matterviz 0.3.1 → 0.3.3
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 -2
- package/dist/FilePicker.svelte +154 -96
- package/dist/Icon.svelte +20 -14
- package/dist/MillerIndexInput.svelte +27 -21
- package/dist/api/optimade.js +6 -6
- package/dist/app.css +216 -178
- package/dist/brillouin/BrillouinZone.svelte +299 -198
- package/dist/brillouin/BrillouinZone.svelte.d.ts +1 -1
- package/dist/brillouin/BrillouinZoneControls.svelte +32 -5
- package/dist/brillouin/BrillouinZoneExportPane.svelte +74 -55
- package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +1 -1
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +99 -68
- package/dist/brillouin/BrillouinZoneScene.svelte +277 -165
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
- package/dist/brillouin/BrillouinZoneTooltip.svelte +17 -7
- package/dist/brillouin/compute.js +11 -6
- package/dist/chempot-diagram/ChemPotDiagram.svelte +327 -0
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +847 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +3194 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotScene3D.svelte +11 -0
- package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
- package/dist/chempot-diagram/async-compute.svelte.d.ts +3 -0
- package/dist/chempot-diagram/async-compute.svelte.js +77 -0
- package/dist/chempot-diagram/chempot-worker.d.ts +1 -0
- package/dist/chempot-diagram/chempot-worker.js +11 -0
- package/dist/chempot-diagram/color.d.ts +10 -0
- package/dist/chempot-diagram/color.js +32 -0
- package/dist/chempot-diagram/compute.d.ts +48 -0
- package/dist/chempot-diagram/compute.js +812 -0
- package/dist/chempot-diagram/index.d.ts +6 -0
- package/dist/chempot-diagram/index.js +6 -0
- package/dist/chempot-diagram/pointer.d.ts +16 -0
- package/dist/chempot-diagram/pointer.js +40 -0
- package/dist/chempot-diagram/temperature.d.ts +15 -0
- package/dist/chempot-diagram/temperature.js +36 -0
- package/dist/chempot-diagram/types.d.ts +86 -0
- package/dist/chempot-diagram/types.js +28 -0
- package/dist/colors/index.d.ts +3 -1
- package/dist/colors/index.js +9 -3
- package/dist/composition/BarChart.svelte +141 -77
- package/dist/composition/BubbleChart.svelte +107 -52
- package/dist/composition/Composition.svelte +100 -79
- package/dist/composition/Formula.svelte +108 -62
- package/dist/composition/FormulaFilter.svelte +973 -353
- package/dist/composition/FormulaFilter.svelte.d.ts +35 -1
- package/dist/composition/PieChart.svelte +199 -99
- package/dist/composition/PieChart.svelte.d.ts +1 -1
- package/dist/composition/format.d.ts +5 -0
- package/dist/composition/format.js +20 -3
- package/dist/composition/parse.js +14 -9
- package/dist/convex-hull/ConvexHull.svelte +93 -38
- package/dist/convex-hull/ConvexHull2D.svelte +551 -393
- package/dist/convex-hull/ConvexHull3D.svelte +1303 -825
- package/dist/convex-hull/ConvexHull4D.svelte +1012 -686
- package/dist/convex-hull/ConvexHullControls.svelte +115 -28
- package/dist/convex-hull/ConvexHullInfoPane.svelte +29 -3
- package/dist/convex-hull/ConvexHullStats.svelte +821 -249
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +6 -1
- package/dist/convex-hull/ConvexHullTooltip.svelte +41 -16
- package/dist/convex-hull/GasPressureControls.svelte +104 -61
- package/dist/convex-hull/StructurePopup.svelte +25 -4
- package/dist/convex-hull/TemperatureSlider.svelte +45 -25
- package/dist/convex-hull/barycentric-coords.js +13 -7
- package/dist/convex-hull/demo-temperature.d.ts +6 -0
- package/dist/convex-hull/demo-temperature.js +40 -0
- package/dist/convex-hull/gas-thermodynamics.js +17 -12
- package/dist/convex-hull/helpers.d.ts +10 -1
- package/dist/convex-hull/helpers.js +79 -38
- package/dist/convex-hull/index.d.ts +1 -0
- package/dist/convex-hull/index.js +1 -0
- package/dist/convex-hull/thermodynamics.d.ts +8 -21
