matterviz 0.4.0 → 0.4.2
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 +12 -14
- package/dist/Icon.svelte +7 -4
- package/dist/MillerIndexInput.svelte +2 -2
- package/dist/app.css +53 -0
- package/dist/brillouin/BrillouinZone.svelte +132 -219
- package/dist/brillouin/BrillouinZone.svelte.d.ts +9 -20
- package/dist/brillouin/BrillouinZoneControls.svelte +3 -6
- package/dist/brillouin/BrillouinZoneExportPane.svelte +47 -96
- package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +1 -1
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +15 -42
- package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +2 -3
- package/dist/brillouin/BrillouinZoneScene.svelte +63 -230
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +3 -23
- package/dist/brillouin/ReciprocalVectors.svelte +39 -0
- package/dist/brillouin/ReciprocalVectors.svelte.d.ts +9 -0
- package/dist/brillouin/compute.d.ts +2 -0
- package/dist/brillouin/compute.js +80 -77
- package/dist/brillouin/geometry.d.ts +8 -0
- package/dist/brillouin/geometry.js +57 -0
- package/dist/brillouin/index.d.ts +2 -0
- package/dist/brillouin/index.js +2 -0
- package/dist/brillouin/types.d.ts +2 -2
- package/dist/chempot-diagram/ChemPotDiagram.svelte +33 -38
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +1 -1
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +143 -246
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +4 -1
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +652 -976
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +7 -1
- package/dist/chempot-diagram/async-compute.svelte.js +1 -1
- package/dist/chempot-diagram/color.d.ts +3 -6
- package/dist/chempot-diagram/color.js +5 -5
- package/dist/chempot-diagram/compute.d.ts +3 -3
- package/dist/chempot-diagram/compute.js +3 -1
- package/dist/chempot-diagram/controls-state.svelte.d.ts +10 -0
- package/dist/chempot-diagram/controls-state.svelte.js +42 -0
- package/dist/chempot-diagram/export.d.ts +47 -0
- package/dist/chempot-diagram/export.js +133 -0
- package/dist/chempot-diagram/index.d.ts +1 -0
- package/dist/chempot-diagram/index.js +1 -0
- package/dist/chempot-diagram/pointer.d.ts +0 -10
- package/dist/chempot-diagram/pointer.js +4 -4
- package/dist/chempot-diagram/types.d.ts +3 -3
- package/dist/colors/index.d.ts +0 -4
- package/dist/colors/index.js +21 -22
- package/dist/composition/BarChart.svelte +37 -31
- package/dist/composition/BubbleChart.svelte +17 -17
- package/dist/composition/Composition.svelte +7 -11
- package/dist/composition/Formula.svelte +18 -25
- package/dist/composition/FormulaFilter.svelte +96 -98
- package/dist/composition/PieChart.svelte +60 -46
- package/dist/composition/chem-sys.js +3 -2
- package/dist/composition/format.js +4 -3
- package/dist/composition/index.d.ts +2 -0
- package/dist/composition/index.js +14 -0
- package/dist/composition/parse.d.ts +2 -3
- package/dist/composition/parse.js +27 -28
- package/dist/constants.js +11 -9
- package/dist/controls.d.ts +1 -0
- package/dist/controls.js +0 -1
- package/dist/convex-hull/ConvexHull.svelte +20 -25
- package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -4
- package/dist/convex-hull/ConvexHull2D.svelte +176 -256
- package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull3D.svelte +269 -804
- package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull4D.svelte +236 -755
- package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHullChrome.svelte +264 -0
- package/dist/convex-hull/ConvexHullChrome.svelte.d.ts +30 -0
- package/dist/convex-hull/ConvexHullControls.svelte +128 -49
- package/dist/convex-hull/ConvexHullControls.svelte.d.ts +7 -6
- package/dist/convex-hull/ConvexHullInfoPane.svelte +18 -5
- package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +6 -5
- package/dist/convex-hull/ConvexHullStats.svelte +210 -351
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +3 -1
- package/dist/convex-hull/ConvexHullTooltip.svelte +16 -14
- package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +2 -1
- package/dist/convex-hull/GasPressureControls.svelte +5 -12
- package/dist/convex-hull/StructurePopup.svelte +17 -21
