis-utils.d.ts +12 -7
- package/dist/plot/core/axis-utils.js +48 -48
- package/dist/plot/core/components/AxisLabel.svelte +82 -20
- package/dist/plot/core/components/AxisLabel.svelte.d.ts +1 -0
- package/dist/plot/core/components/ColorBar.svelte +101 -106
- package/dist/plot/core/components/ColorScaleSelect.svelte +1 -1
- package/dist/plot/core/components/FillArea.svelte +10 -17
- package/dist/plot/core/components/HierarchyControls.svelte +249 -0
- package/dist/plot/{sunburst/SunburstControls.svelte.d.ts → core/components/HierarchyControls.svelte.d.ts} +12 -8
- package/dist/plot/core/components/InteractiveAxisLabel.svelte +1 -1
- package/dist/plot/core/components/InteractiveAxisLabel.svelte.d.ts +1 -1
- package/dist/plot/core/components/Line.svelte +18 -9
- package/dist/plot/core/components/Line.svelte.d.ts +2 -0
- package/dist/plot/core/components/PlotAxis.svelte +40 -17
- package/dist/plot/core/components/PlotControls.svelte +65 -41
- package/dist/plot/core/components/PlotLegend.svelte +31 -35
- package/dist/plot/core/components/PlotMarginals.svelte +616 -0
- package/dist/plot/core/components/PlotMarginals.svelte.d.ts +15 -0
- package/dist/plot/core/components/PlotTooltip.svelte +1 -1
- package/dist/plot/core/components/PortalSelect.svelte +4 -8
- package/dist/plot/core/components/ReferenceLine.svelte +27 -24
- package/dist/plot/core/components/ReferenceLine3D.svelte +54 -57
- package/dist/plot/core/components/ReferencePlane.svelte +7 -8
- package/dist/plot/core/components/ZeroLines.svelte +4 -8
- package/dist/plot/core/components/ZoomRect.svelte +1 -2
- package/dist/plot/core/components/index.d.ts +1 -0
- package/dist/plot/core/components/index.js +1 -0
- package/dist/plot/core/data-cleaning-signal.d.ts +46 -0
- package/dist/plot/core/data-cleaning-signal.js +467 -0
- package/dist/plot/core/data-cleaning.d.ts +2 -42
- package/dist/plot/core/data-cleaning.js +27 -474
- package/dist/plot/core/data-transform.d.ts +1 -2
- package/dist/plot/core/data-transform.js +9 -15
- package/dist/plot/core/fill-utils.d.ts +3 -1
- package/dist/plot/core/fill-utils.js +28 -6
- package/dist/plot/core/index.d.ts +1 -0
- package/dist/plot/core/index.js +1 -0
- package/dist/plot/core/interactions.js +0 -2
- package/dist/plot/core/layout.d.ts +15 -6
- package/dist/plot/core/layout.js +57 -38
- package/dist/plot/core/marginals.d.ts +170 -0
- package/dist/plot/core/marginals.js +436 -0
- package/dist/plot/core/pan-zoom.svelte.d.ts +2 -4
- package/dist/plot/core/pan-zoom.svelte.js +34 -17
- package/dist/plot/core/placed-tween.svelte.d.ts +3 -0
- package/dist/plot/core/placed-tween.svelte.js +68 -21
- package/dist/plot/core/reference-line.js +1 -1
- package/dist/plot/core/scales.d.ts +23 -0
- package/dist/plot/core/scales.js +39 -13
- package/dist/plot/core/svg.js +0 -1
- package/dist/plot/core/types/fills.d.ts +101 -0
- package/dist/plot/core/types/fills.js +15 -0
- package/dist/plot/core/types/plot-3d.d.ts +87 -0
- package/dist/plot/core/types/plot-3d.js +4 -0
- package/dist/plot/core/types/reference-lines.d.ts +140 -0
- package/dist/plot/core/types/reference-lines.js +9 -0
- package/dist/plot/core/types.d.ts +29 -324
- package/dist/plot/core/types.js +23 -20
- package/dist/plot/core/utils/hierarchy-chart.d.ts +52 -0
- package/dist/plot/core/utils/hierarchy-chart.js +191 -0
- package/dist/plot/core/utils/hierarchy-labels.d.ts +20 -0
- package/dist/plot/core/utils/hierarchy-labels.js +100 -0
- package/dist/plot/core/utils/label-placement.js +2 -2
- package/dist/plot/histogram/Histogram.svelte +314 -340
- package/dist/plot/histogram/Histogram.svelte.d.ts +7 -7
- package/dist/plot/histogram/HistogramControls.svelte +30 -28
- package/dist/plot/histogram/histogram.d.ts +31 -0
- package/dist/plot/histogram/histogram.js +70 -0
- package/dist/plot/histogram/index.d.ts +1 -0
- package/dist/plot/histogram/index.js +1 -0
- package/dist/plot/index.d.ts +1 -0
- package/dist/plot/index.js +1 -0
- package/dist/plot/sankey/Sankey.svelte +78 -69
- package/dist/plot/sankey/Sankey.svelte.d.ts +2 -2
- package/dist/plot/sankey/SankeyControls.svelte +22 -16
- package/dist/plot/sankey/sankey.js +13 -9
- package/dist/plot/scatter/BinnedScatterPlot.svelte +311 -141
- package/dist/plot/scatter/BinnedScatterPlot.svelte.d.ts +7 -0
- package/dist/plot/scatter/ElementScatter.svelte +4 -1
- package/dist/plot/scatter/ScatterPlot.svelte +517 -410
- package/dist/plot/scatter/ScatterPlot.svelte.d.ts +2 -0
- package/dist/plot/scatter/ScatterPlotControls.svelte +18 -19
- package/dist/plot/scatter/ScatterPlotControls.svelte.d.ts +1 -1
- package/dist/plot/scatter/ScatterPoint.svelte +16 -9
- package/dist/plot/scatter/adaptive-density.d.ts +1 -1
- package/dist/plot/scatter/adaptive-density.js +36 -20
- package/dist/plot/scatter/binned-scatter-types.d.ts +3 -2
- package/dist/plot/scatter/binned-scatter-types.js +6 -1
- package/dist/plot/scatter/scatter-data.d.ts +1 -1
- package/dist/plot/scatter/scatter-data.js +8 -7
- package/dist/plot/scatter-3d/ScatterPlot3D.svelte +25 -34
- package/dist/plot/scatter-3d/ScatterPlot3D.svelte.d.ts +2 -2
- package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte +8 -5
- package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte +113 -116
- package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte.d.ts +2 -2
- package/dist/plot/scatter-3d/Surface3D.svelte +4 -13
- package/dist/plot/sunburst/Sunburst.svelte +269 -347
- package/dist/plot/sunburst/Sunburst.svelte.d.ts +2 -2
- package/dist/plot/sunburst/index.d.ts +1 -1
- package/dist/plot/sunburst/index.js +2 -1
- package/dist/plot/sunburst/render.d.ts +2 -2
- package/dist/plot/sunburst/render.js +47 -22
- package/dist/plot/sunburst/sunburst.d.ts +5 -1
- package/dist/plot/sunburst/sunburst.js +10 -3
- package/dist/plot/treemap/Treemap.svelte +1022 -0
- package/dist/plot/treemap/Treemap.svelte.d.ts +90 -0
- package/dist/plot/treemap/index.d.ts +4 -0
- package/dist/plot/treemap/index.js +4 -0
- package/dist/plot/treemap/labels.d.ts +38 -0
- package/dist/plot/treemap/labels.js +80 -0
- package/dist/plot/treemap/treemap.d.ts +28 -0
- package/dist/plot/treemap/treemap.js +102 -0
- package/dist/rdf/RdfPlot.svelte +37 -59
- package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
- package/dist/rdf/calc-rdf.js +63 -52
- package/dist/rdf/index.d.ts +0 -1
- package/dist/sanitize.js +85 -27
- package/dist/scene/SceneCamera.svelte +1 -1
- package/dist/scene/SceneCamera.svelte.d.ts +1 -1
- package/dist/scene/bind-renderer.svelte.js +14 -6
- package/dist/scene/index.d.ts +1 -2
- package/dist/scene/index.js +1 -1
- package/dist/scene/{props.js → props.svelte.js} +15 -1
- package/dist/settings.d.ts +19 -9
- package/dist/settings.js +229 -525
- package/dist/spectral/Bands.svelte +207 -221
- package/dist/spectral/BandsAndDos.svelte +11 -9
- package/dist/spectral/BrillouinBandsDos.svelte +19 -42
- package/dist/spectral/Dos.svelte +92 -93
- package/dist/spectral/helpers.d.ts +3 -3
- package/dist/spectral/helpers.js +65 -140
- package/dist/state.svelte.js +5 -18
- package/dist/structure/Arrow.svelte +5 -18
- package/dist/structure/ArrowInstances.svelte +160 -0
- package/dist/structure/ArrowInstances.svelte.d.ts +16 -0
- package/dist/structure/AtomLegend.svelte +120 -85
- package/dist/structure/AtomLegend.svelte.d.ts +2 -3
- package/dist/structure/Bond.svelte +31 -23
- package/dist/structure/CanvasTooltip.svelte +15 -3
- package/dist/structure/CellSelect.svelte +45 -35
- package/dist/structure/Cylinder.svelte +24 -40