- package/dist/convex-hull/thermodynamics.js +163 -69
- package/dist/convex-hull/types.d.ts +12 -12
- package/dist/convex-hull/types.js +0 -12
- package/dist/coordination/CoordinationBarPlot.svelte +232 -176
- package/dist/element/BohrAtom.svelte +56 -13
- package/dist/element/ElementHeading.svelte +7 -2
- package/dist/element/ElementPhoto.svelte +15 -9
- package/dist/element/ElementStats.svelte +10 -4
- package/dist/element/ElementTile.svelte +137 -73
- package/dist/element/Nucleus.svelte +39 -11
- package/dist/element/data.js +2 -14
- package/dist/element/data.json.gz +0 -0
- package/dist/element/types.d.ts +1 -0
- package/dist/feedback/ClickFeedback.svelte +16 -5
- package/dist/feedback/DragOverlay.svelte +10 -2
- package/dist/feedback/Spinner.svelte +4 -2
- package/dist/feedback/StatusMessage.svelte +8 -2
- package/dist/fermi-surface/FermiSlice.svelte +118 -88
- package/dist/fermi-surface/FermiSurface.svelte +336 -239
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceControls.svelte +113 -46
- package/dist/fermi-surface/FermiSurfaceScene.svelte +536 -343
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte +14 -5
- package/dist/fermi-surface/compute.js +16 -20
- package/dist/fermi-surface/parse.js +37 -33
- package/dist/fermi-surface/symmetry.js +2 -7
- package/dist/fermi-surface/types.d.ts +3 -5
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +1527 -0
- package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +30 -0
- package/dist/heatmap-matrix/index.d.ts +53 -0
- package/dist/heatmap-matrix/index.js +100 -0
- package/dist/heatmap-matrix/shared.d.ts +2 -0
- package/dist/heatmap-matrix/shared.js +4 -0
- package/dist/icons.d.ts +111 -0
- package/dist/icons.js +158 -0
- package/dist/index.d.ts +5 -2
- package/dist/index.js +5 -2
- package/dist/io/decompress.js +1 -1
- package/dist/io/export.d.ts +3 -0
- package/dist/io/export.js +138 -140
- package/dist/io/file-drop.d.ts +7 -0
- package/dist/io/file-drop.js +43 -0
- package/dist/io/index.d.ts +2 -2
- package/dist/io/index.js +2 -112
- package/dist/io/is-binary.js +2 -3
- package/dist/io/types.d.ts +1 -0
- package/dist/io/url-drop.d.ts +2 -0
- package/dist/io/url-drop.js +117 -0
- package/dist/isosurface/Isosurface.svelte +220 -110
- package/dist/isosurface/IsosurfaceControls.svelte +65 -28
- package/dist/isosurface/parse.js +104 -56
- package/dist/isosurface/slice.d.ts +2 -1
- package/dist/isosurface/slice.js +8 -13
- package/dist/isosurface/types.d.ts +14 -1
- package/dist/isosurface/types.js +152 -5
- package/dist/labels.d.ts +2 -1
- package/dist/labels.js +12 -8
- package/dist/layout/FullscreenToggle.svelte +11 -2
- package/dist/layout/InfoCard.svelte +38 -6
- package/dist/layout/InfoTag.svelte +125 -94
- package/dist/layout/PropertyFilter.svelte +82 -37
- package/dist/layout/SettingsSection.svelte +85 -55
- package/dist/layout/SubpageGrid.svelte +82 -0
- package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
- package/dist/layout/index.d.ts +1 -0
- package/dist/layout/index.js +1 -0
- package/dist/layout/json-tree/JsonNode.svelte +266 -223
- package/dist/layout/json-tree/JsonTree.svelte +516 -429
- package/dist/layout/json-tree/JsonTree.svelte.d.ts +1 -1
- package/dist/layout/json-tree/JsonValue.svelte +281 -173
- package/dist/layout/json-tree/types.d.ts +10 -2
- package/dist/layout/json-tree/utils.d.ts +2 -0
- package/dist/layout/json-tree/utils.js +37 -2
- package/dist/marching-cubes.js +25 -2
- package/dist/math.d.ts +20 -17
- package/dist/math.js +474 -57
- package/dist/overlays/ContextMenu.svelte +66 -40
- package/dist/overlays/DraggablePane.svelte +331 -154
- package/dist/overlays/DraggablePane.svelte.d.ts +2 -0
- package/dist/periodic-table/PeriodicTable.svelte +278 -145
- package/dist/periodic-table/PeriodicTableControls.svelte +178 -128
- package/dist/periodic-table/PropertySelect.svelte +25 -7