- package/dist/convex-hull/StructurePopup.svelte.d.ts +2 -0
- package/dist/convex-hull/TemperatureSlider.svelte +4 -10
- package/dist/convex-hull/barycentric-coords.d.ts +2 -4
- package/dist/convex-hull/barycentric-coords.js +6 -33
- package/dist/convex-hull/canvas-interactions.svelte.d.ts +79 -0
- package/dist/convex-hull/canvas-interactions.svelte.js +279 -0
- package/dist/convex-hull/helpers.d.ts +47 -17
- package/dist/convex-hull/helpers.js +186 -101
- package/dist/convex-hull/hull-state.svelte.d.ts +44 -0
- package/dist/convex-hull/hull-state.svelte.js +124 -0
- package/dist/convex-hull/index.d.ts +9 -7
- package/dist/convex-hull/index.js +7 -2
- package/dist/convex-hull/thermodynamics.js +109 -937
- package/dist/convex-hull/types.d.ts +12 -4
- package/dist/convex-hull/types.js +12 -0
- package/dist/coordination/CoordinationBarPlot.svelte +41 -43
- 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 +6 -8
- 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 +24 -29
- package/dist/element/ElementTile.svelte.d.ts +1 -1
- package/dist/element/Nucleus.svelte +4 -2
- package/dist/element/data.d.ts +1 -2
- package/dist/element/helpers.d.ts +4 -0
- package/dist/element/helpers.js +18 -0
- package/dist/element/index.d.ts +1 -0
- package/dist/element/index.js +3 -0
- package/dist/feedback/DragOverlay.svelte +5 -3
- package/dist/feedback/DragOverlay.svelte.d.ts +2 -1
- package/dist/feedback/StatusMessage.svelte +20 -7
- package/dist/fermi-surface/FermiSlice.svelte +21 -18
- package/dist/fermi-surface/FermiSurface.svelte +78 -165
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +9 -20
- package/dist/fermi-surface/FermiSurfaceControls.svelte +6 -20
- package/dist/fermi-surface/FermiSurfaceScene.svelte +93 -272
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +3 -23
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte +9 -6
- package/dist/fermi-surface/compute.js +14 -13
- package/dist/fermi-surface/export.js +4 -15
- package/dist/fermi-surface/index.d.ts +0 -1
- package/dist/fermi-surface/index.js +0 -1
- package/dist/fermi-surface/parse.d.ts +1 -1
- package/dist/fermi-surface/parse.js +84 -97
- package/dist/fermi-surface/types.d.ts +2 -2
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +161 -185
- package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +6 -5
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +12 -9
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +5 -5
- package/dist/heatmap-matrix/index.d.ts +8 -2
- package/dist/icons.d.ts +4 -0
- package/dist/icons.js +4 -0
- package/dist/index.d.ts +1 -0
- package/dist/index.js +1 -0
- package/dist/io/ExportPane.svelte +170 -0
- package/dist/io/ExportPane.svelte.d.ts +17 -0
- package/dist/io/decompress.d.ts +2 -1
- package/dist/io/decompress.js +22 -36
- package/dist/io/export.d.ts +9 -1
- package/dist/io/export.js +37 -29
- package/dist/io/fetch.d.ts +2 -4
- package/dist/io/fetch.js +0 -11
- package/dist/io/file-drop.d.ts +7 -0
- package/dist/io/file-drop.js +13 -0
- package/dist/io/index.d.ts +1 -0
- package/dist/io/index.js +3 -0
- package/dist/io/is-binary.d.ts +9 -0
- package/dist/io/is-binary.js +45 -1
- package/dist/io/types.d.ts +13 -0
- package/dist/io/url-drop.js +13 -25
- package/dist/isosurface/Isosurface.svelte +17 -23
- package/dist/isosurface/IsosurfaceControls.svelte +37 -42
- package/dist/isosurface/parse-vaspwave.d.ts +3 -0
- package/dist/isosurface/parse-vaspwave.js +138 -0
- package/dist/isosurface/parse.js +50 -48
- package/dist/labels.d.ts +6 -2
- package/dist/labels.js +44 -14
- package/dist/layout/FullscreenButton.svelte +34 -0
- package/dist/layout/FullscreenButton.svelte.d.ts +10 -0
- package/dist/layout/FullscreenToggle.svelte +12 -12
- package/dist/layout/InfoCard.svelte +7 -18
- 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 +21 -17
- package/dist/layout/SubpageGrid.svelte +3 -1
- package/dist/layout/ViewerChrome.svelte +115 -0
- package/dist/layout/ViewerChrome.svelte.d.ts +18 -0
- package/dist/layout/fullscreen.d.ts +4 -0
- package/dist/layout/fullscreen.js +3 -5
- package/dist/layout/fullscreen.svelte.d.ts +8 -0