- package/dist/structure/InstancedAtoms.svelte +114 -0
- package/dist/structure/InstancedAtoms.svelte.d.ts +15 -0
- package/dist/structure/Lattice.svelte +85 -149
- package/dist/structure/SiteLabels.svelte +122 -0
- package/dist/structure/SiteLabels.svelte.d.ts +18 -0
- package/dist/structure/Structure.svelte +636 -504
- package/dist/structure/Structure.svelte.d.ts +4 -2
- package/dist/structure/StructureCarousel.svelte +637 -0
- package/dist/structure/StructureCarousel.svelte.d.ts +19 -0
- package/dist/structure/StructureControls.svelte +165 -425
- package/dist/structure/StructureControls.svelte.d.ts +1 -1
- package/dist/structure/StructureExportPane.svelte +17 -21
- package/dist/structure/StructureInfoPane.svelte +128 -133
- package/dist/structure/StructureInfoPane.svelte.d.ts +1 -1
- package/dist/structure/StructureScene.svelte +535 -578
- package/dist/structure/StructureScene.svelte.d.ts +6 -2
- package/dist/structure/StructureViewport.svelte +451 -0
- package/dist/structure/StructureViewport.svelte.d.ts +65 -0
- package/dist/structure/atom-label-placement.d.ts +16 -12
- package/dist/structure/atom-label-placement.js +70 -37
- package/dist/structure/atom-properties.d.ts +2 -0
- package/dist/structure/atom-properties.js +105 -38
- package/dist/structure/bond-order-perception.js +3 -8
- package/dist/structure/bonding.d.ts +9 -3
- package/dist/structure/bonding.js +95 -46
- package/dist/structure/edit-history.d.ts +6 -0
- package/dist/structure/edit-history.js +27 -0
- package/dist/structure/export.d.ts +1 -0
- package/dist/structure/export.js +89 -105
- package/dist/structure/format-detect.d.ts +1 -0
- package/dist/structure/format-detect.js +20 -0
- package/dist/structure/geometry.d.ts +9 -0
- package/dist/structure/geometry.js +27 -0
- package/dist/structure/index.d.ts +16 -1
- package/dist/structure/index.js +15 -10
- package/dist/structure/measure.d.ts +1 -1
- package/dist/structure/measure.js +6 -12
- package/dist/structure/parse.d.ts +2 -1
- package/dist/structure/parse.js +272 -313
- package/dist/structure/partial-occupancy.js +10 -5
- package/dist/structure/pbc.js +85 -107
- package/dist/structure/polyhedra.d.ts +0 -1
- package/dist/structure/polyhedra.js +7 -21
- package/dist/structure/prop-groups.d.ts +85 -0
- package/dist/structure/prop-groups.js +18 -0
- package/dist/structure/supercell.d.ts +1 -2
- package/dist/structure/supercell.js +7 -13
- package/dist/symmetry/SymmetryElements.svelte +11 -15
- package/dist/symmetry/SymmetryStats.svelte +55 -71
- package/dist/symmetry/WyckoffTable.svelte +10 -28
- package/dist/symmetry/cell-transform.js +6 -14
- package/dist/symmetry/index.d.ts +1 -0
- package/dist/symmetry/index.js +13 -10
- package/dist/symmetry/spacegroups.js +3 -2
- package/dist/table/HeatmapTable.svelte +1142 -447
- package/dist/table/HeatmapTable.svelte.d.ts +12 -2
- package/dist/table/ToggleMenu.svelte +168 -53
- package/dist/table/ToggleMenu.svelte.d.ts +1 -1
- package/dist/table/index.d.ts +21 -6
- package/dist/table/index.js +34 -21
- package/dist/theme/ThemeControl.svelte +16 -8
- package/dist/theme/embedded.d.ts +18 -0
- package/dist/theme/embedded.js +206 -0
- package/dist/theme/index.d.ts +5 -5
- package/dist/theme/index.js +5 -12
- package/dist/theme/themes.mjs +44 -66
- package/dist/tooltip/KCoords.svelte +4 -1
- package/dist/tooltip/TooltipContent.svelte +3 -6
- package/dist/tooltip/TooltipContent.svelte.d.ts +1 -1
- package/dist/tooltip/index.d.ts +8 -1
- package/dist/trajectory/Trajectory.svelte +613 -386
- package/dist/trajectory/Trajectory.svelte.d.ts +1 -1
- package/dist/trajectory/TrajectoryError.svelte +12 -74
- package/dist/trajectory/TrajectoryExportPane.svelte +14 -32
- package/dist/trajectory/TrajectoryInfoPane.svelte +127 -164
- package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +2 -1
- package/dist/trajectory/extract.js +61 -49
- package/dist/trajectory/format-detect.d.ts +2 -0
- package/dist/trajectory/format-detect.js +17 -13
- package/dist/trajectory/frame-reader.d.ts +2 -0
- package/dist/trajectory/frame-reader.js +35 -32
- package/dist/trajectory/helpers.d.ts +2 -0
- package/dist/trajectory/helpers.js +34 -56
- package/dist/trajectory/index.d.ts +1 -0
- package/dist/trajectory/index.js +5 -8
- package/dist/trajectory/parse/ase.js +1 -1
- package/dist/trajectory/parse/h5-utils.d.ts +13 -0
- package/dist/trajectory/parse/h5-utils.js +109 -0
- package/dist/trajectory/parse/hdf5.d.ts +1 -1
- package/dist/trajectory/parse/hdf5.js +116 -106
- package/dist/trajectory/parse/index.d.ts +6 -6
- package/dist/trajectory/parse/index.js +25 -33
- package/dist/trajectory/parse/lammps.js +8 -12
- package/dist/trajectory/parse/vasp.js +10 -7
- package/dist/trajectory/parse/vaspout-electronic.d.ts +13 -0
- package/dist/trajectory/parse/vaspout-electronic.js +207 -0
- package/dist/trajectory/parse/vaspout-h5.d.ts +4 -0
- package/dist/trajectory/parse/vaspout-h5.js +281 -0
- package/dist/trajectory/parse/xyz.js +59 -9
- package/dist/trajectory/plotting.d.ts +8 -9
- package/dist/trajectory/plotting.js +113 -64
- package/dist/utils.d.ts +3 -0
- package/dist/utils.js +7 -0
- package/dist/xrd/XrdPlot.svelte +79 -118
- package/dist/xrd/broadening.js +2 -1
- package/dist/xrd/calc-xrd.js +24 -62
- package/dist/xrd/parse.d.ts +0 -1
- package/dist/xrd/parse.js +69 -95
- package/package.json +94 -34
- package/readme.md +6 -5
- package/dist/api/mp.d.ts +0 -6
- package/dist/api/mp.js +0 -22
- package/dist/plot/sunburst/SunburstControls.svelte +0 -200
- package/dist/scene/types.d.ts +0 -26
- package/dist/tooltip/types.d.ts +0 -8
- package/dist/trajectory/constants.d.ts +0 -6
- package/dist/trajectory/constants.js +0 -11
- /package/dist/{scene/types.js → file-viewer/host-protocol.js} +0 -0
- /package/dist/{tooltip/types.js → isosurface/geometry-worker-types.js} +0 -0
package/dist/settings.js
CHANGED
|
@@ -19,27 +19,138 @@ export const ATOM_COLOR_MODE_OPTIONS = [
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19
19
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`custom`,
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20
20
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];
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const DISPLAY_CONFIG = {
|
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x_grid: {
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-
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-
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+
x_grid: { value: true, description: `Show X-axis grid lines` },
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+
y_grid: { value: true, description: `Show Y-axis grid lines` },
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+
y2_grid: { value: false, description: `Show Y2-axis grid lines` },
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+
x_zero_line: { value: true, description: `Show X-axis zero reference line` },
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+
y_zero_line: { value: true, description: `Show Y-axis zero reference line` },
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+
};
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+
// Settings shared by the sunburst + treemap sections below so the two charts'
|
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+
// options can't drift; `node` names the chart's visual unit (arc/cell) and
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+
// `levels` its depth unit (rings/levels) in descriptions.