- package/dist/periodic-table/TableInset.svelte +8 -3
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +559 -267
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -2
- package/dist/phase-diagram/PhaseDiagramControls.svelte +131 -51
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +3 -2
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +160 -110
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +8 -1
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +217 -86
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +6 -3
- package/dist/phase-diagram/TdbInfoPanel.svelte +28 -4
- package/dist/phase-diagram/build-diagram.js +9 -9
- package/dist/phase-diagram/colors.js +1 -3
- package/dist/phase-diagram/index.d.ts +2 -0
- package/dist/phase-diagram/index.js +2 -0
- package/dist/phase-diagram/parse.js +10 -9
- package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
- package/dist/phase-diagram/svg-to-diagram.js +869 -0
- package/dist/phase-diagram/types.d.ts +10 -0
- package/dist/phase-diagram/utils.d.ts +8 -4
- package/dist/phase-diagram/utils.js +219 -74
- package/dist/plot/AxisLabel.svelte +51 -0
- package/dist/plot/AxisLabel.svelte.d.ts +16 -0
- package/dist/plot/BarPlot.svelte +1461 -768
- package/dist/plot/BarPlot.svelte.d.ts +3 -3
- package/dist/plot/BarPlotControls.svelte +33 -6
- package/dist/plot/BarPlotControls.svelte.d.ts +1 -1
- package/dist/plot/ColorBar.svelte +533 -383
- package/dist/plot/ColorBar.svelte.d.ts +1 -1
- package/dist/plot/ColorScaleSelect.svelte +28 -7
- package/dist/plot/ElementScatter.svelte +38 -16
- package/dist/plot/FillArea.svelte +152 -92
- package/dist/plot/Histogram.svelte +1162 -709
- package/dist/plot/Histogram.svelte.d.ts +1 -1
- package/dist/plot/HistogramControls.svelte +81 -18
- package/dist/plot/HistogramControls.svelte.d.ts +6 -2
- package/dist/plot/InteractiveAxisLabel.svelte +34 -11
- package/dist/plot/InteractiveAxisLabel.svelte.d.ts +1 -1
- package/dist/plot/Line.svelte +63 -28
- package/dist/plot/PlotControls.svelte +221 -96
- package/dist/plot/PlotControls.svelte.d.ts +1 -1
- package/dist/plot/PlotLegend.svelte +174 -91
- package/dist/plot/PlotTooltip.svelte +45 -6
- package/dist/plot/PortalSelect.svelte +175 -146
- package/dist/plot/ReferenceLine.svelte +77 -22
- package/dist/plot/ReferenceLine.svelte.d.ts +1 -0
- package/dist/plot/ReferenceLine3D.svelte +132 -107
- package/dist/plot/ReferencePlane.svelte +146 -123
- package/dist/plot/ScatterPlot.svelte +1880 -1156
- package/dist/plot/ScatterPlot.svelte.d.ts +3 -3
- package/dist/plot/ScatterPlot3D.svelte +256 -131
- package/dist/plot/ScatterPlot3D.svelte.d.ts +2 -2
- package/dist/plot/ScatterPlot3DControls.svelte +300 -297
- package/dist/plot/ScatterPlot3DControls.svelte.d.ts +2 -1
- package/dist/plot/ScatterPlot3DScene.svelte +608 -406
- package/dist/plot/ScatterPlot3DScene.svelte.d.ts +2 -2
- package/dist/plot/ScatterPlotControls.svelte +150 -70
- package/dist/plot/ScatterPlotControls.svelte.d.ts +1 -1
- package/dist/plot/ScatterPoint.svelte +98 -26
- package/dist/plot/ScatterPoint.svelte.d.ts +1 -0
- package/dist/plot/SpacegroupBarPlot.svelte +142 -85
- package/dist/plot/Surface3D.svelte +159 -108
- package/dist/plot/ZeroLines.svelte +96 -0
- package/dist/plot/ZeroLines.svelte.d.ts +32 -0
- package/dist/plot/ZoomRect.svelte +23 -0
- package/dist/plot/ZoomRect.svelte.d.ts +8 -0
- package/dist/plot/axis-utils.d.ts +1 -1
- package/dist/plot/axis-utils.js +1 -3
- package/dist/plot/data-cleaning.js +12 -28
- package/dist/plot/data-transform.js +2 -1
- package/dist/plot/fill-utils.js +2 -0
- package/dist/plot/index.d.ts +6 -2
- package/dist/plot/index.js +6 -2
- package/dist/plot/interactions.d.ts +8 -10
- package/dist/plot/interactions.js +2 -3
- package/dist/plot/layout.d.ts +11 -2
- package/dist/plot/layout.js +44 -17