- package/dist/layout/fullscreen.svelte.js +36 -0
- package/dist/layout/index.d.ts +4 -0
- package/dist/layout/index.js +4 -0
- package/dist/layout/json-tree/JsonNode.svelte +8 -11
- package/dist/layout/json-tree/JsonTree.svelte +53 -77
- package/dist/layout/json-tree/JsonValue.svelte +7 -15
- package/dist/layout/json-tree/utils.js +14 -23
- package/dist/math.d.ts +9 -3
- package/dist/math.js +37 -21
- package/dist/overlays/ContextMenu.svelte +4 -2
- package/dist/overlays/CopyButton.svelte +11 -5
- package/dist/overlays/DragControlTab.svelte +6 -1
- package/dist/overlays/DraggablePane.svelte +81 -26
- package/dist/overlays/DraggablePane.svelte.d.ts +1 -0
- package/dist/overlays/GlassChip.svelte +30 -0
- package/dist/overlays/GlassChip.svelte.d.ts +8 -0
- package/dist/overlays/InfoPaneCards.svelte +11 -23
- package/dist/overlays/index.d.ts +11 -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 +115 -146
- package/dist/periodic-table/PeriodicTable.svelte.d.ts +5 -3
- package/dist/periodic-table/PeriodicTableControls.svelte +11 -63
- package/dist/periodic-table/TableInset.svelte +9 -4
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +50 -71
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -8
- package/dist/phase-diagram/PhaseDiagramControls.svelte +73 -96
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +4 -3
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +4 -2
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +2 -3
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +49 -134
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +3 -4
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +54 -58
- package/dist/phase-diagram/TdbInfoPanel.svelte +21 -15
- package/dist/phase-diagram/build-diagram.js +3 -3
- package/dist/phase-diagram/colors.js +1 -1
- package/dist/phase-diagram/diagram-input.d.ts +1 -2
- package/dist/phase-diagram/parse.d.ts +2 -1
- package/dist/phase-diagram/parse.js +15 -15
- package/dist/phase-diagram/svg-to-diagram.js +21 -15
- package/dist/phase-diagram/utils.js +2 -3
- package/dist/plot/bar/BarPlot.svelte +494 -692
- package/dist/plot/bar/BarPlot.svelte.d.ts +9 -15
- package/dist/plot/bar/BarPlotControls.svelte +1 -3
- package/dist/plot/bar/BarPlotControls.svelte.d.ts +5 -7
- package/dist/plot/bar/SpacegroupBarPlot.svelte +31 -37
- package/dist/plot/bar/data.d.ts +5 -4
- package/dist/plot/bar/data.js +2 -1
- package/dist/plot/box/BoxPlot.svelte +361 -439
- package/dist/plot/box/BoxPlot.svelte.d.ts +6 -3
- package/dist/plot/box/BoxPlotControls.svelte.d.ts +1 -1
- package/dist/plot/box/Violin.svelte.d.ts +2 -1
- package/dist/plot/box/box-plot.d.ts +3 -2
- package/dist/plot/box/box-plot.js +6 -3
- package/dist/plot/box/kde.d.ts +2 -1
- package/dist/plot/box/kde.js +4 -4
- package/dist/plot/core/auto-place.d.ts +1 -1
- package/dist/plot/core/auto-place.js +5 -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 +106 -111
- package/dist/plot/core/components/ColorBar.svelte.d.ts +5 -4
- 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 +21 -11
- package/dist/plot/core/components/Line.svelte.d.ts +5 -2
- package/dist/plot/core/components/PlotAxis.svelte +42 -18
- package/dist/plot/core/components/PlotAxis.svelte.d.ts +2 -1
- package/dist/plot/core/components/PlotControls.svelte +65 -41
- package/dist/plot/core/components/PlotControls.svelte.d.ts +1 -1
- 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 +56 -59
- package/dist/plot/core/components/ReferenceLine3D.svelte.d.ts +4 -4
- package/dist/plot/core/components/ReferencePlane.svelte +9 -10
- package/dist/plot/core/components/ReferencePlane.svelte.d.ts +4 -4
- 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 +29 -476
- package/dist/plot/core/data-transform.js +9 -5
- package/dist/plot/core/fill-utils.d.ts +7 -4
- package/dist/plot/core/fill-utils.js +34 -9
- package/dist/plot/core/index.d.ts +1 -0
- package/dist/plot/core/index.js +1 -0
- package/dist/plot/core/interactions.d.ts +5 -1
- package/dist/plot/core/interactions.js +14 -2
- package/dist/plot/core/layout.d.ts +3 -1
- package/dist/plot/core/layout.js +22 -13
