matterviz 0.4.2 → 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/FilePicker.svelte +40 -50
- package/dist/api/optimade.js +10 -7
- package/dist/app.css +15 -0
- package/dist/brillouin/BrillouinZone.svelte +18 -9
- package/dist/brillouin/BrillouinZoneScene.svelte +20 -29
- package/dist/brillouin/compute.js +10 -16
- package/dist/brillouin/geometry.js +2 -2
- package/dist/chempot-diagram/ChemPotDiagram.svelte +18 -15
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +17 -113
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +104 -264
- package/dist/chempot-diagram/async-compute.svelte.js +12 -13
- 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/export.js +1 -6
- package/dist/chempot-diagram/temperature.js +9 -10
- package/dist/composition/BarChart.svelte +7 -9
- package/dist/composition/Composition.svelte +3 -8
- package/dist/composition/Formula.svelte +2 -2
- package/dist/composition/FormulaFilter.svelte +27 -93
- package/dist/composition/format.js +6 -8
- package/dist/composition/parse.js +50 -105
- package/dist/constants.d.ts +0 -1
- package/dist/constants.js +6 -17
- package/dist/convex-hull/ConvexHull2D.svelte +0 -2
- package/dist/convex-hull/ConvexHull3D.svelte +19 -47
- package/dist/convex-hull/ConvexHull4D.svelte +65 -95
- package/dist/convex-hull/StructurePopup.svelte +1 -1
- package/dist/convex-hull/gas-thermodynamics.js +21 -53
- package/dist/convex-hull/helpers.js +1 -7
- package/dist/convex-hull/thermodynamics.js +19 -27
- package/dist/coordination/CoordinationBarPlot.svelte +12 -21
- package/dist/element/BohrAtom.svelte +0 -1
- package/dist/element/ElementTile.svelte +26 -44
- package/dist/element/data.d.ts +2 -0
- package/dist/element/data.js +5 -1
- package/dist/element/index.d.ts +1 -1
- package/dist/element/index.js +1 -1
- package/dist/fermi-surface/FermiSurface.svelte +22 -23
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +2 -6
- package/dist/fermi-surface/FermiSurfaceScene.svelte +32 -77
- package/dist/fermi-surface/compute.js +22 -55
- package/dist/fermi-surface/parse.js +38 -70
- 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 +57 -84
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +1 -1
- package/dist/index.d.ts +2 -2
- package/dist/index.js +1 -1
- package/dist/io/ExportPane.svelte +1 -1
- package/dist/io/decompress.d.ts +2 -0
- package/dist/io/decompress.js +3 -2
- package/dist/io/export.d.ts +7 -4
- package/dist/io/export.js +70 -18
- package/dist/io/file-drop.js +60 -35
- package/dist/io/url-drop.d.ts +2 -0
- package/dist/io/url-drop.js +28 -16
- package/dist/isosurface/Isosurface.svelte +687 -196
- package/dist/isosurface/Isosurface.svelte.d.ts +7 -1
- package/dist/isosurface/IsosurfaceControls.svelte +564 -85
- 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/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.js +1 -1
- package/dist/layout/InfoCard.svelte +1 -3
- package/dist/layout/SettingsSection.svelte +52 -61
- package/dist/layout/SettingsSection.svelte.d.ts +6 -7
- package/dist/layout/ViewerChrome.svelte +7 -1
- package/dist/layout/json-tree/JsonNode.svelte +14 -48
- package/dist/layout/json-tree/JsonTree.svelte +48 -95
- package/dist/layout/json-tree/JsonValue.svelte +3 -18
- package/dist/layout/json-tree/utils.d.ts +0 -3
- package/dist/layout/json-tree/utils.js +50 -179
- package/dist/marching-cubes.d.ts +8 -1
- package/dist/marching-cubes.js +115 -48
- package/dist/math.d.ts +3 -2
- package/dist/math.js +29 -38
- package/dist/overlays/ContextMenu.svelte +15 -32
- package/dist/overlays/DraggablePane.svelte +39 -58
- package/dist/overlays/DraggablePane.svelte.d.ts +1 -1
- package/dist/overlays/GlassChip.svelte +3 -1
- package/dist/periodic-table/PeriodicTableControls.svelte +26 -52
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +18 -34
- package/dist/phase-diagram/build-diagram.js +1 -6
- package/dist/phase-diagram/svg-to-diagram.js +9 -14
- package/dist/plot/bar/BarPlot.svelte +38 -42
- package/dist/plot/bar/SpacegroupBarPlot.svelte +18 -42
- package/dist/plot/box/BoxPlot.svelte +27 -23
- package/dist/plot/core/auto-place.d.ts +1 -1
- package/dist/plot/core/auto-place.js +1 -1
- package/dist/plot/core/data-transform.d.ts +1 -2
- package/dist/plot/core/data-transform.js +0 -10
- package/dist/plot/core/layout.d.ts +12 -5
- package/dist/plot/core/layout.js +37 -27
- 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/svg.js +0 -1
- package/dist/plot/core/utils/hierarchy-chart.d.ts +1 -0
- package/dist/plot/core/utils/hierarchy-chart.js +12 -0
- package/dist/plot/core/utils/hierarchy-labels.js +3 -2
- package/dist/plot/histogram/Histogram.svelte +21 -26
- package/dist/plot/sankey/sankey.js +13 -9
- package/dist/plot/scatter/BinnedScatterPlot.svelte +59 -43
- package/dist/plot/scatter/ScatterPlot.svelte +67 -52
- package/dist/plot/scatter/adaptive-density.d.ts +1 -1
- package/dist/plot/scatter/adaptive-density.js +36 -20
- package/dist/plot/sunburst/Sunburst.svelte +20 -20
- package/dist/plot/treemap/Treemap.svelte +175 -60
- package/dist/plot/treemap/Treemap.svelte.d.ts +6 -0
- package/dist/plot/treemap/index.d.ts +1 -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 +4 -2
- package/dist/plot/treemap/treemap.js +5 -2
- package/dist/rdf/RdfPlot.svelte +17 -35
- package/dist/rdf/calc-rdf.js +59 -44
- package/dist/rdf/index.d.ts +0 -1
- package/dist/sanitize.js +84 -26
- package/dist/scene/SceneCamera.svelte +1 -1
- package/dist/scene/SceneCamera.svelte.d.ts +1 -1