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const hierarchy_chart_settings = (node, levels, zoom_desc) => ({
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value_mode: {
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value: `leaf-sum`,
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description: `How node values are interpreted (plotly branchvalues semantics): leaf-sum ignores parent values, total treats every value as authoritative, remainder adds a node's own value on top of its children`,
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enum: { 'leaf-sum': `Leaf sum`, total: `Total`, remainder: `Remainder` },
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},
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value:
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description: `
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max_depth: {
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value: 0,
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+
description: `Number of ${levels} shown below the current zoom root (0 = all)`,
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minimum: 0,
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maximum: 10,
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},
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-
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value:
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description: `
|
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43
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+
min_fraction: {
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+
value: 0,
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+
description: `Group sibling ${node}s smaller than this fraction of the total into one 'Other' ${node === `arc` ? `slice` : `cell`} per parent (0 = off)`,
|
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+
minimum: 0,
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+
maximum: 0.2,
|
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33
48
|
},
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34
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-
|
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49
|
+
show_labels: {
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35
50
|
value: true,
|
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36
|
-
description: `Show
|
|
51
|
+
description: `Show labels on ${node}s large enough to fit them`,
|
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52
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+
},
|
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53
|
+
label_text: {
|
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54
|
+
value: `label`,
|
|
55
|
+
description: `What ${node} labels display (percent is of the root total, parent-percent of the parent node)`,
|
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56
|
+
enum: {
|
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label: `Label`,
|
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value: `Value`,
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percent: `Percent`,
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+
'label+value': `Label + value`,
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+
'label+percent': `Label + percent`,
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+
'label+parent-percent': `Label + % of parent`,
|
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63
|
+
},
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37
64
|
},
|
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38
|
-
|
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65
|
+
zoom_on_click: { value: true, description: zoom_desc },
|
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66
|
+
show_breadcrumbs: {
|
|
39
67
|
value: true,
|
|
40
|
-
description: `Show
|
|
68
|
+
description: `Show a clickable ${node === `arc` ? `trail` : `pathbar`} of ancestors when zoomed into a subtree`,
|
|
41
69
|
},
|
|
70
|
+
});
|
|
71
|
+
// Settings shared by the binary/ternary/quaternary convex hull sections below so
|
|
72
|
+
// the three systems' options can't drift; only camera/threshold values differ.
|
|
73
|
+
const convex_hull_settings = (system, values) => {
|
|
74
|
+
const dim = { binary: `2D`, ternary: `3D`, quaternary: `4D` }[system];
|
|
75
|
+
const hull = `${dim} convex hull`;
|
|
76
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+
return {
|
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77
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+
camera_zoom: {
|
|
78
|
+
value: values.camera_zoom,
|
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+
description: `Initial camera zoom for ${system} (${dim}) convex hull`,
|
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80
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+
minimum: 0.1,
|
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81
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+
maximum: values.camera_zoom_max,
|
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+
},
|
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83
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+
camera_center_x: {
|
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84
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+
value: 0,
|
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85
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+
description: `Initial X center for ${system} (${dim}) convex hull`,
|
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86
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+
},
|
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87
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+
camera_center_y: {
|
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88
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+
value: values.camera_center_y,
|
|
89
|
+
description: `Initial Y center for ${system} (${dim}) convex hull`,
|
|
90
|
+
},
|
|
91
|
+
color_mode: {
|
|
92
|
+
value: `energy`,
|
|
93
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+
description: `Color mode for ${hull} points`,
|
|
94
|
+
enum: { stability: `Stability`, energy: `Energy` },
|
|
95
|
+
},
|
|
96
|
+
color_scale: {
|
|
97
|
+
value: `interpolateViridis`,
|
|
98
|
+
description: `D3 interpolate color scale for ${hull} energy mode`,
|
|
99
|
+
},
|
|
100
|
+
show_stable: { value: true, description: `Show stable phases in ${hull}` },
|
|
101
|
+
show_unstable: { value: true, description: `Show unstable phases in ${hull}` },
|
|
102
|
+
show_stable_labels: {
|
|
103
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+
value: true,
|
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104
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+
description: `Show labels for stable phases in ${hull}`,
|
|
105
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+
},
|
|
106
|
+
show_unstable_labels: {
|
|
107
|
+
value: false,
|
|
108
|
+
description: `Show labels for unstable phases in ${hull}`,
|
|
109
|
+
},
|
|
110
|
+
max_hull_dist_show_phases: {
|
|
111
|
+
value: values.max_hull_dist_show_phases,
|
|
112
|
+
description: `Max eV/atom above hull for showing unstable entries in ${hull}`,
|
|
113
|
+
minimum: 0,
|
|
114
|
+
maximum: 2,
|
|
115
|
+
},
|
|
116
|
+
max_hull_dist_show_labels: {
|
|
117
|
+
value: 0.1,
|
|
118
|
+
description: `Max eV/atom above hull for labeling unstable entries in ${hull}`,
|
|
119
|
+
minimum: 0,
|
|
120
|
+
maximum: 2,
|
|
121
|
+
},
|
|
122
|
+
fullscreen: { value: false, description: `Start in fullscreen for ${hull}` },
|
|
123
|
+
info_pane_open: { value: false, description: `Info pane open by default for ${hull}` },
|
|
124
|
+
legend_pane_open: {
|
|
125
|
+
value: false,
|
|
126
|
+
description: `Legend pane open by default for ${hull}`,
|
|
127
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+
},
|
|
128
|
+
};
|
|
42
129
|
};
|
|
130
|
+
// Hull-face settings shared by the 3D-capable hulls (ternary + quaternary)
|
|
131
|
+
const hull_face_settings = (dim, values) => ({
|
|
132
|
+
show_hull_faces: { value: true, description: `Show hull faces in ${dim} convex hull` },
|
|
133
|
+
hull_face_color: {
|
|
134
|
+
value: `#4caf50`,
|
|
135
|
+
description: `Color for hull faces in ${dim} convex hull`,
|
|
136
|
+
},
|
|
137
|
+
hull_face_opacity: {
|
|
138
|
+
value: values.opacity,
|
|
139
|
+
description: `Opacity for hull faces in ${dim} convex hull (0-1)`,
|
|
140
|
+
minimum: 0,
|
|
141
|
+
maximum: 1,
|
|
142
|
+
},
|
|
143
|
+
hull_face_color_mode: {
|
|
144
|
+
value: values.color_mode,
|
|
145
|
+
description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
|
|
146
|
+
enum: {
|
|
147
|
+
uniform: `Uniform`,
|
|
148
|
+
formation_energy: `Formation energy`,
|
|
149
|
+
dominant_element: `Dominant element`,
|
|
150
|
+
facet_index: `Facet index`,
|
|
151
|
+
},
|
|
152
|
+
},
|
|
153
|
+
});
|
|
43
154
|
// Complete settings configuration with values, descriptions, and constraints
|
|
44
155
|
export const SETTINGS_CONFIG = {
|
|
45
156
|
// General display settings
|
|
@@ -92,10 +203,7 @@ export const SETTINGS_CONFIG = {
|
|
|
92
203
|
value: false,
|
|
93
204
|
description: `Render all atoms with the same size regardless of element`,
|
|
94
205
|
},
|
|
95
|
-
show_atoms: {
|
|
96
|
-
value: true,
|
|
97
|
-
description: `Display atoms in the structure`,
|
|
98
|
-
},
|
|
206
|
+
show_atoms: { value: true, description: `Display atoms in the structure` },
|
|
99
207
|
show_image_atoms: {
|
|
100
208
|
value: true,
|
|
101
209
|
description: `Show atoms on the edge of the cell that are not part of the primitive basis`,
|
|
@@ -126,17 +234,11 @@ export const SETTINGS_CONFIG = {
|
|
|
126
234
|
description: `When to display bonds between atoms`,
|
|
127
235
|
enum: SHOW_BONDS_ENUM,
|
|
128
236
|
},
|
|
129
|
-
bond_color: {
|
|
130
|
-
value: `#666666`,
|
|
131
|
-
description: `Color for bonds (hex color code)`,
|
|
132
|
-
},
|
|
237
|
+
bond_color: { value: `#666666`, description: `Color for bonds (hex color code)` },
|
|
133
238
|
bonding_strategy: {
|
|
134
239
|
value: `electroneg_ratio`,
|
|
135
240
|
description: `Method for determining bonds between atoms`,
|
|
136
|
-
enum: {
|
|
137
|
-
electroneg_ratio: `Electronegativity Ratio`,
|
|
138
|
-
solid_angle: `Solid Angle`,
|
|
139
|
-
},
|
|
241
|
+
enum: { electroneg_ratio: `Electronegativity Ratio`, solid_angle: `Solid Angle` },
|
|
140
242
|
},
|
|
141
243
|
show_polyhedra: {
|
|
142
244
|
value: `crystals`,
|
|
@@ -160,11 +262,7 @@ export const SETTINGS_CONFIG = {
|
|
|
160
262
|
polyhedra_color_mode: {
|
|
161
263
|
value: `vertex`,
|
|
162
264
|
description: `Color polyhedra by the atoms at their corners, the center atom, or a single custom color`,
|
|
163
|
-
enum: {
|
|
164
|
-
vertex: `Vertex Atoms`,
|
|
165
|
-
center: `Center Atom`,
|
|
166
|
-
uniform: `Custom Color`,
|
|
167
|
-
},
|
|
265
|
+
enum: { vertex: `Vertex Atoms`, center: `Center Atom`, uniform: `Custom Color` },
|
|
168
266
|
},
|
|
169
267
|
polyhedra_color: {
|
|
170
268
|
value: `#4a90d9`,
|
|
@@ -210,10 +308,7 @@ export const SETTINGS_CONFIG = {
|
|
|
210
308
|
atom_color_scale_type: {
|
|
211
309
|
value: `continuous`,
|
|
212
310
|
description: `Color scale type for property-based coloring`,
|
|
213
|
-
enum: {
|
|
214
|
-
continuous: `Continuous Gradient`,
|
|
215
|
-
categorical: `Discrete Categories`,
|
|
216
|
-
},
|
|
311
|
+
enum: { continuous: `Continuous Gradient`, categorical: `Discrete Categories` },
|
|
217
312
|
},
|
|
218
313
|
// Camera & Controls
|
|
219
314
|
show_gizmo: {
|
|
@@ -229,13 +324,10 @@ export const SETTINGS_CONFIG = {
|
|
|
229
324
|
camera_projection: {
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value: `orthographic`,
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description: `Camera projection type`,
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enum: {
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perspective: `Perspective`,
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orthographic: `Orthographic`,
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},
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enum: { perspective: `Perspective`, orthographic: `Orthographic` },
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},
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initial_zoom: {
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value:
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value: 50,
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description: `Initial zoom level for orthographic projection (ignored for perspective)`,
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minimum: 0.1,
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maximum: 200,
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@@ -295,24 +387,15 @@ export const SETTINGS_CONFIG = {
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maxItems: 3,
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},
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// Labels & Lighting
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show_site_labels: {
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description: `Show element labels on atoms`,
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},
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show_site_indices: {
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value: false,
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description: `Show site index numbers on atoms`,
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},
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show_site_labels: { value: false, description: `Show element labels on atoms` },
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show_site_indices: { value: false, description: `Show site index numbers on atoms` },
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site_label_size: {
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value: 1,
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description: `Font size for atom labels`,
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minimum: 0.5,
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maximum: 5,
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},
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site_label_color: {
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value: `#111111`,
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description: `Text color for atom labels`,
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},
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site_label_color: { value: `#111111`, description: `Text color for atom labels` },
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site_label_bg_color: {
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value: `color-mix(in srgb, #000000 0%, transparent)`,
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description: `Background color for atom labels`,
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@@ -347,7 +430,7 @@ export const SETTINGS_CONFIG = {
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description: `Per-key configuration for site vector layers. Keys map to site property names (e.g. force, magmom, force_DFT). Auto-populated when a structure with vector data loads.`,
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},
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vector_scale: {
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value:
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value: 0.75,
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description: `Scale factor for site vector arrows`,
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minimum: 0.1,
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maximum: 10.0,
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@@ -369,8 +452,8 @@ export const SETTINGS_CONFIG = {
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description: `Show all arrows at the same length (direction only). Useful for spin/magmom visualization where orientation matters but magnitude does not.`,
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},
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vector_uniform_thickness: {
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value:
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description: `Use the same shaft and head size for all arrows regardless of length.