- 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 +35 -0
- package/dist/plot/core/pan-zoom.svelte.js +221 -0
- package/dist/plot/core/placed-tween.svelte.d.ts +21 -0
- package/dist/plot/core/placed-tween.svelte.js +68 -0
- package/dist/plot/core/reference-line.d.ts +10 -10
- package/dist/plot/core/reference-line.js +7 -7
- package/dist/plot/core/scales.d.ts +40 -25
- package/dist/plot/core/scales.js +49 -21
- package/dist/plot/core/svg.d.ts +2 -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 +47 -331
- package/dist/plot/core/types.js +23 -20
- package/dist/plot/core/utils/hierarchy-chart.d.ts +51 -0
- package/dist/plot/core/utils/hierarchy-chart.js +179 -0
- package/dist/plot/core/utils/hierarchy-labels.d.ts +20 -0
- package/dist/plot/core/utils/hierarchy-labels.js +99 -0
- package/dist/plot/core/utils/label-placement.d.ts +1 -1
- package/dist/plot/core/utils/label-placement.js +5 -5
- package/dist/plot/core/utils.d.ts +2 -1
- package/dist/plot/histogram/Histogram.svelte +373 -631
- package/dist/plot/histogram/Histogram.svelte.d.ts +7 -7
- package/dist/plot/histogram/HistogramControls.svelte +30 -28
- package/dist/plot/histogram/HistogramControls.svelte.d.ts +1 -1
- 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 +79 -73
- package/dist/plot/sankey/Sankey.svelte.d.ts +3 -3
- package/dist/plot/sankey/SankeyControls.svelte +22 -16
- package/dist/plot/sankey/sankey.js +3 -1
- package/dist/plot/scatter/BinnedScatterPlot.svelte +264 -112
- package/dist/plot/scatter/BinnedScatterPlot.svelte.d.ts +11 -4
- package/dist/plot/scatter/ElementScatter.svelte +4 -1
- package/dist/plot/scatter/ScatterPlot.svelte +623 -821
- package/dist/plot/scatter/ScatterPlot.svelte.d.ts +9 -15
- 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/binned-scatter-types.d.ts +6 -12
- package/dist/plot/scatter/binned-scatter-types.js +6 -1
- package/dist/plot/scatter/index.d.ts +1 -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 +40 -60
- package/dist/plot/scatter-3d/ScatterPlot3D.svelte.d.ts +6 -14
- package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte +17 -15
- package/dist/plot/scatter-3d/ScatterPlot3DControls.svelte.d.ts +5 -5
- package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte +232 -234
- package/dist/plot/scatter-3d/ScatterPlot3DScene.svelte.d.ts +5 -14
- package/dist/plot/scatter-3d/Surface3D.svelte +9 -17
- package/dist/plot/scatter-3d/Surface3D.svelte.d.ts +4 -3
- package/dist/plot/sunburst/Sunburst.svelte +256 -338
- package/dist/plot/sunburst/Sunburst.svelte.d.ts +4 -3
- 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 +14 -4
- package/dist/plot/treemap/Treemap.svelte +907 -0
- package/dist/plot/treemap/Treemap.svelte.d.ts +84 -0
- package/dist/plot/treemap/index.d.ts +3 -0
- package/dist/plot/treemap/index.js +4 -0
- package/dist/plot/treemap/treemap.d.ts +26 -0
- package/dist/plot/treemap/treemap.js +99 -0
- package/dist/rdf/RdfPlot.svelte +22 -26
- package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
- package/dist/rdf/calc-rdf.js +4 -8
- package/dist/sanitize.js +14 -3
- package/dist/scene/SceneCamera.svelte +62 -0
- package/dist/scene/SceneCamera.svelte.d.ts +19 -0
- package/dist/scene/bind-renderer.svelte.d.ts +2 -0
- package/dist/scene/bind-renderer.svelte.js +22 -0
- package/dist/scene/index.d.ts +4 -0
- package/dist/scene/index.js +5 -0
- package/dist/scene/props.js +52 -0
- package/dist/scene/types.d.ts +26 -0
- package/dist/scene/types.js +1 -0
- package/dist/settings.d.ts +33 -11
- package/dist/settings.js +136 -51
- package/dist/spectral/Bands.svelte +231 -237
- package/dist/spectral/Bands.svelte.d.ts +3 -2
- package/dist/spectral/BandsAndDos.svelte +29 -29
- package/dist/spectral/BrillouinBandsDos.svelte +21 -29
- package/dist/spectral/Dos.svelte +75 -77
- package/dist/spectral/Dos.svelte.d.ts +2 -1
- package/dist/spectral/helpers.d.ts +9 -9
- package/dist/spectral/helpers.js +66 -70
- package/dist/state.svelte.d.ts +0 -7
- package/dist/state.svelte.js +5 -24
- package/dist/structure/Arrow.svelte +6 -21
- package/dist/structure/ArrowInstances.svelte +160 -0
- package/dist/structure/ArrowInstances.svelte.d.ts +16 -0