- 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.js +159 -482
- package/dist/spectral/Bands.svelte +151 -158
- package/dist/spectral/BrillouinBandsDos.svelte +4 -19
- package/dist/spectral/Dos.svelte +26 -24
- package/dist/spectral/helpers.js +40 -105
- package/dist/structure/AtomLegend.svelte +8 -13
- package/dist/structure/AtomLegend.svelte.d.ts +2 -3
- package/dist/structure/CellSelect.svelte +35 -10
- package/dist/structure/Structure.svelte +177 -99
- package/dist/structure/Structure.svelte.d.ts +1 -1
- package/dist/structure/StructureCarousel.svelte +10 -3
- package/dist/structure/StructureControls.svelte +8 -26
- package/dist/structure/StructureControls.svelte.d.ts +1 -1
- package/dist/structure/StructureInfoPane.svelte +65 -76
- package/dist/structure/StructureScene.svelte +75 -109
- package/dist/structure/StructureScene.svelte.d.ts +3 -1
- package/dist/structure/StructureViewport.svelte +120 -55
- package/dist/structure/StructureViewport.svelte.d.ts +3 -1
- package/dist/structure/atom-properties.d.ts +1 -1
- package/dist/structure/atom-properties.js +4 -3
- package/dist/structure/bond-order-perception.js +3 -8
- package/dist/structure/bonding.d.ts +0 -1
- package/dist/structure/bonding.js +16 -23
- package/dist/structure/export.js +50 -74
- package/dist/structure/format-detect.js +5 -7
- package/dist/structure/index.js +6 -12
- package/dist/structure/parse.js +38 -100
- package/dist/structure/partial-occupancy.js +7 -4
- package/dist/structure/pbc.js +8 -10
- package/dist/structure/polyhedra.js +5 -4
- package/dist/structure/prop-groups.d.ts +85 -0
- package/dist/structure/prop-groups.js +18 -0
- package/dist/symmetry/SymmetryStats.svelte +0 -4
- package/dist/symmetry/WyckoffTable.svelte +5 -4
- package/dist/symmetry/cell-transform.js +5 -14
- package/dist/symmetry/index.js +6 -9
- package/dist/table/HeatmapTable.svelte +61 -103
- package/dist/table/ToggleMenu.svelte +166 -44
- package/dist/table/ToggleMenu.svelte.d.ts +1 -1
- package/dist/theme/embedded.d.ts +18 -0
- package/dist/theme/embedded.js +206 -0
- package/dist/theme/index.d.ts +4 -0
- package/dist/theme/index.js +1 -2
- package/dist/theme/themes.mjs +31 -60
- package/dist/tooltip/TooltipContent.svelte +1 -1
- package/dist/tooltip/TooltipContent.svelte.d.ts +1 -1
- package/dist/tooltip/index.d.ts +8 -1
- package/dist/trajectory/Trajectory.svelte +140 -120
- package/dist/trajectory/TrajectoryError.svelte +1 -66
- package/dist/trajectory/TrajectoryExportPane.svelte +0 -1
- package/dist/trajectory/TrajectoryInfoPane.svelte +55 -80
- package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +2 -1
- package/dist/trajectory/extract.js +19 -29
- package/dist/trajectory/format-detect.d.ts +2 -0
- package/dist/trajectory/format-detect.js +7 -5
- package/dist/trajectory/frame-reader.js +3 -4
- package/dist/trajectory/helpers.js +16 -49
- package/dist/trajectory/index.js +2 -8
- package/dist/trajectory/parse/ase.js +1 -1
- package/dist/trajectory/parse/index.d.ts +4 -3
- package/dist/trajectory/parse/index.js +12 -17
- package/dist/trajectory/parse/vaspout-h5.d.ts +0 -1
- package/dist/trajectory/parse/vaspout-h5.js +1 -4
- package/dist/trajectory/parse/xyz.js +48 -2
- package/dist/trajectory/plotting.js +14 -37
- package/dist/xrd/XrdPlot.svelte +43 -68
- package/dist/xrd/calc-xrd.js +22 -58
- package/dist/xrd/parse.js +13 -22
- package/package.json +40 -8
- package/readme.md +6 -5
- 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
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@@ -19,26 +19,11 @@ export const ATOM_COLOR_MODE_OPTIONS = [
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`custom`,
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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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value: true,
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description: `Show Y-axis grid lines`,
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},
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y2_grid: {
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value: false,
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description: `Show Y2-axis grid lines`,
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},
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x_zero_line: {
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value: true,
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description: `Show X-axis zero reference line`,
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},
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y_zero_line: {
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value: true,
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description: `Show Y-axis zero reference line`,
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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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description: `Show a clickable ${node === `arc` ? `trail` : `pathbar`} of ancestors when zoomed into a subtree`,
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},
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});
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// Settings shared by the binary/ternary/quaternary convex hull sections below so
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// the three systems' options can't drift; only camera/threshold values differ.