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+
value: true,
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description: `Use the same shaft and head size for all arrows regardless of length. Negative radii are scaled by characteristic atom spacing.`,
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},
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vector_origin_gap: {
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value: 0,
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@@ -379,31 +462,25 @@ export const SETTINGS_CONFIG = {
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maximum: 0.5,
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},
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vector_shaft_radius: {
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-
value: -0.
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|
-
description: `Radius of vector shaft (negative = relative to length, positive = absolute)`,
|
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|
+
value: -0.01,
|
|
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+
description: `Radius of vector shaft (negative = relative to length or atom spacing with uniform thickness, positive = absolute)`,
|
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minimum: -0.1,
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maximum: 0.1,
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|
},
|
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|
vector_arrow_head_radius: {
|
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|
-
value: -0.
|
|
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|
-
description: `Radius of vector arrow head (negative = relative to length, positive = absolute)`,
|
|
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|
+
value: -0.04,
|
|
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|
+
description: `Radius of vector arrow head (negative = relative to length or atom spacing with uniform thickness, positive = absolute)`,
|
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|
minimum: -0.2,
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maximum: 0.2,
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|
},
|
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|
vector_arrow_head_length: {
|
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|
-
value: -0.
|
|
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|
-
description: `Length of vector arrow head (negative = relative to length, positive = absolute)`,
|
|
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|
+
value: -0.1,
|
|
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|
+
description: `Length of vector arrow head (negative = relative to length or atom spacing with uniform thickness, positive = absolute)`,
|
|
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|
minimum: -0.5,
|
|
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|
maximum: 0.5,
|
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|
},
|
|
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|
-
show_cell: {
|
|
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|
-
|
|
401
|
-
description: `Display system cell`,
|
|
402
|
-
},
|
|
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|
-
show_cell_vectors: {
|
|
404
|
-
value: true,
|
|
405
|
-
description: `Display cell vectors`,
|
|
406
|
-
},
|
|
482
|
+
show_cell: { value: false, description: `Display system cell` },
|
|
483
|
+
show_cell_vectors: { value: true, description: `Display cell vectors` },
|
|
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484
|
cell_edge_opacity: {
|
|
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|
value: 0.3,
|
|
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486
|
description: `Opacity of cell edge lines`,
|
|
@@ -416,14 +493,8 @@ export const SETTINGS_CONFIG = {
|
|
|
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|
minimum: 0,
|
|
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494
|
maximum: 1,
|
|
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|
},
|
|
419
|
-
cell_edge_color: {
|
|
420
|
-
|
|
421
|
-
description: `Color of cell edges`,
|
|
422
|
-
},
|
|
423
|
-
cell_surface_color: {
|
|
424
|
-
value: `#e0e0e0`,
|
|
425
|
-
description: `Color of cell surfaces`,
|
|
426
|
-
},
|
|
496
|
+
cell_edge_color: { value: `#808080`, description: `Color of cell edges` },
|
|
497
|
+
cell_surface_color: { value: `#e0e0e0`, description: `Color of cell surfaces` },
|
|
427
498
|
cell_edge_width: {
|
|
428
499
|
value: 1.5,
|
|
429
500
|
description: `Width of cell edge lines`,
|
|
@@ -466,10 +537,7 @@ export const SETTINGS_CONFIG = {
|
|
|
466
537
|
'structure+histogram': `Structure + Histogram`,
|
|
467
538
|
},
|
|
468
539
|
},
|
|
469
|
-
show_controls: {
|
|
470
|
-
value: true,
|
|
471
|
-
description: `Show playback controls`,
|
|
472
|
-
},
|
|
540
|
+
show_controls: { value: true, description: `Show playback controls` },
|
|
473
541
|
fullscreen_toggle: {
|
|
474
542
|
value: true,
|
|
475
543
|
description: `Show fullscreen toggle button (web-only, always false in other contexts)`,
|
|
@@ -484,11 +552,7 @@ export const SETTINGS_CONFIG = {
|
|
|
484
552
|
layout: {
|
|
485
553
|
value: `auto`,
|
|
486
554
|
description: `Layout arrangement for trajectory viewer`,
|
|
487
|
-
enum: {
|
|
488
|
-
auto: `Auto`,
|
|
489
|
-
horizontal: `Horizontal`,
|
|
490
|
-
vertical: `Vertical`,
|
|
491
|
-
},
|
|
555
|
+
enum: { auto: `Auto`, horizontal: `Horizontal`, vertical: `Vertical` },
|
|
492
556
|
},
|
|
493
557
|
// File handling and loading
|
|
494
558
|
allow_file_drop: {
|
|
@@ -552,10 +616,7 @@ export const SETTINGS_CONFIG = {
|
|
|
552
616
|
value: false,
|
|
553
617
|
description: `Use smooth interpolation between frames`,
|
|
554
618
|
},
|
|
555
|
-
loop_playback: {
|
|
556
|
-
value: true,
|
|
557
|
-
description: `Loop trajectory playback`,
|
|
558
|
-
},
|
|
619
|
+
loop_playback: { value: true, description: `Loop trajectory playback` },
|
|
559
620
|
pause_on_hover: {
|
|
560
621
|
value: false,
|
|
561
622
|
description: `Pause playback when hovering over controls`,
|
|
@@ -564,10 +625,7 @@ export const SETTINGS_CONFIG = {
|
|
|
564
625
|
value: true,
|
|
565
626
|
description: `Highlight current frame in timeline`,
|
|
566
627
|
},
|
|
567
|
-
show_frame_info: {
|
|
568
|
-
value: true,
|
|
569
|
-
description: `Show frame information overlay`,
|
|
570
|
-
},
|
|
628
|
+
show_frame_info: { value: true, description: `Show frame information overlay` },
|
|
571
629
|
// Performance
|
|
572
630
|
max_frames_in_memory: {
|
|
573
631
|
value: 1000,
|
|
@@ -591,25 +649,16 @@ export const SETTINGS_CONFIG = {