- package/dist/plot/reference-line.d.ts +5 -22
- package/dist/plot/reference-line.js +12 -84
- package/dist/plot/scales.js +24 -36
- package/dist/plot/types.d.ts +53 -40
- package/dist/plot/types.js +12 -7
- package/dist/plot/utils/label-placement.d.ts +32 -15
- package/dist/plot/utils/label-placement.js +227 -63
- package/dist/plot/utils/series-visibility.js +2 -3
- package/dist/plot/utils.d.ts +1 -0
- package/dist/plot/utils.js +14 -0
- package/dist/rdf/RdfPlot.svelte +173 -132
- package/dist/rdf/calc-rdf.js +4 -5
- package/dist/sanitize.d.ts +4 -0
- package/dist/sanitize.js +107 -0
- package/dist/settings.d.ts +21 -6
- package/dist/settings.js +63 -19
- package/dist/spectral/Bands.svelte +963 -412
- package/dist/spectral/Bands.svelte.d.ts +22 -2
- package/dist/spectral/BandsAndDos.svelte +90 -49
- package/dist/spectral/BrillouinBandsDos.svelte +151 -93
- package/dist/spectral/Dos.svelte +389 -258
- package/dist/spectral/helpers.d.ts +23 -1
- package/dist/spectral/helpers.js +119 -51
- package/dist/spectral/types.d.ts +2 -0
- package/dist/state.svelte.d.ts +1 -1
- package/dist/state.svelte.js +3 -2
- package/dist/structure/Arrow.svelte +59 -20
- package/dist/structure/AtomLegend.svelte +231 -129
- package/dist/structure/AtomLegend.svelte.d.ts +1 -1
- package/dist/structure/Bond.svelte +73 -47
- package/dist/structure/CanvasTooltip.svelte +10 -2
- package/dist/structure/CellSelect.svelte +148 -51
- package/dist/structure/Cylinder.svelte +33 -17
- package/dist/structure/Lattice.svelte +88 -33
- package/dist/structure/Structure.svelte +1077 -821
- package/dist/structure/Structure.svelte.d.ts +1 -1
- package/dist/structure/StructureControls.svelte +373 -139
- package/dist/structure/StructureControls.svelte.d.ts +1 -1
- package/dist/structure/StructureExportPane.svelte +124 -89
- package/dist/structure/StructureExportPane.svelte.d.ts +1 -1
- package/dist/structure/StructureInfoPane.svelte +304 -231
- package/dist/structure/StructureScene.svelte +919 -445
- package/dist/structure/StructureScene.svelte.d.ts +16 -7
- package/dist/structure/atom-properties.d.ts +6 -2
- package/dist/structure/atom-properties.js +42 -29
- package/dist/structure/bonding.js +6 -7
- package/dist/structure/export.js +22 -34
- package/dist/structure/ferrox-wasm-types.d.ts +3 -2
- package/dist/structure/ferrox-wasm-types.js +0 -3
- package/dist/structure/ferrox-wasm.d.ts +3 -2
- package/dist/structure/ferrox-wasm.js +2 -3
- package/dist/structure/index.d.ts +16 -0
- package/dist/structure/index.js +88 -6
- package/dist/structure/measure.d.ts +2 -2
- package/dist/structure/measure.js +4 -44
- package/dist/structure/parse.js +130 -155
- package/dist/structure/partial-occupancy.d.ts +25 -0
- package/dist/structure/partial-occupancy.js +99 -0
- package/dist/structure/pbc.d.ts +1 -0
- package/dist/structure/pbc.js +16 -6
- package/dist/structure/supercell.d.ts +2 -2
- package/dist/structure/supercell.js +12 -22
- package/dist/structure/validation.js +5 -3
- package/dist/symmetry/SymmetryStats.svelte +94 -37
- package/dist/symmetry/WyckoffTable.svelte +42 -14
- package/dist/symmetry/cell-transform.js +5 -3
- package/dist/symmetry/index.d.ts +7 -4
- package/dist/symmetry/index.js +87 -21
- package/dist/symmetry/spacegroups.js +148 -148
- package/dist/table/HeatmapTable.svelte +1112 -516
- package/dist/table/HeatmapTable.svelte.d.ts +12 -1
- package/dist/table/ToggleMenu.svelte +125 -90
- package/dist/table/index.d.ts +2 -0
- package/dist/table/index.js +2 -4
- package/dist/theme/ThemeControl.svelte +21 -12
- package/dist/time.js +4 -1
- package/dist/tooltip/TooltipContent.svelte +33 -8
- package/dist/trajectory/Trajectory.svelte +889 -687
- package/dist/trajectory/TrajectoryError.svelte +14 -3
- package/dist/trajectory/TrajectoryExportPane.svelte +148 -90