- package/dist/structure/AtomLegend.svelte +115 -75
- package/dist/structure/AtomLegend.svelte.d.ts +1 -1
- package/dist/structure/Bond.svelte +31 -23
- package/dist/structure/CanvasTooltip.svelte +16 -3
- package/dist/structure/CellSelect.svelte +22 -29
- package/dist/structure/CellSelect.svelte.d.ts +2 -1
- 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 +725 -735
- package/dist/structure/Structure.svelte.d.ts +8 -16
- package/dist/structure/StructureCarousel.svelte +630 -0
- package/dist/structure/StructureCarousel.svelte.d.ts +19 -0
- package/dist/structure/StructureControls.svelte +298 -325
- package/dist/structure/StructureControls.svelte.d.ts +5 -3
- package/dist/structure/StructureExportPane.svelte +62 -168
- package/dist/structure/StructureExportPane.svelte.d.ts +4 -5
- package/dist/structure/StructureInfoPane.svelte +77 -69
- package/dist/structure/StructureInfoPane.svelte.d.ts +6 -6
- package/dist/structure/StructureScene.svelte +758 -600
- package/dist/structure/StructureScene.svelte.d.ts +24 -20
- package/dist/structure/StructureViewport.svelte +386 -0
- package/dist/structure/StructureViewport.svelte.d.ts +63 -0
- package/dist/structure/atom-label-placement.d.ts +18 -0
- package/dist/structure/atom-label-placement.js +115 -0
- package/dist/structure/atom-properties.d.ts +3 -1
- package/dist/structure/atom-properties.js +115 -54
- package/dist/structure/bond-order-perception.js +2 -4
- package/dist/structure/bonding.d.ts +12 -2
- package/dist/structure/bonding.js +172 -73
- package/dist/structure/edit-history.d.ts +6 -0
- package/dist/structure/edit-history.js +27 -0
- package/dist/structure/export.d.ts +25 -4
- package/dist/structure/export.js +103 -153
- package/dist/structure/format-detect.d.ts +1 -0
- package/dist/structure/format-detect.js +22 -0
- package/dist/structure/geometry.d.ts +9 -0
- package/dist/structure/geometry.js +27 -0
- package/dist/structure/index.d.ts +18 -1
- package/dist/structure/index.js +15 -2
- package/dist/structure/measure.d.ts +1 -1
- package/dist/structure/measure.js +6 -12
- package/dist/structure/parse.d.ts +5 -3
- package/dist/structure/parse.js +551 -567
- package/dist/structure/partial-occupancy.d.ts +0 -1
- package/dist/structure/partial-occupancy.js +5 -3
- package/dist/structure/pbc.d.ts +1 -1
- package/dist/structure/pbc.js +204 -51
- package/dist/structure/polyhedra.d.ts +40 -0
- package/dist/structure/polyhedra.js +587 -0
- package/dist/structure/site.d.ts +4 -0
- package/dist/structure/site.js +1 -0
- package/dist/structure/supercell.d.ts +1 -2
- package/dist/structure/supercell.js +10 -15
- package/dist/structure/validation.js +5 -6
- package/dist/symmetry/SymmetryElementControls.svelte +69 -0
- package/dist/symmetry/SymmetryElementControls.svelte.d.ts +9 -0
- package/dist/symmetry/SymmetryElements.svelte +350 -0
- package/dist/symmetry/SymmetryElements.svelte.d.ts +24 -0
- package/dist/symmetry/SymmetryStats.svelte +142 -49
- package/dist/symmetry/WyckoffTable.svelte +58 -16
- package/dist/symmetry/WyckoffTable.svelte.d.ts +3 -0
- package/dist/symmetry/cell-transform.js +8 -14
- package/dist/symmetry/index.d.ts +15 -4
- package/dist/symmetry/index.js +308 -81
- package/dist/symmetry/spacegroups.d.ts +5 -1
- package/dist/symmetry/spacegroups.js +18 -3
- package/dist/symmetry/symmetry-elements.d.ts +33 -0
- package/dist/symmetry/symmetry-elements.js +521 -0
- package/dist/symmetry/wyckoff-db.d.ts +9 -0
- package/dist/symmetry/wyckoff-db.js +87 -0
- package/dist/table/HeatmapTable.svelte +1104 -378
- package/dist/table/HeatmapTable.svelte.d.ts +12 -2
- package/dist/table/ToggleMenu.svelte +5 -12
- 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/index.d.ts +1 -5
- package/dist/theme/index.js +4 -10
- package/dist/theme/themes.mjs +14 -7
- package/dist/tooltip/KCoords.svelte +4 -1
- package/dist/tooltip/TooltipContent.svelte +2 -5
- package/dist/trajectory/Trajectory.svelte +556 -352
- package/dist/trajectory/Trajectory.svelte.d.ts +10 -22
- package/dist/trajectory/TrajectoryError.svelte +11 -8
- package/dist/trajectory/TrajectoryExportPane.svelte +28 -54