|
|
|
591
649
|
minimum: 0,
|
|
592
650
|
maximum: 100,
|
|
593
651
|
},
|
|
594
|
-
cache_parsed_data: {
|
|
595
|
-
value: true,
|
|
596
|
-
description: `Cache parsed trajectory data`,
|
|
597
|
-
},
|
|
652
|
+
cache_parsed_data: { value: true, description: `Cache parsed trajectory data` },
|
|
598
653
|
},
|
|
599
654
|
// Histogram specific
|
|
600
655
|
histogram: {
|
|
601
656
|
mode: {
|
|
602
657
|
value: `overlay`,
|
|
603
658
|
description: `Histogram display mode. 'overlay' shows multiple histograms in the same plot, 'single' shows a single histogram`,
|
|
604
|
-
enum: {
|
|
605
|
-
overlay: `Overlay`,
|
|
606
|
-
single: `Single`,
|
|
607
|
-
},
|
|
608
|
-
},
|
|
609
|
-
show_legend: {
|
|
610
|
-
value: true,
|
|
611
|
-
description: `Show legend in histogram plots`,
|
|
659
|
+
enum: { overlay: `Overlay`, single: `Single` },
|
|
612
660
|
},
|
|
661
|
+
show_legend: { value: true, description: `Show legend in histogram plots` },
|
|
613
662
|
bin_count: {
|
|
614
663
|
value: 100,
|
|
615
664
|
description: `Number of bins for histogram plots`,
|
|
@@ -617,10 +666,7 @@ export const SETTINGS_CONFIG = {
|
|
|
617
666
|
maximum: 1000,
|
|
618
667
|
},
|
|
619
668
|
bar: {
|
|
620
|
-
color: {
|
|
621
|
-
value: `#4A9EFF`,
|
|
622
|
-
description: `Histogram bar fill color`,
|
|
623
|
-
},
|
|
669
|
+
color: { value: `#4A9EFF`, description: `Histogram bar fill color` },
|
|
624
670
|
opacity: {
|
|
625
671
|
value: 0.7,
|
|
626
672
|
description: `Histogram bar opacity`,
|
|
@@ -633,10 +679,7 @@ export const SETTINGS_CONFIG = {
|
|
|
633
679
|
minimum: 0,
|
|
634
680
|
maximum: 5,
|
|
635
681
|
},
|
|
636
|
-
stroke_color: {
|
|
637
|
-
value: `#000000`,
|
|
638
|
-
description: `Histogram bar stroke color`,
|
|
639
|
-
},
|
|
682
|
+
stroke_color: { value: `#000000`, description: `Histogram bar stroke color` },
|
|
640
683
|
stroke_opacity: {
|
|
641
684
|
value: 0.5,
|
|
642
685
|
description: `Histogram bar stroke opacity`,
|
|
@@ -649,10 +692,7 @@ export const SETTINGS_CONFIG = {
|
|
|
649
692
|
// Bar plot specific
|
|
650
693
|
bar: {
|
|
651
694
|
bar: {
|
|
652
|
-
color: {
|
|
653
|
-
value: `#4A9EFF`,
|
|
654
|
-
description: `Bar plot fill color`,
|
|
655
|
-
},
|
|
695
|
+
color: { value: `#4A9EFF`, description: `Bar plot fill color` },
|
|
656
696
|
opacity: {
|
|
657
697
|
value: 0.6,
|
|
658
698
|
description: `Bar plot opacity (overlay mode)`,
|
|
@@ -667,16 +707,8 @@ export const SETTINGS_CONFIG = {
|
|
|
667
707
|
},
|
|
668
708
|
},
|
|
669
709
|
line: {
|
|
670
|
-
width: {
|
|
671
|
-
|
|
672
|
-
description: `Bar plot line width`,
|
|
673
|
-
minimum: 0.5,
|
|
674
|
-
maximum: 10,
|
|
675
|
-
},
|
|
676
|
-
color: {
|
|
677
|
-
value: `#4A9EFF`,
|
|
678
|
-
description: `Bar plot line color`,
|
|
679
|
-
},
|
|
710
|
+
width: { value: 2, description: `Bar plot line width`, minimum: 0.5, maximum: 10 },
|
|
711
|
+
color: { value: `#4A9EFF`, description: `Bar plot line color` },
|
|
680
712
|
},
|
|
681
713
|
display: DISPLAY_CONFIG,
|
|
682
714
|
},
|
|
@@ -702,10 +734,7 @@ export const SETTINGS_CONFIG = {
|
|
|
702
734
|
value: true,
|
|
703
735
|
description: `Show outlier points beyond the whiskers`,
|
|
704
736
|
},
|
|
705
|
-
show_mean: {
|
|
706
|
-
value: false,
|
|
707
|
-
description: `Show the mean marker inside each box`,
|
|
708
|
-
},
|
|
737
|
+
show_mean: { value: false, description: `Show the mean marker inside each box` },
|
|
709
738
|
kind: {
|
|
710
739
|
value: `box`,
|
|
711
740
|
description: `Glyph to draw per series: box, violin (KDE density), or both`,
|
|
@@ -734,16 +763,8 @@ export const SETTINGS_CONFIG = {
|
|
|
734
763
|
maximum: 1,
|
|
735
764
|
},
|
|
736
765
|
box: {
|
|
737
|
-
color: {
|
|
738
|
-
|
|
739
|
-
description: `Box fill color`,
|
|
740
|
-
},
|
|
741
|
-
opacity: {
|
|
742
|
-
value: 0.6,
|
|
743
|
-
description: `Box fill opacity`,
|
|
744
|
-
minimum: 0,
|
|
745
|
-
maximum: 1,
|
|
746
|
-
},
|
|
766
|
+
color: { value: `#4A9EFF`, description: `Box fill color` },
|
|
767
|
+
opacity: { value: 0.6, description: `Box fill opacity`, minimum: 0, maximum: 1 },
|
|
747
768
|
stroke_width: {
|
|
748
769
|
value: 0.5,
|
|
749
770
|
description: `Box outline width`,
|
|
@@ -751,7 +772,7 @@ export const SETTINGS_CONFIG = {
|
|
|
751
772
|
maximum: 5,
|
|
752
773
|
},
|
|
753
774
|
stroke_color: {
|
|
754
|
-
value:
|
|
775
|
+
value: `var(--text-color, black)`, // theme-responsive like axis/grid colors
|
|
755
776
|
description: `Box outline color`,
|
|
756
777
|
},
|
|
757
778
|
border_radius: {
|
|
@@ -762,14 +783,9 @@ export const SETTINGS_CONFIG = {
|
|
|
762
783
|
},
|
|
763
784
|
},
|
|
764
785
|
whisker: {
|
|
765
|
-
width: {
|
|
766
|
-
value: 1,
|
|
767
|
-
description: `Whisker line width`,
|
|
768
|
-
minimum: 0.5,
|
|
769
|
-
maximum: 5,
|
|
770
|
-
},
|
|
786
|
+
width: { value: 1, description: `Whisker line width`, minimum: 0.5, maximum: 5 },
|
|
771
787
|
color: {
|
|
772
|
-
value:
|
|
788
|
+
value: `var(--text-color, black)`, // theme-responsive like axis/grid colors
|
|
773
789
|
description: `Whisker line color`,
|
|
774
790
|
},
|
|
775
791
|
cap_fraction: {
|
|
@@ -780,14 +796,9 @@ export const SETTINGS_CONFIG = {
|
|
|
780
796
|
},
|
|
781
797
|
},
|
|
782
798
|
median: {
|
|
783
|
-
width: {
|
|
784
|
-
value: 1.5,
|
|
785
|
-
description: `Median line width`,
|
|
786
|
-
minimum: 0.5,
|
|
787
|
-
maximum: 6,
|
|
788
|
-
},
|
|
799
|
+
width: { value: 1.5, description: `Median line width`, minimum: 0.5, maximum: 6 },
|
|
789
800
|
color: {
|
|
790
|
-
value:
|
|
801
|
+
value: `var(--text-color, black)`, // theme-responsive like axis/grid colors
|
|
791
802
|
description: `Median line color`,
|
|
792
803
|
},
|
|
793
804
|
},
|
|
@@ -812,12 +823,7 @@ export const SETTINGS_CONFIG = {
|
|
|
812
823
|
},
|
|
813
824
|
},
|
|
814
825
|
violin: {
|
|
815
|
-
opacity: {
|
|
816
|
-
value: 0.5,
|
|
817
|
-
description: `Violin fill opacity`,
|
|
818
|
-
minimum: 0,
|
|
819
|
-
maximum: 1,
|
|
820
|
-
},
|
|
826
|
+
opacity: { value: 0.5, description: `Violin fill opacity`, minimum: 0, maximum: 1 },
|
|
821
827
|
stroke_width: {
|
|
822
828
|
value: 1,
|
|
823
829
|
description: `Violin outline width`,
|
|
@@ -857,10 +863,7 @@ export const SETTINGS_CONFIG = {
|
|
|
857
863
|
minimum: 0.05,
|
|
858
864
|
maximum: 1,
|
|
859
865
|
},
|
|
860
|
-
show_node_labels: {
|
|
861
|
-
value: true,
|
|
862
|
-
description: `Show node labels next to each node`,
|
|
863
|
-
},
|
|
866
|
+
show_node_labels: { value: true, description: `Show node labels next to each node` },
|
|
864
867
|
iterations: {
|
|
865
868
|
value: 6,
|
|
866
869
|