- package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +1 -1
- package/dist/trajectory/TrajectoryInfoPane.svelte +272 -143
- package/dist/trajectory/constants.d.ts +6 -0
- package/dist/trajectory/constants.js +7 -0
- package/dist/trajectory/extract.js +13 -31
- package/dist/trajectory/format-detect.d.ts +9 -0
- package/dist/trajectory/format-detect.js +76 -0
- package/dist/trajectory/frame-reader.d.ts +17 -0
- package/dist/trajectory/frame-reader.js +332 -0
- package/dist/trajectory/helpers.d.ts +14 -0
- package/dist/trajectory/helpers.js +172 -0
- package/dist/trajectory/index.d.ts +1 -0
- package/dist/trajectory/index.js +23 -14
- package/dist/trajectory/parse/ase.d.ts +2 -0
- package/dist/trajectory/parse/ase.js +77 -0
- package/dist/trajectory/parse/hdf5.d.ts +2 -0
- package/dist/trajectory/parse/hdf5.js +129 -0
- package/dist/trajectory/parse/index.d.ts +12 -0
- package/dist/trajectory/parse/index.js +299 -0
- package/dist/trajectory/parse/lammps.d.ts +5 -0
- package/dist/trajectory/parse/lammps.js +179 -0
- package/dist/trajectory/parse/vasp.d.ts +2 -0
- package/dist/trajectory/parse/vasp.js +68 -0
- package/dist/trajectory/parse/xyz.d.ts +2 -0
- package/dist/trajectory/parse/xyz.js +110 -0
- package/dist/trajectory/plotting.js +13 -8
- package/dist/trajectory/types.d.ts +11 -0
- package/dist/trajectory/types.js +1 -0
- package/dist/utils.d.ts +3 -0
- package/dist/utils.js +17 -0
- package/dist/xrd/XrdPlot.svelte +337 -245
- package/dist/xrd/broadening.js +14 -9
- package/dist/xrd/calc-xrd.js +12 -19
- package/dist/xrd/parse.d.ts +1 -1
- package/dist/xrd/parse.js +17 -17
- package/package.json +103 -101
- package/readme.md +4 -4
- package/dist/trajectory/parse.d.ts +0 -42
- package/dist/trajectory/parse.js +0 -1267
- /package/dist/element/{data.json.d.ts → data.json.gz.d.ts} +0 -0
- /package/dist/theme/{themes.js → themes.mjs} +0 -0
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import type { BrillouinZoneData } from './types'
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10
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let {
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export_pane_open = $bindable(false),
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bz_data,
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wrapper,
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scene,
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camera,
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filename = `brillouin-zone`,
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png_dpi = $bindable(150),
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...rest
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}: HTMLAttributes<HTMLDivElement> & {
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export_pane_open?: boolean
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bz_data?: BrillouinZoneData
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wrapper?: HTMLDivElement
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scene?: Scene
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camera?: Camera
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filename?: string
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png_dpi?: number
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} = $props()
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+
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let json_copy_state = $state<ComponentProps<typeof CopyButton>[`state`]>(`ready`)
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+
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function export_as_png() {
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const canvas = wrapper?.querySelector(`canvas`)
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if (!canvas || !scene || !camera) return