- package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +4 -5
- package/dist/trajectory/TrajectoryInfoPane.svelte +88 -99
- package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +3 -2
- package/dist/trajectory/constants.js +6 -2
- package/dist/trajectory/extract.js +73 -71
- package/dist/trajectory/format-detect.d.ts +0 -1
- package/dist/trajectory/format-detect.js +13 -17
- package/dist/trajectory/frame-reader.d.ts +2 -1
- package/dist/trajectory/frame-reader.js +74 -136
- package/dist/trajectory/helpers.d.ts +12 -2
- package/dist/trajectory/helpers.js +68 -37
- package/dist/trajectory/index.d.ts +1 -0
- package/dist/trajectory/index.js +3 -0
- package/dist/trajectory/parse/ase.d.ts +9 -1
- package/dist/trajectory/parse/ase.js +47 -32
- package/dist/trajectory/parse/diagnostics.d.ts +3 -0
- package/dist/trajectory/parse/diagnostics.js +14 -0
- 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 +3 -4
- package/dist/trajectory/parse/index.js +68 -119
- package/dist/trajectory/parse/lammps.d.ts +0 -2
- package/dist/trajectory/parse/lammps.js +14 -16
- package/dist/trajectory/parse/pymatgen.d.ts +2 -0
- package/dist/trajectory/parse/pymatgen.js +74 -0
- package/dist/trajectory/parse/vasp.js +13 -9
- 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 +5 -0
- package/dist/trajectory/parse/vaspout-h5.js +284 -0
- package/dist/trajectory/parse/xyz.d.ts +9 -21
- package/dist/trajectory/parse/xyz.js +38 -39
- package/dist/trajectory/plotting.d.ts +8 -10
- package/dist/trajectory/plotting.js +102 -127
- package/dist/utils.d.ts +4 -0
- package/dist/utils.js +8 -1
- package/dist/xrd/XrdPlot.svelte +56 -85
- package/dist/xrd/broadening.d.ts +2 -1
- package/dist/xrd/broadening.js +2 -1
- package/dist/xrd/calc-xrd.js +8 -15
- package/dist/xrd/index.d.ts +2 -2
- package/dist/xrd/parse.d.ts +0 -1
- package/dist/xrd/parse.js +56 -73
- package/package.json +77 -36
- package/dist/api/mp.d.ts +0 -6
- package/dist/api/mp.js +0 -22
- package/dist/element/data.json +0 -11864
- package/dist/fermi-surface/marching-cubes.d.ts +0 -2
- package/dist/fermi-surface/marching-cubes.js +0 -2
- package/dist/plot/core/hover-lock.svelte.d.ts +0 -14
- package/dist/plot/core/hover-lock.svelte.js +0 -45
- package/dist/plot/sunburst/SunburstControls.svelte +0 -200
- package/dist/structure/label-placement.d.ts +0 -14
- package/dist/structure/label-placement.js +0 -72
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class:hovered={hovered_element === bubble.element}
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>
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<div class="bubble-label" style:color={bubble.text_color}>
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<span class="element-symbol" style:font-size="{14 * bubble.font_scale}px"
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bubble.element
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<span class="element-symbol" style:font-size="{14 * bubble.font_scale}px"
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>{bubble.element}</span
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>
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{#if show_amounts}
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<sub class="amount" style:font-size="{8 * bubble.font_scale}px"
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bubble.amount
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>{bubble.amount}</sub
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>
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{/if}
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</foreignObject>
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cursor: pointer;
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filter: brightness(1.1);
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}
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.bubble.interactive:focus {
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let current_mode = $state(untrack(() => mode))
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let svg_node = $state<SVGSVGElement | null>(null)