description: `Number of d3-sankey relaxation iterations for node positioning`,
|
|
@@ -870,22 +873,12 @@ export const SETTINGS_CONFIG = {
|
|
|
870
873
|
},
|
|
871
874
|
// Sunburst chart specific
|
|
872
875
|
sunburst: {
|
|
876
|
+
...hierarchy_chart_settings(`arc`, `rings`, `Clicking a branch arc zooms into that subtree (center circle zooms out)`),
|
|
873
877
|
shape: {
|
|
874
878
|
value: `sunburst`,
|
|
875
879
|
description: `Chart geometry: polar rings (sunburst) or stacked rows (icicle)`,
|
|
876
880
|
enum: { sunburst: `Sunburst`, icicle: `Icicle` },
|
|
877
881
|
},
|
|
878
|
-
value_mode: {
|
|
879
|
-
value: `leaf-sum`,
|
|
880
|
-
description: `How node values are interpreted (plotly branchvalues semantics): leaf-sum ignores parent values, total treats every value as authoritative, remainder adds a node's own value on top of its children`,
|
|
881
|
-
enum: { 'leaf-sum': `Leaf sum`, total: `Total`, remainder: `Remainder` },
|
|
882
|
-
},
|
|
883
|
-
max_depth: {
|
|
884
|
-
value: 0,
|
|
885
|
-
description: `Number of rings shown below the current zoom root (0 = all)`,
|
|
886
|
-
minimum: 0,
|
|
887
|
-
maximum: 10,
|
|
888
|
-
},
|
|
889
882
|
inner_radius: {
|
|
890
883
|
value: 0.25,
|
|
891
884
|
description: `Center hole size as fraction of the outer radius`,
|
|
@@ -898,16 +891,6 @@ export const SETTINGS_CONFIG = {
|
|
|
898
891
|
minimum: 0,
|
|
899
892
|
maximum: 4,
|
|
900
893
|
},
|
|
901
|
-
min_fraction: {
|
|
902
|
-
value: 0,
|
|
903
|
-
description: `Group sibling arcs smaller than this fraction of the total into one 'Other' slice per parent (0 = off)`,
|
|
904
|
-
minimum: 0,
|
|
905
|
-
maximum: 0.2,
|
|
906
|
-
},
|
|
907
|
-
show_labels: {
|
|
908
|
-
value: true,
|
|
909
|
-
description: `Show labels on arcs large enough to fit them`,
|
|
910
|
-
},
|
|
911
894
|
label_rotation: {
|
|
912
895
|
value: `auto`,
|
|
913
896
|
description: `Arc label orientation (auto picks radial/tangential per arc)`,
|
|
@@ -918,24 +901,27 @@ export const SETTINGS_CONFIG = {
|
|
|
918
901
|
horizontal: `Horizontal`,
|
|
919
902
|
},
|
|
920
903
|
},
|
|
921
|
-
|
|
922
|
-
|
|
923
|
-
|
|
924
|
-
|
|
925
|
-
|
|
926
|
-
|
|
927
|
-
|
|
928
|
-
|
|
929
|
-
|
|
930
|
-
},
|
|
904
|
+
},
|
|
905
|
+
// Treemap chart specific
|
|
906
|
+
treemap: {
|
|
907
|
+
...hierarchy_chart_settings(`cell`, `levels`, `Clicking any cell zooms into it, plotly-style (the breadcrumb pathbar zooms out)`),
|
|
908
|
+
padding_inner: {
|
|
909
|
+
value: 0,
|
|
910
|
+
description: `Pixel gap between sibling cells (0 = cells share a single stroke divider; gaps > 0 show the parent's fill)`,
|
|
911
|
+
minimum: 0,
|
|
912
|
+
maximum: 10,
|
|
931
913
|
},
|
|
932
|
-
|
|
933
|
-
value:
|
|
934
|
-
description: `
|
|
914
|
+
padding_top: {
|
|
915
|
+
value: 18,
|
|
916
|
+
description: `Pixel strip reserved at the top of branch cells for their label (0 = no headers)`,
|
|
917
|
+
minimum: 0,
|
|
918
|
+
maximum: 40,
|
|
935
919
|
},
|
|
936
|
-
|
|
937
|
-
value:
|
|
938
|
-
description: `
|
|
920
|
+
padding_outer: {
|
|
921
|
+
value: 3,
|
|
922
|
+
description: `Pixel inset of child cells within their parent's left/right/bottom edges, so parents visibly enclose their subtree (plotly marker.pad)`,
|
|
923
|
+
minimum: 0,
|
|
924
|
+
maximum: 10,
|
|
939
925
|
},
|
|
940
926
|
},
|
|
941
927
|
// Composition specific
|
|
@@ -943,11 +929,7 @@ export const SETTINGS_CONFIG = {
|
|
|
943
929
|
display_mode: {
|
|
944
930
|
value: `pie`,
|
|
945
931
|
description: `Display mode for composition data`,
|
|
946
|
-
enum: {
|
|
947
|
-
pie: `Pie`,
|
|
948
|
-
bubble: `Bubble`,
|
|
949
|
-
bar: `Bar`,
|
|
950
|
-
},
|
|
932
|
+
enum: { pie: `Pie`, bubble: `Bubble`, bar: `Bar` },
|
|
951
933
|
},
|
|
952
934
|
color_scheme: {
|
|
953
935
|
value: `Vesta`,
|
|
@@ -969,30 +951,18 @@ export const SETTINGS_CONFIG = {
|
|
|
969
951
|
description: `Default symbol type for scatter plots`,
|
|
970
952
|
enum: Object.fromEntries(symbol_names.map((name) => [name, name])),
|
|
971
953
|
},
|
|
972
|
-
show_legend: {
|
|
973
|
-
|
|
974
|
-
|
|
975
|
-
},
|
|
976
|
-
show_points: {
|
|
977
|
-
value: true,
|
|
978
|
-
description: `Show points in scatter plots`,
|
|
979
|
-
},
|
|
980
|
-
show_lines: {
|
|
981
|
-
value: true,
|
|
982
|
-
description: `Show connecting lines in scatter plots`,
|
|
983
|
-
},
|
|
954
|
+
show_legend: { value: true, description: `Show legend in scatter plots` },
|
|
955
|
+
show_points: { value: true, description: `Show points in scatter plots` },
|
|
956
|
+
show_lines: { value: true, description: `Show connecting lines in scatter plots` },
|
|
984
957
|
display: DISPLAY_CONFIG,
|
|
985
958
|
point: {
|
|
986
959
|
size: {
|
|
987
|
-
value:
|
|
960
|
+
value: 3,
|
|
988
961
|
description: `Point size for scatter plots`,
|
|
989
962
|
minimum: 1,
|
|
990
963
|
maximum: 20,
|
|
991
964
|
},
|
|
992
|
-
color: {
|
|
993
|
-
value: `#4A9EFF`,
|
|
994
|
-
description: `Default color for scatter plot points`,
|
|
995
|
-
},
|
|
965
|
+
color: { value: `#4A9EFF`, description: `Default color for scatter plot points` },
|
|
996
966
|
opacity: {
|
|
997
967
|
value: 1,
|
|
998
968
|
description: `Opacity of scatter plot points`,
|
|
@@ -1023,10 +993,7 @@ export const SETTINGS_CONFIG = {
|
|
|
1023
993
|
minimum: 0.5,
|
|
1024
994
|
maximum: 10,
|
|
1025
995
|
},
|
|
1026
|
-
color: {
|
|
1027
|
-
value: `#4A9EFF`,
|
|
1028
|
-
description: `Default color for scatter plot lines`,
|
|
1029
|
-
},
|
|
996
|
+
color: { value: `#4A9EFF`, description: `Default color for scatter plot lines` },
|
|
1030
997
|
opacity: {
|
|
1031
998
|
value: 1,
|
|
1032
999
|
description: `Opacity of scatter plot lines`,
|
|
@@ -1047,52 +1014,22 @@ export const SETTINGS_CONFIG = {
|
|
|
1047
1014
|
minimum: 0,
|
|
1048
1015
|
maximum: 2000,
|
|
1049
1016
|
},
|
|
1050
|
-
enable_zoom: {
|
|
1051
|
-
value: true,
|
|
1052
|
-
description: `Enable zooming in plots`,
|
|
1053
|
-
},
|
|
1017
|
+
enable_zoom: { value: true, description: `Enable zooming in plots` },
|
|
1054
1018
|
zoom_factor: {
|
|
1055
1019
|
value: 1.5,
|
|
1056
1020
|
description: `Zoom factor for plot interactions`,
|
|
1057
1021
|
minimum: 1.1,
|
|
1058
1022
|
maximum: 5.0,
|
|
1059
1023
|
},
|
|
1060
|
-
auto_fit_range: {
|
|
1061
|
-
|
|
1062
|
-
|
|
1063
|
-
},
|
|
1064
|
-
|
|
1065
|
-
|
|
1066
|
-
|
|
1067
|
-
},
|
|
1068
|
-
|
|
1069
|
-
value: true,
|
|
1070
|
-
description: `Show axis labels in plots`,
|
|
1071
|
-
},
|
|
1072
|
-
show_x_zero_line: {
|
|
1073
|
-
value: true,
|
|
1074
|
-
description: `Show X-axis zero reference line`,
|
|
1075
|
-
},
|
|
1076
|
-
show_y_zero_line: {
|