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const convex_hull_settings = (system, values) => {
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const dim = { binary: `2D`, ternary: `3D`, quaternary: `4D` }[system];
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const hull = `${dim} convex hull`;
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return {
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camera_zoom: {
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value: values.camera_zoom,
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description: `Initial camera zoom for ${system} (${dim}) convex hull`,
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minimum: 0.1,
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maximum: values.camera_zoom_max,
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},
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camera_center_x: {
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value: 0,
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description: `Initial X center for ${system} (${dim}) convex hull`,
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},
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camera_center_y: {
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value: values.camera_center_y,
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description: `Initial Y center for ${system} (${dim}) convex hull`,
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},
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color_mode: {
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value: `energy`,
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description: `Color mode for ${hull} points`,
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enum: { stability: `Stability`, energy: `Energy` },
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},
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color_scale: {
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value: `interpolateViridis`,
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description: `D3 interpolate color scale for ${hull} energy mode`,
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},
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show_stable: { value: true, description: `Show stable phases in ${hull}` },
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show_unstable: { value: true, description: `Show unstable phases in ${hull}` },
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show_stable_labels: {
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value: true,
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description: `Show labels for stable phases in ${hull}`,
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},
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show_unstable_labels: {
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value: false,
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description: `Show labels for unstable phases in ${hull}`,
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},
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max_hull_dist_show_phases: {
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value: values.max_hull_dist_show_phases,
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description: `Max eV/atom above hull for showing unstable entries in ${hull}`,
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minimum: 0,
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maximum: 2,
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},
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max_hull_dist_show_labels: {
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value: 0.1,
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description: `Max eV/atom above hull for labeling unstable entries in ${hull}`,
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minimum: 0,
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maximum: 2,
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},
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fullscreen: { value: false, description: `Start in fullscreen for ${hull}` },
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info_pane_open: { value: false, description: `Info pane open by default for ${hull}` },
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legend_pane_open: {
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value: false,
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description: `Legend pane open by default for ${hull}`,
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},
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};
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};
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// Hull-face settings shared by the 3D-capable hulls (ternary + quaternary)
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const hull_face_settings = (dim, values) => ({
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show_hull_faces: { value: true, description: `Show hull faces in ${dim} convex hull` },
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hull_face_color: {
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value: `#4caf50`,
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description: `Color for hull faces in ${dim} convex hull`,
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},
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hull_face_opacity: {
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value: values.opacity,
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description: `Opacity for hull faces in ${dim} convex hull (0-1)`,
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minimum: 0,
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maximum: 1,
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},
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hull_face_color_mode: {
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value: values.color_mode,
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description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