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+
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const dpi = Math.max(50, Math.min(600, Math.trunc(png_dpi)))
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const png_name = `${filename}-${bz_data?.order ?? `1`}.png`
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export_canvas_as_png(canvas, png_name, dpi, scene, camera)
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}
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40
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+
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function export_as_json() {
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const json_data = get_json_data()
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if (!json_data || !bz_data) return
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+
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19
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const blob = new Blob([JSON.stringify(json_data, null, 2)], {
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-
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-
})
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const url = URL.createObjectURL(blob)
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const link = document.createElement(`a`)
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link.href = url
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link.download = `${filename}-bz-order-${bz_data.order}.json
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link.click()
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URL.revokeObjectURL(url)
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-
}
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-
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30
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-
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31
|
-
|
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46
|
+
type: `application/json`,
|
|
47
|
+
})
|
|
48
|
+
const url = URL.createObjectURL(blob)
|
|
49
|
+
const link = document.createElement(`a`)
|
|
50
|
+
link.href = url
|
|
51
|
+
link.download = `${filename}-bz-order-${bz_data.order}.json`
|
|
52
|
+
link.click()
|
|
53
|
+
URL.revokeObjectURL(url)
|
|
54
|
+
}
|
|
55
|
+
|
|
56
|
+
function get_json_data() {
|
|
57
|
+
if (!bz_data) return null
|
|
32
58
|
return {
|
|
33
|
-
|
|
34
|
-
|
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35
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-
|
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36
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-
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37
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-
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38
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-
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-
}
|
|
40
|
-
}
|
|
41
|
-
|
|
42
|
-
|
|
43
|
-
|
|
44
|
-
|
|
45
|
-
|
|
46
|
-
copy_status = true;
|
|
47
|
-
setTimeout(() => {
|
|
48
|
-
copy_status = false;
|
|
49
|
-
}, 1000);
|
|
50
|
-
}
|
|
59
|
+
order: bz_data.order,
|
|
60
|
+
volume: bz_data.volume,
|
|
61
|
+
vertices: bz_data.vertices,
|
|
62
|
+
faces: bz_data.faces,
|
|
63
|
+
edges: bz_data.edges,
|
|
64
|
+
reciprocal_lattice: bz_data.k_lattice,
|
|
65
|
+
}
|
|
66
|
+
}
|
|
67
|
+
|
|
68
|
+
let json_string = $derived.by(() => {
|
|
69
|
+
const json_data = get_json_data()
|
|
70
|
+
return json_data ? JSON.stringify(json_data, null, 2) : null
|
|
71
|
+
})
|
|
51
72
|
</script>
|
|
52
73
|
|
|
53
74
|
<DraggablePane
|
|
@@ -97,14 +118,12 @@ async function copy_json() {
|
|
|
97
118
|
>
|
|
98
119
|
⬇
|
|
99
120
|
</button>
|
|
100
|
-
<
|
|
101
|
-
|
|
102
|
-
|
|
103
|
-
disabled={!