|
1077
|
-
value: true,
|
|
1078
|
-
description: `Show Y-axis zero reference line`,
|
|
1079
|
-
},
|
|
1080
|
-
show_x_grid: {
|
|
1081
|
-
value: true,
|
|
1082
|
-
description: `Show X-axis grid lines`,
|
|
1083
|
-
},
|
|
1084
|
-
show_x2_grid: {
|
|
1085
|
-
value: false,
|
|
1086
|
-
description: `Show secondary X-axis grid lines`,
|
|
1087
|
-
},
|
|
1088
|
-
show_y_grid: {
|
|
1089
|
-
value: true,
|
|
1090
|
-
description: `Show Y-axis grid lines`,
|
|
1091
|
-
},
|
|
1092
|
-
show_y2_grid: {
|
|
1093
|
-
value: true,
|
|
1094
|
-
description: `Show secondary Y-axis grid lines`,
|
|
1095
|
-
},
|
|
1024
|
+
auto_fit_range: { value: true, description: `Automatically fit plot range to data` },
|
|
1025
|
+
grid_lines: { value: true, description: `Show grid lines in plots` },
|
|
1026
|
+
axis_labels: { value: true, description: `Show axis labels in plots` },
|
|
1027
|
+
show_x_zero_line: { value: true, description: `Show X-axis zero reference line` },
|
|
1028
|
+
show_y_zero_line: { value: true, description: `Show Y-axis zero reference line` },
|
|
1029
|
+
show_x_grid: { value: true, description: `Show X-axis grid lines` },
|
|
1030
|
+
show_x2_grid: { value: false, description: `Show secondary X-axis grid lines` },
|
|
1031
|
+
show_y_grid: { value: true, description: `Show Y-axis grid lines` },
|
|
1032
|
+
show_y2_grid: { value: true, description: `Show secondary Y-axis grid lines` },
|
|
1096
1033
|
x_format: {
|
|
1097
1034
|
value: `.2~s`,
|
|
1098
1035
|
description: `Number format for X-axis ticks (D3 format specifier)`,
|
|
@@ -1112,18 +1049,12 @@ export const SETTINGS_CONFIG = {
|
|
|
1112
1049
|
x_scale_type: {
|
|
1113
1050
|
value: `linear`,
|
|
1114
1051
|
description: `Scale type for X-axis`,
|
|
1115
|
-
enum: {
|
|
1116
|
-
linear: `Linear`,
|
|
1117
|
-
log: `Log`,
|
|
1118
|
-
},
|
|
1052
|
+
enum: { linear: `Linear`, log: `Log` },
|
|
1119
1053
|
},
|
|
1120
1054
|
y_scale_type: {
|
|
1121
1055
|
value: `linear`,
|
|
1122
1056
|
description: `Scale type for Y-axis`,
|
|
1123
|
-
enum: {
|
|
1124
|
-
linear: `Linear`,
|
|
1125
|
-
log: `Log`,
|
|
1126
|
-
},
|
|
1057
|
+
enum: { linear: `Linear`, log: `Log` },
|
|
1127
1058
|
},
|
|
1128
1059
|
x_ticks: {
|
|
1129
1060
|
value: 8,
|
|
@@ -1140,75 +1071,20 @@ export const SETTINGS_CONFIG = {
|
|
|
1140
1071
|
},
|
|
1141
1072
|
convex_hull: {
|
|
1142
1073
|
// Convex hull defaults (binary/ternary/quaternary)
|
|
1143
|
-
binary: {
|
|
1144
|
-
camera_zoom:
|
|
1145
|
-
|
|
1146
|
-
|
|
1147
|
-
|
|
1148
|
-
|
|
1149
|
-
},
|
|
1150
|
-
camera_center_x: {
|
|
1151
|
-
value: 0,
|
|
1152
|
-
description: `Initial X center for binary (2D) convex hull`,
|
|
1153
|
-
},
|
|
1154
|
-
camera_center_y: {
|
|
1155
|
-
value: 0,
|
|
1156
|
-
description: `Initial Y center for binary (2D) convex hull`,
|
|
1157
|
-
},
|
|
1158
|
-
color_mode: {
|
|
1159
|
-
value: `energy`,
|
|
1160
|
-
description: `Color mode for 2D convex hull points`,
|
|
1161
|
-
enum: {
|
|
1162
|
-
stability: `Stability`,
|
|
1163
|
-
energy: `Energy`,
|
|
1164
|
-
},
|
|
1165
|
-
},
|
|
1166
|
-
color_scale: {
|
|
1167
|
-
value: `interpolateViridis`,
|
|
1168
|
-
description: `D3 interpolate color scale for 2D convex hull energy mode`,
|
|
1169
|
-
},
|
|
1170
|
-
show_stable: {
|
|
1171
|
-
value: true,
|
|
1172
|
-
description: `Show stable phases in 2D convex hull`,
|
|
1173
|
-
},
|
|
1174
|
-
show_unstable: {
|
|
1175
|
-
value: true,
|
|
1176
|
-
description: `Show unstable phases in 2D convex hull`,
|
|
1177
|
-
},
|
|
1178
|
-
show_stable_labels: {
|
|
1179
|
-
value: true,
|
|
1180
|
-
description: `Show labels for stable phases in 2D convex hull`,
|
|
1181
|
-
},
|
|
1182
|
-
show_unstable_labels: {
|
|
1183
|
-
value: false,
|
|
1184
|
-
description: `Show labels for unstable phases in 2D convex hull`,
|
|
1185
|
-
},
|
|
1186
|
-
max_hull_dist_show_phases: {
|
|
1187
|
-
value: 0.1,
|
|
1188
|
-
description: `Max eV/atom above hull for showing unstable entries in 2D convex hull`,
|
|
1189
|
-
minimum: 0,
|
|
1190
|
-
maximum: 2,
|
|
1191
|
-
},
|
|
1192
|
-
max_hull_dist_show_labels: {
|
|
1193
|
-
value: 0.1,
|
|
1194
|
-
description: `Max eV/atom above hull for labeling unstable entries in 2D convex hull`,
|
|
1195
|
-
minimum: 0,
|
|
1196
|
-
maximum: 2,
|
|
1197
|
-
},
|
|
1198
|
-
fullscreen: {
|
|
1199
|
-
value: false,
|
|
1200
|
-
description: `Start in fullscreen for 2D convex hull`,
|
|
1201
|
-
},
|
|
1202
|
-
info_pane_open: {
|
|
1203
|
-
value: false,
|
|
1204
|
-
description: `Info pane open by default for 2D convex hull`,
|
|
1205
|
-
},
|
|
1206
|
-
legend_pane_open: {
|
|
1207
|
-
value: false,
|
|
1208
|
-
description: `Legend pane open by default for 2D convex hull`,
|
|
1209
|
-
},
|
|
1210
|
-
},
|
|
1074
|
+
binary: convex_hull_settings(`binary`, {
|
|
1075
|
+
camera_zoom: 1.0,
|
|
1076
|
+
camera_zoom_max: 10,
|
|
1077
|
+
camera_center_y: 0,
|
|
1078
|
+
max_hull_dist_show_phases: 0.1,
|
|
1079
|
+
}),
|
|
1211
1080
|
ternary: {
|
|
1081
|
+
...convex_hull_settings(`ternary`, {
|
|
1082
|
+
camera_zoom: 1.5,
|
|
1083
|
+
camera_zoom_max: 10,
|
|
1084
|
+
camera_center_y: -50,
|
|
1085
|
+
max_hull_dist_show_phases: 0.5,
|
|
1086
|
+
}),
|
|
1087
|
+
...hull_face_settings(`3D`, { opacity: 0.3, color_mode: `uniform` }),
|
|
1212
1088
|
camera_elevation: {
|
|
1213
1089
|
value: 45,
|
|
1214
1090
|
description: `Initial camera elevation (deg) for ternary (3D) convex hull`,
|
|
@@ -1221,98 +1097,15 @@ export const SETTINGS_CONFIG = {
|
|
|
1221
1097
|
minimum: -360,
|
|
1222
1098
|
maximum: 360,
|
|
1223
1099
|
},
|
|
1224
|
-
camera_zoom: {
|
|
1225
|
-
value: 1.5,
|
|
1226
|
-
description: `Initial camera zoom for ternary (3D) convex hull`,
|
|
1227
|
-
minimum: 0.1,
|
|
1228
|
-
maximum: 10,
|
|
1229
|
-
},
|
|
1230
|
-
camera_center_x: {
|
|
1231
|
-
value: 0,
|
|
1232
|
-
description: `Initial X center for ternary (3D) convex hull`,
|
|
1233
|
-
},
|
|
1234
|
-
camera_center_y: {
|
|
1235
|
-
value: -50,
|
|
1236
|
-
description: `Initial Y center for ternary (3D) convex hull`,
|
|
1237
|
-
},
|
|
1238
|
-
color_mode: {
|
|
1239
|
-
value: `energy`,
|
|
1240
|
-
description: `Color mode for 3D convex hull points`,
|
|
1241
|
-
enum: {
|
|
1242
|
-
stability: `Stability`,
|
|
1243
|
-
energy: `Energy`,
|
|
1244
|
-
},
|
|
1245
|
-
},
|
|
1246
|
-
color_scale: {
|
|
1247
|
-
value: `interpolateViridis`,
|
|
1248
|
-
description: `D3 interpolate color scale for 3D convex hull energy mode`,
|
|
1249
|
-
},
|
|
1250
|
-
show_stable: {
|
|
1251
|
-
value: true,
|
|
1252
|
-
description: `Show stable phases in 3D convex hull`,
|
|
1253
|
-
},
|
|
1254
|
-