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enum: {
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uniform: `Uniform`,
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formation_energy: `Formation energy`,
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dominant_element: `Dominant element`,
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facet_index: `Facet index`,
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},
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},
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});
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// Complete settings configuration with values, descriptions, and constraints
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export const SETTINGS_CONFIG = {
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// General display settings
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@@ -135,10 +203,7 @@ export const SETTINGS_CONFIG = {
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value: false,
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description: `Render all atoms with the same size regardless of element`,
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},
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value: true,
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description: `Display atoms in the structure`,
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},
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show_atoms: { value: true, description: `Display atoms in the structure` },
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show_image_atoms: {
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value: true,
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description: `Show atoms on the edge of the cell that are not part of the primitive basis`,
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description: `When to display bonds between atoms`,
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enum: SHOW_BONDS_ENUM,
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},
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bond_color: {
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value: `#666666`,
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description: `Color for bonds (hex color code)`,
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},
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bond_color: { value: `#666666`, description: `Color for bonds (hex color code)` },
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bonding_strategy: {
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value: `electroneg_ratio`,
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description: `Method for determining bonds between atoms`,
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enum: {
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electroneg_ratio: `Electronegativity Ratio`,
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solid_angle: `Solid Angle`,
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},
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enum: { electroneg_ratio: `Electronegativity Ratio`, solid_angle: `Solid Angle` },
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},
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show_polyhedra: {
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value: `crystals`,
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polyhedra_color_mode: {
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value: `vertex`,
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description: `Color polyhedra by the atoms at their corners, the center atom, or a single custom color`,
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enum: {
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vertex: `Vertex Atoms`,
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center: `Center Atom`,
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uniform: `Custom Color`,
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-
},
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enum: { vertex: `Vertex Atoms`, center: `Center Atom`, uniform: `Custom Color` },
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},
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polyhedra_color: {
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value: `#4a90d9`,
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atom_color_scale_type: {
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value: `continuous`,
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description: `Color scale type for property-based coloring`,
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enum: {
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continuous: `Continuous Gradient`,
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categorical: `Discrete Categories`,
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-
},
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enum: { continuous: `Continuous Gradient`, categorical: `Discrete Categories` },
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},
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// Camera & Controls
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show_gizmo: {
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|
@@ -272,13 +324,10 @@ export const SETTINGS_CONFIG = {
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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,
|
|
@@ -338,24 +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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|
-
|
|
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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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394
|
description: `Font size for atom labels`,
|
|
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|
minimum: 0.5,
|
|
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|
maximum: 5,
|
|
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397
|
},
|
|
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|
-