|
|
121
|
+
<CopyButton
|
|
122
|
+
content={json_string ?? ``}
|
|
123
|
+
bind:state={json_copy_state}
|
|
124
|
+
disabled={!json_string}
|
|
104
125
|
title="Copy JSON to clipboard"
|
|
105
|
-
|
|
106
|
-
{copy_status ? copy_confirm : `📋`}
|
|
107
|
-
</button>
|
|
126
|
+
/>
|
|
108
127
|
</label>
|
|
109
128
|
</DraggablePane>
|
|
110
129
|
|
|
@@ -10,6 +10,6 @@ type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
|
|
|
10
10
|
filename?: string;
|
|
11
11
|
png_dpi?: number;
|
|
12
12
|
};
|
|
13
|
-
declare const BrillouinZoneExportPane: import("svelte").Component<$$ComponentProps, {}, "
|
|
13
|
+
declare const BrillouinZoneExportPane: import("svelte").Component<$$ComponentProps, {}, "png_dpi" | "export_pane_open">;
|
|
14
14
|
type BrillouinZoneExportPane = ReturnType<typeof BrillouinZoneExportPane>;
|
|
15
15
|
export default BrillouinZoneExportPane;
|
|
@@ -1,76 +1,107 @@
|
|
|
1
|
-
<script lang="ts">
|
|
2
|
-
import {
|
|
3
|
-
import
|
|
4
|
-
|
|
5
|
-
|
|
6
|
-
|
|
7
|
-
|
|
8
|
-
|
|
9
|
-
|
|
1
|
+
<script lang="ts">
|
|
2
|
+
import type { InfoItem } from '../layout'
|
|
3
|
+
import DraggablePane from '../overlays/DraggablePane.svelte'
|
|
4
|
+
import { format_num } from '../labels'
|
|
5
|
+
import { sanitize_html } from '../sanitize'
|
|
6
|
+
import type { Crystal } from '../structure'
|
|
7
|
+
import { analyze_structure_symmetry } from '../symmetry'
|
|
8
|
+
import type { MoyoDataset } from '@spglib/moyo-wasm'
|
|
9
|
+
import type { ComponentProps } from 'svelte'
|
|
10
|
+
import type { BrillouinZoneData } from './types'
|
|
11
|
+
|
|
12
|
+
let {
|
|
13
|
+
pane_open = $bindable(false),
|
|
14
|
+
structure,
|
|
15
|
+
bz_data,
|
|
16
|
+
pane_props = {},
|
|
17
|
+
}: {
|
|
18
|
+
pane_open?: boolean
|
|
19
|
+
structure?: Crystal
|
|
20
|
+
bz_data?: BrillouinZoneData
|
|
21
|
+
pane_props?: ComponentProps<typeof DraggablePane>[`pane_props`]
|
|
22
|
+
} = $props()
|
|
23
|
+
|
|
24
|
+
let sym_data = $state<MoyoDataset | null>(null)
|
|
25
|
+
|
|
26
|
+
$effect(() => {
|
|
27
|
+
sym_data = null
|
|
28
|
+
if (!pane_open || !structure || !(`lattice` in structure)) return
|
|
29
|
+
|
|
10
30
|
analyze_structure_symmetry(structure, {})
|
|
11
|
-
|
|
12
|
-
|
|
13
|
-
})
|
|
14
|
-
|
|
15
|
-
|
|
16
|
-
|
|
17
|
-
const sections = []
|
|
31
|
+
.then((data) => (sym_data = data))
|
|
32
|
+
.catch(console.error)
|
|
33
|
+
})
|
|
34
|
+
|
|
35
|
+
let pane_data = $derived.by(() => {
|
|
36
|
+
if (!structure || !bz_data) return []
|
|
37
|
+
const sections: { title: string; items: InfoItem[] }[] = []
|
|
38
|
+
|
|
18
39
|
// Brillouin Zone section
|
|
19
|
-
const bz_order_suffix = [`st`, `nd`, `rd`][bz_data.order - 1] ?? `th
|
|
40
|
+
const bz_order_suffix = [`st`, `nd`, `rd`][bz_data.order - 1] ?? `th`
|
|
20
41
|
sections.push({
|
|
21
|
-
|
|
22
|
-
|
|
23
|
-
|
|
24
|
-
|
|
25
|
-
|
|
26
|
-
|
|
27
|
-
|
|
28
|
-
|
|
29
|
-
|
|
30
|