show_unstable: {
|
|
1255
|
-
value: true,
|
|
1256
|
-
description: `Show unstable phases in 3D convex hull`,
|
|
1257
|
-
},
|
|
1258
|
-
show_stable_labels: {
|
|
1259
|
-
value: true,
|
|
1260
|
-
description: `Show labels for stable phases in 3D convex hull`,
|
|
1261
|
-
},
|
|
1262
|
-
show_unstable_labels: {
|
|
1263
|
-
value: false,
|
|
1264
|
-
description: `Show labels for unstable phases in 3D convex hull`,
|
|
1265
|
-
},
|
|
1266
|
-
max_hull_dist_show_phases: {
|
|
1267
|
-
value: 0.5,
|
|
1268
|
-
description: `Max eV/atom above hull for showing unstable entries in 3D convex hull`,
|
|
1269
|
-
minimum: 0,
|
|
1270
|
-
maximum: 2,
|
|
1271
|
-
},
|
|
1272
|
-
max_hull_dist_show_labels: {
|
|
1273
|
-
value: 0.1,
|
|
1274
|
-
description: `Max eV/atom above hull for labeling unstable entries in 3D convex hull`,
|
|
1275
|
-
minimum: 0,
|
|
1276
|
-
maximum: 2,
|
|
1277
|
-
},
|
|
1278
|
-
show_hull_faces: {
|
|
1279
|
-
value: true,
|
|
1280
|
-
description: `Render lower hull faces in 3D convex hull`,
|
|
1281
|
-
},
|
|
1282
|
-
hull_face_color: {
|
|
1283
|
-
value: `#4caf50`,
|
|
1284
|
-
description: `Color for lower hull faces in 3D convex hull`,
|
|
1285
|
-
},
|
|
1286
|
-
hull_face_opacity: {
|
|
1287
|
-
value: 0.3,
|
|
1288
|
-
description: `Opacity for hull faces in 3D convex hull (0-1)`,
|
|
1289
|
-
minimum: 0,
|
|
1290
|
-
maximum: 1,
|
|
1291
|
-
},
|
|
1292
|
-
hull_face_color_mode: {
|
|
1293
|
-
value: `uniform`,
|
|
1294
|
-
description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
|
|
1295
|
-
enum: {
|
|
1296
|
-
uniform: `Uniform`,
|
|
1297
|
-
formation_energy: `Formation energy`,
|
|
1298
|
-
dominant_element: `Dominant element`,
|
|
1299
|
-
facet_index: `Facet index`,
|
|
1300
|
-
},
|
|
1301
|
-
},
|
|
1302
|
-
fullscreen: {
|
|
1303
|
-
value: false,
|
|
1304
|
-
description: `Start in fullscreen for 3D convex hull`,
|
|
1305
|
-
},
|
|
1306
|
-
info_pane_open: {
|
|
1307
|
-
value: false,
|
|
1308
|
-
description: `Info pane open by default for 3D convex hull`,
|
|
1309
|
-
},
|
|
1310
|
-
legend_pane_open: {
|
|
1311
|
-
value: false,
|
|
1312
|
-
description: `Legend pane open by default for 3D convex hull`,
|
|
1313
|
-
},
|
|
1314
1100
|
},
|
|
1315
1101
|
quaternary: {
|
|
1102
|
+
...convex_hull_settings(`quaternary`, {
|
|
1103
|
+
camera_zoom: 1.4,
|
|
1104
|
+
camera_zoom_max: 20,
|
|
1105
|
+
camera_center_y: 20,
|
|
1106
|
+
max_hull_dist_show_phases: 0.1,
|
|
1107
|
+
}),
|
|
1108
|
+
...hull_face_settings(`4D`, { opacity: 0.03, color_mode: `dominant_element` }),
|
|
1316
1109
|
camera_rotation_x: {
|
|
1317
1110
|
value: -0.6,
|
|
1318
1111
|
description: `Initial camera X rotation (rad) for quaternary (4D) convex hull`,
|
|
@@ -1325,96 +1118,6 @@ export const SETTINGS_CONFIG = {
|
|
|
1325
1118
|
minimum: -6.283,
|
|
1326
1119
|
maximum: 6.283,
|
|
1327
1120
|
},
|
|
1328
|
-
camera_zoom: {
|
|
1329
|
-
value: 1.4,
|
|
1330
|
-
description: `Initial camera zoom for quaternary (4D) convex hull`,
|
|
1331
|
-
minimum: 0.1,
|
|
1332
|
-
maximum: 20,
|
|
1333
|
-
},
|
|
1334
|
-
camera_center_x: {
|
|
1335
|
-
value: 0,
|
|
1336
|
-
description: `Initial X center for quaternary (4D) convex hull`,
|
|
1337
|
-
},
|
|
1338
|
-
camera_center_y: {
|
|
1339
|
-
value: 20,
|
|
1340
|
-
description: `Initial Y center for quaternary (4D) convex hull`,
|
|
1341
|
-
},
|
|
1342
|
-
color_mode: {
|
|
1343
|
-
value: `energy`,
|
|
1344
|
-
description: `Color mode for 4D convex hull points`,
|
|
1345
|
-
enum: {
|
|
1346
|
-
stability: `Stability`,
|
|
1347
|
-
energy: `Energy`,
|
|
1348
|
-
},
|
|
1349
|
-
},
|
|
1350
|
-
color_scale: {
|
|
1351
|
-
value: `interpolateViridis`,
|
|
1352
|
-
description: `D3 interpolate color scale for 4D convex hull energy mode`,
|
|
1353
|
-
},
|
|
1354
|
-
show_stable: {
|
|
1355
|
-
value: true,
|
|
1356
|
-
description: `Show stable phases in 4D convex hull`,
|
|
1357
|
-
},
|
|
1358
|
-
show_unstable: {
|
|
1359
|
-
value: true,
|
|
1360
|
-
description: `Show unstable phases in 4D convex hull`,
|
|
1361
|
-
},
|
|
1362
|
-
show_stable_labels: {
|
|
1363
|
-
value: true,
|
|
1364
|
-
description: `Show labels for stable phases in 4D convex hull`,
|
|
1365
|
-
},
|
|
1366
|
-
show_unstable_labels: {
|
|
1367
|
-
value: false,
|
|
1368
|
-
description: `Show labels for unstable phases in 4D convex hull`,
|
|
1369
|
-
},
|
|
1370
|
-
show_hull_faces: {
|
|
1371
|
-
value: true,
|
|
1372
|
-
description: `Show convex hull faces in 4D convex hull`,
|
|
1373
|
-
},
|
|
1374
|
-
hull_face_color: {
|
|
1375
|
-
value: `#4caf50`,
|
|
1376
|
-
description: `Color for hull faces in 4D convex hull`,
|
|
1377
|
-
},
|
|
1378
|
-
hull_face_opacity: {
|
|
1379
|
-
value: 0.03,
|
|
1380
|
-
description: `Opacity for hull faces in 4D convex hull (0-1)`,
|
|
1381
|
-
minimum: 0,
|
|
1382
|
-
maximum: 1,
|
|
1383
|
-
},
|
|
1384
|
-
hull_face_color_mode: {
|
|
1385
|
-
value: `dominant_element`,
|
|
1386
|
-
description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
|
|
1387
|
-
enum: {
|
|
1388
|
-
uniform: `Uniform`,
|
|
1389
|
-
formation_energy: `Formation energy`,
|
|
1390
|
-
dominant_element: `Dominant element`,
|
|
1391
|
-
facet_index: `Facet index`,
|
|
1392
|
-
},
|
|
1393
|
-
},
|
|
1394
|
-
max_hull_dist_show_phases: {
|
|
1395
|
-
value: 0.1,
|
|
1396
|
-
description: `Max eV/atom above hull for showing unstable entries in 4D convex hull`,
|
|
1397
|
-
minimum: 0,
|
|
1398
|
-
maximum: 2,
|
|
1399
|
-
},
|
|
1400
|
-
max_hull_dist_show_labels: {
|
|
1401
|
-
value: 0.1,
|
|
1402
|
-
description: `Max eV/atom above hull for labeling unstable entries in 4D convex hull`,
|
|
1403
|
-
minimum: 0,
|
|
1404
|
-
maximum: 2,
|
|
1405
|
-
},
|
|
1406
|
-
fullscreen: {
|
|
1407
|
-
value: false,
|
|
1408
|
-
description: `Start in fullscreen for 4D convex hull`,
|
|
1409
|
-
},
|
|
1410
|
-
info_pane_open: {
|
|
1411
|
-
value: false,
|
|
1412
|
-
description: `Info pane open by default for 4D convex hull`,
|
|
1413
|
-
},
|
|
1414
|
-
legend_pane_open: {
|
|
1415
|
-
value: false,
|
|
1416
|
-
description: `Legend pane open by default for 4D convex hull`,
|
|
1417
|
-
},
|
|
1418
1121
|
},
|
|
1419
1122
|
},
|
|
1420
1123
|
};
|
|
@@ -1448,5 +1151,6 @@ export const merge = (user) => ({
|
|
|
1448
1151
|
box: merge_nested(DEFAULTS.box, user?.box),
|
|
1449
1152
|
sankey: merge_nested(DEFAULTS.sankey, user?.sankey),
|
|
1450
1153
|
sunburst: merge_nested(DEFAULTS.sunburst, user?.sunburst),
|
|
1154
|
+
treemap: merge_nested(DEFAULTS.treemap, user?.treemap),
|
|
1451
1155
|
convex_hull: merge_nested(DEFAULTS.convex_hull, user?.convex_hull),
|
|
1452
1156
|
});
|