site_label_color: {
|
|
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|
-
value: `#111111`,
|
|
357
|
-
description: `Text color for atom labels`,
|
|
358
|
-
},
|
|
398
|
+
site_label_color: { value: `#111111`, description: `Text color for atom labels` },
|
|
359
399
|
site_label_bg_color: {
|
|
360
400
|
value: `color-mix(in srgb, #000000 0%, transparent)`,
|
|
361
401
|
description: `Background color for atom labels`,
|
|
@@ -439,14 +479,8 @@ export const SETTINGS_CONFIG = {
|
|
|
439
479
|
minimum: -0.5,
|
|
440
480
|
maximum: 0.5,
|
|
441
481
|
},
|
|
442
|
-
show_cell: {
|
|
443
|
-
|
|
444
|
-
description: `Display system cell`,
|
|
445
|
-
},
|
|
446
|
-
show_cell_vectors: {
|
|
447
|
-
value: true,
|
|
448
|
-
description: `Display cell vectors`,
|
|
449
|
-
},
|
|
482
|
+
show_cell: { value: false, description: `Display system cell` },
|
|
483
|
+
show_cell_vectors: { value: true, description: `Display cell vectors` },
|
|
450
484
|
cell_edge_opacity: {
|
|
451
485
|
value: 0.3,
|
|
452
486
|
description: `Opacity of cell edge lines`,
|
|
@@ -459,14 +493,8 @@ export const SETTINGS_CONFIG = {
|
|
|
459
493
|
minimum: 0,
|
|
460
494
|
maximum: 1,
|
|
461
495
|
},
|
|
462
|
-
cell_edge_color: {
|
|
463
|
-
|
|
464
|
-
description: `Color of cell edges`,
|
|
465
|
-
},
|
|
466
|
-
cell_surface_color: {
|
|
467
|
-
value: `#e0e0e0`,
|
|
468
|
-
description: `Color of cell surfaces`,
|
|
469
|
-
},
|
|
496
|
+
cell_edge_color: { value: `#808080`, description: `Color of cell edges` },
|
|
497
|
+
cell_surface_color: { value: `#e0e0e0`, description: `Color of cell surfaces` },
|
|
470
498
|
cell_edge_width: {
|
|
471
499
|
value: 1.5,
|
|
472
500
|
description: `Width of cell edge lines`,
|
|
@@ -509,10 +537,7 @@ export const SETTINGS_CONFIG = {
|
|
|
509
537
|
'structure+histogram': `Structure + Histogram`,
|
|
510
538
|
},
|
|
511
539
|
},
|
|
512
|
-
show_controls: {
|
|
513
|
-
value: true,
|
|
514
|
-
description: `Show playback controls`,
|
|
515
|
-
},
|
|
540
|
+
show_controls: { value: true, description: `Show playback controls` },
|
|
516
541
|
fullscreen_toggle: {
|
|
517
542
|
value: true,
|
|
518
543
|
description: `Show fullscreen toggle button (web-only, always false in other contexts)`,
|
|
@@ -527,11 +552,7 @@ export const SETTINGS_CONFIG = {
|
|
|
527
552
|
layout: {
|
|
528
553
|
value: `auto`,
|
|
529
554
|
description: `Layout arrangement for trajectory viewer`,
|
|
530
|
-
enum: {
|
|
531
|
-
auto: `Auto`,
|
|
532
|
-
horizontal: `Horizontal`,
|
|
533
|
-
vertical: `Vertical`,
|
|
534
|
-
},
|
|
555
|
+
enum: { auto: `Auto`, horizontal: `Horizontal`, vertical: `Vertical` },
|
|
535
556
|
},
|
|
536
557
|
// File handling and loading
|
|
537
558
|
allow_file_drop: {
|
|
@@ -595,10 +616,7 @@ export const SETTINGS_CONFIG = {
|
|
|
595
616
|
value: false,
|
|
596
617
|
description: `Use smooth interpolation between frames`,
|
|
597
618
|
},
|
|
598
|
-
loop_playback: {
|
|
599
|
-
value: true,
|
|
600
|
-
description: `Loop trajectory playback`,
|
|
601
|
-
},
|
|
619
|
+
loop_playback: { value: true, description: `Loop trajectory playback` },
|
|
602
620
|
pause_on_hover: {
|
|
603
621
|
value: false,
|
|
604
622
|
description: `Pause playback when hovering over controls`,
|
|
@@ -607,10 +625,7 @@ export const SETTINGS_CONFIG = {
|
|
|
607
625
|
value: true,
|
|
608
626
|
description: `Highlight current frame in timeline`,
|
|
609
627
|
},
|
|
610
|
-
show_frame_info: {
|
|
611
|
-
value: true,
|
|
612
|
-
description: `Show frame information overlay`,
|
|
613
|
-
},
|
|
628
|
+
show_frame_info: { value: true, description: `Show frame information overlay` },
|
|
614
629
|
// Performance
|
|
615
630
|
max_frames_in_memory: {
|
|
616
631
|
value: 1000,
|
|
@@ -634,25 +649,16 @@ export const SETTINGS_CONFIG = {
|
|
|
634
649
|
minimum: 0,
|
|
635
650
|
maximum: 100,
|
|
636
651
|
},
|
|
637
|
-
cache_parsed_data: {
|
|
638
|
-
value: true,
|
|
639
|
-
description: `Cache parsed trajectory data`,
|
|
640
|
-
},
|
|
652
|
+
cache_parsed_data: { value: true, description: `Cache parsed trajectory data` },
|
|
641
653
|
},
|
|
642
654
|
// Histogram specific
|
|
643
655
|
histogram: {
|
|
644
656
|
mode: {
|
|
645
657
|
value: `overlay`,
|
|
646
658
|
description: `Histogram display mode. 'overlay' shows multiple histograms in the same plot, 'single' shows a single histogram`,
|
|
647
|
-
enum: {
|
|
648
|
-
overlay: `Overlay`,
|
|
649
|
-
single: `Single`,
|
|
650
|
-
},
|
|
651
|
-
},
|
|
652
|
-
show_legend: {
|
|
653
|
-
value: true,
|
|
654
|
-
description: `Show legend in histogram plots`,
|
|
659
|
+
enum: { overlay: `Overlay`, single: `Single` },
|
|
655
660
|
},
|
|
661
|
+
show_legend: { value: true, description: `Show legend in histogram plots` },
|
|
656
662
|
bin_count: {
|
|
657
663
|
value: 100,
|
|
658
664
|
description: `Number of bins for histogram plots`,
|
|
@@ -660,10 +666,7 @@ export const SETTINGS_CONFIG = {
|
|
|
660
666
|
maximum: 1000,
|
|
661
667
|
},
|
|
662
668
|
bar: {
|
|
663
|
-
color: {
|
|
664
|
-
value: `#4A9EFF`,
|
|
665
|
-
description: `Histogram bar fill color`,
|
|
666
|
-
},
|
|
669
|
+
color: { value: `#4A9EFF`, description: `Histogram bar fill color` },
|
|
667
670
|
opacity: {
|
|
668
671
|
value: 0.7,
|
|
669
672
|
description: `Histogram bar opacity`,
|
|
@@ -676,10 +679,7 @@ export const SETTINGS_CONFIG = {
|
|
|
676
679
|
minimum: 0,
|
|
677
680
|
maximum: 5,
|
|
678
681
|
},
|
|
679
|
-
stroke_color: {
|
|
680
|
-
value: `#000000`,
|
|
681
|
-
description: `Histogram bar stroke color`,
|
|
682
|
-
},
|
|
682
|
+
stroke_color: { value: `#000000`, description: `Histogram bar stroke color` },
|
|
683
683
|
stroke_opacity: {
|
|
684
684
|
value: 0.5,
|
|
685
685
|
description: `Histogram bar stroke opacity`,
|
|
@@ -692,10 +692,7 @@ export const SETTINGS_CONFIG = {
|
|
|
692
692
|
// Bar plot specific
|
|
693
693
|
bar: {
|
|
694
694
|
bar: {
|
|
695
|
-
color: {
|
|
696
|
-
value: `#4A9EFF`,
|
|
697
|
-
description: `Bar plot fill color`,
|
|
698
|
-
},
|
|
695
|
+
color: { value: `#4A9EFF`, description: `Bar plot fill color` },
|
|
699
696
|
opacity: {
|
|
700
697
|