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let Component = $derived(
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{ pie: PieChart, bubble: BubbleChart, bar: BarChart }[current_mode],
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)
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+
let Component = $derived({ pie: PieChart, bubble: BubbleChart, bar: BarChart }[current_mode])
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let parsed: CompositionType = $derived.by(() => {
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try {
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return parse_composition(composition)
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@@ -46,13 +44,14 @@
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let context_menu = $state({ open: false, x: 0, y: 0 })
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function handle_right_click(event: MouseEvent) {
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+
function handle_right_click(event: MouseEvent) {
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+
// open context menu
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event.preventDefault()
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context_menu.open = false // Close any existing context menu first
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context_menu.x = event.pageX
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context_menu.y = event.pageY
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// Use a small delay to ensure the prev context menu closes happens before opening new one
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-
setTimeout(() => context_menu.open = true, 0)
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+
setTimeout(() => (context_menu.open = true), 0)
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}
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const mode_options = [
|
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@@ -89,10 +88,7 @@
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89
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{ title: sec_titles.export, options: export_options },
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] as const
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function handle_context_menu_select(
|
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section_title: string,
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-
option: { value: string },
|
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) {
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+
function handle_context_menu_select(section_title: string, option: { value: string }) {
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if (section_title === sec_titles.display_mode) {
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current_mode = option.value as CompositionChartMode
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} else if (section_title === sec_titles.color_scheme) {
|
|
@@ -147,7 +143,7 @@
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aria-haspopup="menu"
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aria-expanded={context_menu.open}
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{...rest}
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|
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-
class=
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+
class={[`composition`, rest.class]}
|
|
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/>
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|
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{#if context_menu.open}
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@@ -160,6 +156,6 @@
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on_select={handle_context_menu_select}
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position={context_menu}
|
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visible={context_menu.open}
|
|
163
|
-
on_close={() => context_menu.open = false}
|
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|
+
on_close={() => (context_menu.open = false)}