-
|
|
31
|
-
|
|
32
|
-
|
|
33
|
-
|
|
34
|
-
|
|
35
|
-
|
|
36
|
-
|
|
37
|
-
|
|
38
|
-
|
|
39
|
-
|
|
40
|
-
|
|
41
|
-
|
|
42
|
-
|
|
43
|
-
|
|
44
|
-
|
|
42
|
+
title: `Brillouin Zone`,
|
|
43
|
+
items: [
|
|
44
|
+
{
|
|
45
|
+
label: `Order`,
|
|
46
|
+
value: `${bz_data.order}${bz_order_suffix}`,
|
|
47
|
+
key: `bz-order`,
|
|
48
|
+
},
|
|
49
|
+
{
|
|
50
|
+
label: `Volume`,
|
|
51
|
+
value: `${format_num(bz_data.volume, `.3f`)} Å⁻³`,
|
|
52
|
+
key: `bz-volume`,
|
|
53
|
+
},
|
|
54
|
+
{
|
|
55
|
+
label: `Vertices / Faces`,
|
|
56
|
+
value: `${bz_data.vertices.length} / ${bz_data.faces.length}`,
|
|
57
|
+
key: `bz-vertices`,
|
|
58
|
+
},
|
|
59
|
+
{
|
|
60
|
+
label: `Space Group`,
|
|
61
|
+
value: `${sym_data?.number ?? ``} ${
|
|
62
|
+
sym_data?.hm_symbol ? `(${sym_data.hm_symbol})` : ``
|
|
63
|
+
}`.trim(),
|
|
64
|
+
key: `space-group`,
|
|
65
|
+
},
|
|
66
|
+
],
|
|
67
|
+
})
|
|
68
|
+
|
|
45
69
|
// Real Lattice section
|
|
46
70
|
sections.push({
|
|
47
|
-
|
|
48
|
-
|
|
49
|
-
|
|
50
|
-
|
|
51
|
-
|
|
52
|
-
|
|
53
|
-
|
|
54
|
-
|
|
55
|
-
|
|
56
|
-
|
|
57
|
-
|
|
58
|
-
|
|
59
|
-
|
|
60
|
-
|
|
61
|
-
|
|
62
|
-
|
|
63
|
-
|
|
64
|
-
|
|
71
|
+
title: `Real Lattice`,
|
|
72
|
+
items: [
|
|
73
|
+
{
|
|
74
|
+
label: `a, b, c`,
|
|
75
|
+
value: `${
|
|
76
|
+
[structure.lattice.a, structure.lattice.b, structure.lattice.c]
|
|
77
|
+
.map((val) => format_num(val, `.3~f`))
|
|
78
|
+
.join(`, `)
|
|
79
|
+
} Å`,
|
|
80
|
+
key: `real-lattice-abc`,
|
|
81
|
+
},
|
|
82
|
+
{
|
|
83
|
+
label: `α, β, γ`,
|
|
84
|
+
value: `${
|
|
85
|
+
[structure.lattice.alpha, structure.lattice.beta, structure.lattice.gamma]
|
|
86
|
+
.map((val) => format_num(val, `.2~f`))
|
|
87
|
+
.join(`, `)
|
|
88
|
+
}°`,
|
|
89
|
+
key: `real-lattice-angles`,
|
|
90
|
+
},
|
|
91
|
+
],
|
|
92
|
+
})
|
|
93
|
+
|
|
65
94
|
// Reciprocal Lattice section
|
|
66
|
-
const k_lattice_items = bz_data.k_lattice.map((vec, idx) => ({
|
|
67
|
-
|
|
68
|
-
|
|
69
|
-
|
|
70
|
-
}))
|
|
71
|
-
|
|
72
|
-
|
|
73
|
-
|
|
95
|
+
const k_lattice_items: InfoItem[] = bz_data.k_lattice.map((vec, idx) => ({
|
|
96
|
+
label: [`b₁`, `b₂`, `b₃`][idx],
|
|
97
|
+
value: `(${vec.map((x) => format_num(x, `.3~f`)).join(`, `)})`,
|
|
98
|
+
key: `reciprocal-${[`b1`, `b2`, `b3`][idx]}`,
|
|
99
|
+
}))
|
|
100
|
+
|
|
101
|
+
sections.push({ title: `Reciprocal Lattice (Å⁻¹)`, items: k_lattice_items })
|
|
102
|
+
|
|
103
|
+
return sections
|
|
104
|
+
})
|
|
74
105
|
</script>
|
|
75
106
|
|
|
76
107
|
{#if structure && bz_data}
|
|
@@ -88,7 +119,7 @@ let pane_data = $derived.by(() => {
|
|
|
88
119
|
{#each section.items as item (item.key ?? item.label)}
|
|
89
120
|
<div class="info-item">
|
|
90
121
|
<span>{item.label}</span>
|
|
91
|
-
<span>{@html item.value}</span>
|
|
122
|
+
<span>{@html sanitize_html(item.value)}</span>
|
|
92
123
|
</div>
|
|
93
124
|
{/each}
|
|
94
125
|
</section>
|