value: 0.6,
|
|
701
698
|
description: `Bar plot opacity (overlay mode)`,
|
|
@@ -710,16 +707,8 @@ export const SETTINGS_CONFIG = {
|
|
|
710
707
|
},
|
|
711
708
|
},
|
|
712
709
|
line: {
|
|
713
|
-
width: {
|
|
714
|
-
|
|
715
|
-
description: `Bar plot line width`,
|
|
716
|
-
minimum: 0.5,
|
|
717
|
-
maximum: 10,
|
|
718
|
-
},
|
|
719
|
-
color: {
|
|
720
|
-
value: `#4A9EFF`,
|
|
721
|
-
description: `Bar plot line color`,
|
|
722
|
-
},
|
|
710
|
+
width: { value: 2, description: `Bar plot line width`, minimum: 0.5, maximum: 10 },
|
|
711
|
+
color: { value: `#4A9EFF`, description: `Bar plot line color` },
|
|
723
712
|
},
|
|
724
713
|
display: DISPLAY_CONFIG,
|
|
725
714
|
},
|
|
@@ -745,10 +734,7 @@ export const SETTINGS_CONFIG = {
|
|
|
745
734
|
value: true,
|
|
746
735
|
description: `Show outlier points beyond the whiskers`,
|
|
747
736
|
},
|
|
748
|
-
show_mean: {
|
|
749
|
-
value: false,
|
|
750
|
-
description: `Show the mean marker inside each box`,
|
|
751
|
-
},
|
|
737
|
+
show_mean: { value: false, description: `Show the mean marker inside each box` },
|
|
752
738
|
kind: {
|
|
753
739
|
value: `box`,
|
|
754
740
|
description: `Glyph to draw per series: box, violin (KDE density), or both`,
|
|
@@ -777,16 +763,8 @@ export const SETTINGS_CONFIG = {
|
|
|
777
763
|
maximum: 1,
|
|
778
764
|
},
|
|
779
765
|
box: {
|
|
780
|
-
color: {
|
|
781
|
-
|
|
782
|
-
description: `Box fill color`,
|
|
783
|
-
},
|
|
784
|
-
opacity: {
|
|
785
|
-
value: 0.6,
|
|
786
|
-
description: `Box fill opacity`,
|
|
787
|
-
minimum: 0,
|
|
788
|
-
maximum: 1,
|
|
789
|
-
},
|
|
766
|
+
color: { value: `#4A9EFF`, description: `Box fill color` },
|
|
767
|
+
opacity: { value: 0.6, description: `Box fill opacity`, minimum: 0, maximum: 1 },
|
|
790
768
|
stroke_width: {
|
|
791
769
|
value: 0.5,
|
|
792
770
|
description: `Box outline width`,
|
|
@@ -805,12 +783,7 @@ export const SETTINGS_CONFIG = {
|
|
|
805
783
|
},
|
|
806
784
|
},
|
|
807
785
|
whisker: {
|
|
808
|
-
width: {
|
|
809
|
-
value: 1,
|
|
810
|
-
description: `Whisker line width`,
|
|
811
|
-
minimum: 0.5,
|
|
812
|
-
maximum: 5,
|
|
813
|
-
},
|
|
786
|
+
width: { value: 1, description: `Whisker line width`, minimum: 0.5, maximum: 5 },
|
|
814
787
|
color: {
|
|
815
788
|
value: `var(--text-color, black)`, // theme-responsive like axis/grid colors
|
|
816
789
|
description: `Whisker line color`,
|
|
@@ -823,12 +796,7 @@ export const SETTINGS_CONFIG = {
|
|
|
823
796
|
},
|
|
824
797
|
},
|
|
825
798
|
median: {
|
|
826
|
-
width: {
|
|
827
|
-
value: 1.5,
|
|
828
|
-
description: `Median line width`,
|
|
829
|
-
minimum: 0.5,
|
|
830
|
-
maximum: 6,
|
|
831
|
-
},
|
|
799
|
+
width: { value: 1.5, description: `Median line width`, minimum: 0.5, maximum: 6 },
|
|
832
800
|
color: {
|
|
833
801
|
value: `var(--text-color, black)`, // theme-responsive like axis/grid colors
|
|
834
802
|
description: `Median line color`,
|
|
@@ -855,12 +823,7 @@ export const SETTINGS_CONFIG = {
|
|
|
855
823
|
},
|
|
856
824
|
},
|
|
857
825
|
violin: {
|
|
858
|
-
opacity: {
|
|
859
|
-
value: 0.5,
|
|
860
|
-
description: `Violin fill opacity`,
|
|
861
|
-
minimum: 0,
|
|
862
|
-
maximum: 1,
|
|
863
|
-
},
|
|
826
|
+
opacity: { value: 0.5, description: `Violin fill opacity`, minimum: 0, maximum: 1 },
|
|
864
827
|
stroke_width: {
|
|
865
828
|
value: 1,
|
|
866
829
|
description: `Violin outline width`,
|
|
@@ -900,10 +863,7 @@ export const SETTINGS_CONFIG = {
|
|
|
900
863
|
minimum: 0.05,
|
|
901
864
|
maximum: 1,
|
|
902
865
|
},
|
|
903
|
-
show_node_labels: {
|
|
904
|
-
value: true,
|
|
905
|
-
description: `Show node labels next to each node`,
|
|
906
|
-
},
|
|
866
|
+
show_node_labels: { value: true, description: `Show node labels next to each node` },
|
|
907
867
|
iterations: {
|
|
908
868
|
value: 6,
|
|
909
869
|
description: `Number of d3-sankey relaxation iterations for node positioning`,
|
|
@@ -969,11 +929,7 @@ export const SETTINGS_CONFIG = {
|
|
|
969
929
|
display_mode: {
|
|
970
930
|
value: `pie`,
|
|
971
931
|
description: `Display mode for composition data`,
|
|
972
|
-
enum: {
|
|
973
|
-
pie: `Pie`,
|
|
974
|
-
bubble: `Bubble`,
|
|
975
|
-
bar: `Bar`,
|
|
976
|
-
},
|
|
932
|
+
enum: { pie: `Pie`, bubble: `Bubble`, bar: `Bar` },
|
|
977
933
|
},
|
|
978
934
|
color_scheme: {
|
|
979
935
|
value: `Vesta`,
|
|
@@ -995,18 +951,9 @@ export const SETTINGS_CONFIG = {
|
|
|
995
951
|
description: `Default symbol type for scatter plots`,
|
|
996
952
|
enum: Object.fromEntries(symbol_names.map((name) => [name, name])),
|
|
997
953
|
},
|
|
998
|
-
show_legend: {
|
|
999
|
-
|
|
1000
|
-
|
|
1001
|
-
},
|
|
1002
|
-
show_points: {
|
|
1003
|
-
value: true,
|
|
1004
|
-
description: `Show points in scatter plots`,
|
|
1005
|
-
},
|
|
1006
|
-
show_lines: {
|
|
1007
|
-
value: true,
|
|
1008
|
-
description: `Show connecting lines in scatter plots`,
|
|
1009
|
-
},
|
|
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` },
|
|
1010
957
|
display: DISPLAY_CONFIG,
|
|
1011
958
|
point: {
|
|
1012
959
|
size: {
|
|
@@ -1015,10 +962,7 @@ export const SETTINGS_CONFIG = {
|
|
|
1015
962
|
minimum: 1,
|
|
1016
963
|
maximum: 20,
|
|
1017
964
|
},
|
|
1018
|
-
color: {
|
|
1019
|
-
value: `#4A9EFF`,
|
|
1020
|
-
description: `Default color for scatter plot points`,
|
|
1021
|
-
},
|
|
965
|
+
color: { value: `#4A9EFF`, description: `Default color for scatter plot points` },
|
|
1022
966
|
opacity: {
|
|
1023
967
|
value: 1,
|
|
1024
968
|
description: `Opacity of scatter plot points`,
|
|
@@ -1049,10 +993,7 @@ export const SETTINGS_CONFIG = {
|
|
|
1049
993
|
minimum: 0.5,
|
|
1050
994
|
maximum: 10,
|
|
1051
995
|
},
|
|
1052
|
-
color: {
|
|
1053
|
-
value: `#4A9EFF`,
|
|
1054
|
-
description: `Default color for scatter plot lines`,
|
|
1055
|
-
},
|
|
996
|
+
color: { value: `#4A9EFF`, description: `Default color for scatter plot lines` },
|
|
1056
997
|
opacity: {
|
|
1057
998
|
value: 1,
|
|
1058
999
|
description: `Opacity of scatter plot lines`,
|
|
@@ -1073,52 +1014,22 @@ export const SETTINGS_CONFIG = {
|
|
|
1073
1014
|
minimum: 0,
|
|
1074
1015
|
maximum: 2000,
|
|