|
|
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|
/>
|
|
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{/if}
|
|
@@ -6,11 +6,7 @@
|
|
|
6
6
|
import ElementTile from '../element/ElementTile.svelte'
|
|
7
7
|
import { format_num } from '../labels'
|
|
8
8
|
import type { HTMLAttributes } from 'svelte/elements'
|
|
9
|
-
import {
|
|
10
|
-
format_oxi_state,
|
|
11
|
-
sort_by_electronegativity,
|
|
12
|
-
sort_by_hill_notation,
|
|
13
|
-
} from './format'
|
|
9
|
+
import { format_oxi_state, sort_by_electronegativity, sort_by_hill_notation } from './format'
|
|
14
10
|
import type { ElementWithOxidation, OxiComposition } from './parse'
|
|
15
11
|
import { oxi_composition_to_elements, parse_formula_with_oxidation } from './parse'
|
|
16
12
|
|
|
@@ -63,9 +59,7 @@
|
|
|
63
59
|
return sorted[0] === el1.element ? -1 : 1
|
|
64
60
|
},
|
|
65
61
|
}
|
|
66
|
-
const sorted_elements = $derived(
|
|
67
|
-
[...parsed_elements].sort(COMPARATORS[ordering]),
|
|
68
|
-
)
|
|
62
|
+
const sorted_elements = $derived([...parsed_elements].sort(COMPARATORS[ordering]))
|
|
69
63
|
|
|
70
64
|
let hovered_element = $state<ElementSymbol | null>(null)
|
|
71
65
|
let tooltip_pos = $state({ x: 0, y: 0 })
|
|
@@ -97,7 +91,8 @@
|
|
|
97
91
|
if (
|
|
98
92
|
!formula_el.contains(selection.anchorNode) ||
|
|
99
93
|
!formula_el.contains(selection.focusNode)
|
|
100
|
-
)
|
|
94
|
+
)
|
|
95
|
+
return // Selection extends outside formula, let browser handle normally
|
|
101
96
|
event.preventDefault()
|
|
102
97
|
event.clipboardData?.setData(`text/plain`, plain_text_formula)
|
|
103
98
|
}
|
|
@@ -106,8 +101,8 @@
|
|
|
106
101
|
element: ElementSymbol,
|
|
107
102
|
event: MouseEvent & { currentTarget: HTMLElement },
|
|
108
103
|
) {
|
|
109
|
-
const { left, width, top, bottom, right, height } =
|
|
110
|
-
.getBoundingClientRect()
|
|
104
|
+
const { left, width, top, bottom, right, height } =
|
|
105
|
+
event.currentTarget.getBoundingClientRect()
|
|
111
106
|
hovered_element = element
|
|
112
107
|
|
|
113
108
|
const positions = {
|
|
@@ -121,12 +116,7 @@
|
|
|
121
116
|
}
|
|
122
117
|
</script>
|
|
123
118
|
|
|
124
|
-
<svelte:element
|
|
125
|
-
this={as}
|
|
126
|
-
{...rest}
|
|
127
|
-
class="formula {rest.class ?? ``}"
|
|
128
|
-
oncopy={handle_copy}
|
|
129
|
-
>
|
|
119
|
+
<svelte:element this={as} {...rest} class={[`formula`, rest.class]} oncopy={handle_copy}>
|
|
130
120
|
{#each sorted_elements as { element, amount, oxidation_state } (element)}
|
|
131
121
|
{@const color = ELEMENT_COLOR_SCHEMES[color_scheme]?.[element] ?? `#666666`}
|
|
132
122
|
{@const lum = luminance(color)}
|
|
@@ -151,14 +141,16 @@
|
|
|
151
141
|
class:light-border={lum < 0.15}
|
|
152
142
|
style:color
|
|
153
143
|
>
|
|
154
|
-
{element}</span
|
|
155
|
-
|
|
144
|
+
{element}</span
|
|
145
|
+
>
|
|
146
|
+
<span class="script-wrapper"
|
|
147
|
+
>{#if has_oxidation}
|
|
156
148
|
<sup class="oxi">{format_oxi_state(oxidation_state)}</sup>
|
|
157
149
|
{/if}
|
|
158
150
|
{#if amount !== 1}
|
|
159
|
-
<sub class="amt" class:no-sup={!has_oxidation}
|
|
160
|
-
format_num(amount, amount_format)
|
|
161
|
-
|
|
151
|
+
<sub class="amt" class:no-sup={!has_oxidation}
|
|
152
|
+
>{format_num(amount, amount_format)}</sub
|
|
153
|
+
>
|
|
162
154
|
{/if}
|
|
163
155
|
</span>
|
|
164
156
|
</span>
|
|
@@ -167,8 +159,8 @@
|
|
|
167
159
|
|
|
168
160
|
{#if hovered_elem_data}
|
|
169
161
|
{@const { x, y } = tooltip_pos}
|
|
170
|
-
{@const tile_color =
|
|
171
|
-
`#666666`}
|
|
162
|
+
{@const tile_color =
|
|
163
|
+
ELEMENT_COLOR_SCHEMES[color_scheme]?.[hovered_elem_data.symbol] ?? `#666666`}
|
|
172
164
|
{@const transforms = {
|
|
173
165
|
top: `translate(-50%, -100%)`,
|
|
174
166
|
bottom: `translateX(-50%)`,
|
|
@@ -250,7 +242,8 @@
|
|
|
250
242
|
.script-wrapper:empty {
|
|
251
243
|
display: none;
|
|
252
244
|
}
|
|
253
|
-
.amt,
|
|
245
|
+
.amt,
|
|
246
|
+
.oxi {
|
|
254
247
|
font-size: var(--formula-script-font-size, 0.7em);
|
|
255
248
|
line-height: var(--formula-script-inner-line-height, 1);
|
|
256
249
|
}
|