1075
1016
|
},
|
|
1076
|
-
enable_zoom: {
|
|
1077
|
-
value: true,
|
|
1078
|
-
description: `Enable zooming in plots`,
|
|
1079
|
-
},
|
|
1017
|
+
enable_zoom: { value: true, description: `Enable zooming in plots` },
|
|
1080
1018
|
zoom_factor: {
|
|
1081
1019
|
value: 1.5,
|
|
1082
1020
|
description: `Zoom factor for plot interactions`,
|
|
1083
1021
|
minimum: 1.1,
|
|
1084
1022
|
maximum: 5.0,
|
|
1085
1023
|
},
|
|
1086
|
-
auto_fit_range: {
|
|
1087
|
-
|
|
1088
|
-
|
|
1089
|
-
},
|
|
1090
|
-
|
|
1091
|
-
|
|
1092
|
-
|
|
1093
|
-
},
|
|
1094
|
-
|
|
1095
|
-
value: true,
|
|
1096
|
-
description: `Show axis labels in plots`,
|
|
1097
|
-
},
|
|
1098
|
-
show_x_zero_line: {
|
|
1099
|
-
value: true,
|
|
1100
|
-
description: `Show X-axis zero reference line`,
|
|
1101
|
-
},
|
|
1102
|
-
show_y_zero_line: {
|
|
1103
|
-
value: true,
|
|
1104
|
-
description: `Show Y-axis zero reference line`,
|
|
1105
|
-
},
|
|
1106
|
-
show_x_grid: {
|
|
1107
|
-
value: true,
|
|
1108
|
-
description: `Show X-axis grid lines`,
|
|
1109
|
-
},
|
|
1110
|
-
show_x2_grid: {
|
|
1111
|
-
value: false,
|
|
1112
|
-
description: `Show secondary X-axis grid lines`,
|
|
1113
|
-
},
|
|
1114
|
-
show_y_grid: {
|
|
1115
|
-
value: true,
|
|
1116
|
-
description: `Show Y-axis grid lines`,
|
|
1117
|
-
},
|
|
1118
|
-
show_y2_grid: {
|
|
1119
|
-
value: true,
|
|
1120
|
-
description: `Show secondary Y-axis grid lines`,
|
|
1121
|
-
},
|
|
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` },
|
|
1122
1033
|
x_format: {
|
|
1123
1034
|
value: `.2~s`,
|
|
1124
1035
|
description: `Number format for X-axis ticks (D3 format specifier)`,
|
|
@@ -1138,18 +1049,12 @@ export const SETTINGS_CONFIG = {
|
|
|
1138
1049
|
x_scale_type: {
|
|
1139
1050
|
value: `linear`,
|
|
1140
1051
|
description: `Scale type for X-axis`,
|
|
1141
|
-
enum: {
|
|
1142
|
-
linear: `Linear`,
|
|
1143
|
-
log: `Log`,
|
|
1144
|
-
},
|
|
1052
|
+
enum: { linear: `Linear`, log: `Log` },
|
|
1145
1053
|
},
|
|
1146
1054
|
y_scale_type: {
|
|
1147
1055
|
value: `linear`,
|
|
1148
1056
|
description: `Scale type for Y-axis`,
|
|
1149
|
-
enum: {
|
|
1150
|
-
linear: `Linear`,
|
|
1151
|
-
log: `Log`,
|
|
1152
|
-
},
|
|
1057
|
+
enum: { linear: `Linear`, log: `Log` },
|
|
1153
1058
|
},
|
|
1154
1059
|
x_ticks: {
|
|
1155
1060
|
value: 8,
|
|
@@ -1166,75 +1071,20 @@ export const SETTINGS_CONFIG = {
|
|
|
1166
1071
|
},
|
|
1167
1072
|
convex_hull: {
|
|
1168
1073
|
// Convex hull defaults (binary/ternary/quaternary)
|
|
1169
|
-
binary: {
|
|
1170
|
-
camera_zoom:
|
|
1171
|
-
|
|
1172
|
-
|
|
1173
|
-
|
|
1174
|
-
|
|
1175
|
-
},
|
|
1176
|
-
camera_center_x: {
|
|
1177
|
-
value: 0,
|
|
1178
|
-
description: `Initial X center for binary (2D) convex hull`,
|
|
1179
|
-
},
|
|
1180
|
-
camera_center_y: {
|
|
1181
|
-
value: 0,
|
|
1182
|
-
description: `Initial Y center for binary (2D) convex hull`,
|
|
1183
|
-
},
|
|
1184
|
-
color_mode: {
|
|
1185
|
-
value: `energy`,
|
|
1186
|
-
description: `Color mode for 2D convex hull points`,
|
|
1187
|
-
enum: {
|
|
1188
|
-
stability: `Stability`,
|
|
1189
|
-
energy: `Energy`,
|
|
1190
|
-
},
|
|
1191
|
-
},
|
|
1192
|
-
color_scale: {
|
|
1193
|
-
value: `interpolateViridis`,
|
|
1194
|
-
description: `D3 interpolate color scale for 2D convex hull energy mode`,
|
|
1195
|
-
},
|
|
1196
|
-
show_stable: {
|
|
1197
|
-
value: true,
|
|
1198
|
-
description: `Show stable phases in 2D convex hull`,
|
|
1199
|
-
},
|
|
1200
|
-
show_unstable: {
|
|
1201
|
-
value: true,
|
|
1202
|
-
description: `Show unstable phases in 2D convex hull`,
|
|
1203
|
-
},
|
|
1204
|
-
show_stable_labels: {
|
|
1205
|
-
value: true,
|
|
1206
|
-
description: `Show labels for stable phases in 2D convex hull`,
|
|
1207
|
-
},
|
|
1208
|
-
show_unstable_labels: {
|
|
1209
|
-
value: false,
|
|
1210
|
-
description: `Show labels for unstable phases in 2D convex hull`,
|
|
1211
|
-
},
|
|
1212
|
-
max_hull_dist_show_phases: {
|
|
1213
|
-
value: 0.1,
|
|
1214
|
-
description: `Max eV/atom above hull for showing unstable entries in 2D convex hull`,
|
|
1215
|
-
minimum: 0,
|
|
1216
|
-
maximum: 2,
|
|
1217
|
-
},
|
|
1218
|
-
max_hull_dist_show_labels: {
|
|
1219
|
-
value: 0.1,
|
|
1220
|
-
description: `Max eV/atom above hull for labeling unstable entries in 2D convex hull`,
|
|
1221
|
-
minimum: 0,
|
|
1222
|
-
maximum: 2,
|
|
1223
|
-
},
|
|
1224
|
-
fullscreen: {
|
|
1225
|
-
value: false,
|
|
1226
|
-
description: `Start in fullscreen for 2D convex hull`,
|
|
1227
|
-
},
|
|
1228
|
-
info_pane_open: {
|
|
1229
|
-
value: false,
|
|
1230
|
-
description: `Info pane open by default for 2D convex hull`,
|
|
1231
|
-
},
|
|
1232
|
-
legend_pane_open: {
|
|
1233
|
-
value: false,
|
|
1234
|
-
description: `Legend pane open by default for 2D convex hull`,
|
|
1235
|
-
},
|
|
1236
|
-
},
|
|
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
|
+
}),
|
|
1237
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` }),
|
|
1238
1088
|
camera_elevation: {
|
|
1239
1089
|
value: 45,
|
|
1240
1090
|
description: `Initial camera elevation (deg) for ternary (3D) convex hull`,
|
|
@@ -1247,98 +1097,15 @@ export const SETTINGS_CONFIG = {
|
|
|
1247
1097
|
minimum: -360,
|
|
1248
1098
|
maximum: 360,
|
|
1249
1099
|
},
|
|
1250
|
-
camera_zoom: {
|
|
1251
|
-
value: 1.5,
|
|
1252
|
-
description: `Initial camera zoom for ternary (3D) convex hull`,
|
|
1253
|
-
minimum: 0.1,
|
|
1254
|
-
maximum: 10,
|
|
1255
|
-
},
|
|
1256
|
-
camera_center_x: {
|
|
1257
|
-
value: 0,
|
|
1258
|
-
description: `Initial X center for ternary (3D) convex hull`,
|
|
1259
|
-
},
|
|
1260
|
-
camera_center_y: {
|
|
1261
|
-
value: -50,
|
|
1262
|
-
description: `Initial Y center for ternary (3D) convex hull`,
|
|
1263
|
-
},
|
|
1264
|
-
color_mode: {
|
|
1265
|
-
value: `energy`,
|
|
1266
|
-
description: `Color mode for 3D convex hull points`,
|
|
1267
|
-
enum: {
|
|
1268
|
-
stability: `Stability`,
|
|
1269
|
-
energy: `Energy`,
|
|
1270
|
-
},
|
|
1271
|
-
},
|
|
1272
|
-
color_scale: {
|
|
1273
|
-
value: `interpolateViridis`,
|
|
1274
|
-
description: `D3 interpolate color scale for 3D convex hull energy mode`,
|
|
1275
|
-
},
|
|
1276
|
-
show_stable: {
|
|
1277
|
-
value: true,
|
|
1278
|
-
description: `Show stable phases in 3D convex hull`,
|
|
1279
|
-
},
|
|
1280
|
-
show_unstable: {
|
|
1281
|
-
value: true,
|
|
1282
|
-
description: `Show unstable phases in 3D convex hull`,
|
|
1283
|
-
},
|
|
1284
|
-
show_stable_labels: {
|
|
1285
|
-
value: true,
|
|
1286
|
-
description: `Show labels for stable phases in 3D convex hull`,
|
|
1287
|
-
},
|
|
1288
|
-
show_unstable_labels: {
|
|
1289
|
-
value: false,
|
|
1290
|
-
description: `Show labels for unstable phases in 3D convex hull`,
|
|
1291
|
-
},
|
|
1292
|
-
max_hull_dist_show_phases: {
|
|
1293
|
-
value: 0.5,
|
|
1294
|
-
description: `Max eV/atom above hull for showing unstable entries in 3D convex hull`,
|
|
1295
|
-
minimum: 0,
|
|
1296
|
-
maximum: 2,
|
|
1297
|
-
},
|
|
1298
|
-
max_hull_dist_show_labels: {
|
|
1299
|
-
value: 0.1,
|
|
1300
|
-
description: `Max eV/atom above hull for labeling unstable entries in 3D convex hull`,
|
|
1301
|
-
minimum: 0,
|
|
1302
|
-
maximum: 2,
|
|
1303
|
-
},
|
|
1304
|
-
show_hull_faces: {
|
|
1305
|
-
value: true,
|
|
1306
|
-
description: `Render lower hull faces in 3D convex hull`,
|
|
1307
|
-
},
|
|
1308
|
-
hull_face_color: {
|
|
1309
|
-
value: `#4caf50`,
|
|
1310
|
-
description: `Color for lower hull faces in 3D convex hull`,
|
|
1311
|
-
},
|
|
1312
|
-
hull_face_opacity: {
|
|
1313
|
-
value: 0.3,
|
|
1314
|
-
description: `Opacity for hull faces in 3D convex hull (0-1)`,
|
|
1315
|
-
minimum: 0,
|
|
1316
|
-
maximum: 1,
|
|
1317
|
-
},
|
|
1318
|
-
hull_face_color_mode: {
|
|
1319
|
-
value: `uniform`,
|
|
1320
|
-
description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
|
|
1321
|
-
enum: {
|
|
1322
|
-
uniform: `Uniform`,
|
|
1323
|
-
formation_energy: `Formation energy`,
|
|
1324
|
-
dominant_element: `Dominant element`,
|
|
1325
|
-
facet_index: `Facet index`,
|
|
1326
|
-
},
|
|
1327
|
-
},
|
|
1328
|
-
fullscreen: {
|
|
1329
|
-
value: false,
|
|
1330
|
-
description: `Start in fullscreen for 3D convex hull`,
|
|
1331
|
-
},
|
|
1332
|
-
info_pane_open: {
|
|
1333
|
-
value: false,
|
|
1334
|
-
description: `Info pane open by default for 3D convex hull`,
|
|
1335
|
-
},
|
|
1336
|
-
legend_pane_open: {
|
|
1337
|
-
value: false,
|
|
1338
|
-
description: `Legend pane open by default for 3D convex hull`,
|
|
1339
|
-
},
|
|
1340
1100
|
},
|
|
1341
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` }),
|
|
1342
1109
|
camera_rotation_x: {
|
|
1343
1110
|
value: -0.6,
|
|
1344
1111
|
description: `Initial camera X rotation (rad) for quaternary (4D) convex hull`,
|
|
@@ -1351,96 +1118,6 @@ export const SETTINGS_CONFIG = {
|
|
|
1351
1118
|
minimum: -6.283,
|
|
1352
1119
|
maximum: 6.283,
|
|
1353
1120
|
},
|
|
1354
|
-
camera_zoom: {
|
|
1355
|
-
value: 1.4,
|
|
1356
|
-
description: `Initial camera zoom for quaternary (4D) convex hull`,
|
|
1357
|
-
minimum: 0.1,
|
|
1358
|
-
maximum: 20,
|
|
1359
|
-
},
|
|
1360
|
-
camera_center_x: {
|
|
1361
|
-
value: 0,
|
|
1362
|
-
description: `Initial X center for quaternary (4D) convex hull`,
|
|
1363
|
-
},
|
|
1364
|
-
camera_center_y: {
|
|
1365
|
-
value: 20,
|
|
1366
|
-
description: `Initial Y center for quaternary (4D) convex hull`,
|
|
1367
|
-
},
|
|
1368
|
-
color_mode: {
|
|
1369
|
-
value: `energy`,
|
|
1370
|
-
description: `Color mode for 4D convex hull points`,
|
|
1371
|
-
enum: {
|
|
1372
|
-
stability: `Stability`,
|
|
1373
|
-
energy: `Energy`,
|
|
1374
|
-
},
|
|
1375
|
-
},
|
|
1376
|
-
color_scale: {
|
|
1377
|
-
value: `interpolateViridis`,
|
|
1378
|
-
description: `D3 interpolate color scale for 4D convex hull energy mode`,
|
|
1379
|
-
},
|
|
1380
|
-
show_stable: {
|
|
1381
|
-
value: true,
|
|
1382
|
-
description: `Show stable phases in 4D convex hull`,
|
|
1383
|
-
},
|
|
1384
|
-
show_unstable: {
|
|
1385
|
-
value: true,
|
|
1386
|
-
description: `Show unstable phases in 4D convex hull`,
|
|
1387
|
-
},
|
|
1388
|
-
show_stable_labels: {
|
|
1389
|
-
value: true,
|
|
1390
|
-
description: `Show labels for stable phases in 4D convex hull`,
|
|
1391
|
-
},
|
|
1392
|
-
show_unstable_labels: {
|
|
1393
|
-
value: false,
|
|
1394
|
-
description: `Show labels for unstable phases in 4D convex hull`,
|
|
1395
|
-
},
|
|
1396
|
-
show_hull_faces: {
|
|
1397
|
-
value: true,
|
|
1398
|
-
description: `Show convex hull faces in 4D convex hull`,
|
|
1399
|
-
},
|
|
1400
|
-
hull_face_color: {
|
|
1401
|
-
value: `#4caf50`,
|
|
1402
|
-
description: `Color for hull faces in 4D convex hull`,
|
|
1403
|
-
},
|
|
1404
|
-
hull_face_opacity: {
|
|
1405
|
-
value: 0.03,
|
|
1406
|
-
description: `Opacity for hull faces in 4D convex hull (0-1)`,
|
|
1407
|
-
minimum: 0,
|
|
1408
|
-
maximum: 1,
|
|
1409
|
-
},
|
|
1410
|
-
hull_face_color_mode: {
|
|
1411
|
-
value: `dominant_element`,
|
|
1412
|
-
description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
|
|
1413
|
-
enum: {
|
|
1414
|
-
uniform: `Uniform`,
|
|
1415
|
-
formation_energy: `Formation energy`,
|
|
1416
|
-
dominant_element: `Dominant element`,
|
|
1417
|
-
facet_index: `Facet index`,
|
|
1418
|
-
},
|
|
1419
|
-
},
|
|
1420
|
-
max_hull_dist_show_phases: {
|
|
1421
|
-
value: 0.1,
|
|
1422
|
-
description: `Max eV/atom above hull for showing unstable entries in 4D convex hull`,
|
|
1423
|
-
minimum: 0,
|
|
1424
|
-
maximum: 2,
|
|
1425
|
-
},
|
|
1426
|
-
max_hull_dist_show_labels: {
|
|
1427
|
-
value: 0.1,
|
|
1428
|
-
description: `Max eV/atom above hull for labeling unstable entries in 4D convex hull`,
|
|
1429
|
-
minimum: 0,
|
|
1430
|
-
maximum: 2,
|
|
1431
|
-
},
|
|
1432
|
-
fullscreen: {
|
|
1433
|
-
value: false,
|
|
1434
|
-
description: `Start in fullscreen for 4D convex hull`,
|
|
1435
|
-
},
|
|
1436
|
-
info_pane_open: {
|
|
1437
|
-
value: false,
|
|
1438
|
-
description: `Info pane open by default for 4D convex hull`,
|
|
1439
|
-
},
|
|
1440
|
-
legend_pane_open: {
|
|
1441
|
-
value: false,
|
|
1442
|
-
description: `Legend pane open by default for 4D convex hull`,
|
|
1443
|
-
},
|
|
1444
1121
|
},
|
|
1445
1122
|
},
|
|
1446
1123
|
};
|