matterviz 0.3.6 → 0.3.7
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/EmptyState.svelte.d.ts +9 -0
- package/dist/FilePicker.svelte +360 -0
- package/dist/FilePicker.svelte.d.ts +17 -0
- package/dist/Icon.svelte.d.ts +13 -0
- package/dist/MillerIndexInput.svelte +66 -0
- package/dist/MillerIndexInput.svelte.d.ts +7 -0
- package/dist/api/mp.d.ts +6 -0
- package/dist/api/mp.js +22 -0
- package/dist/api/optimade.d.ts +45 -0
- package/dist/api/optimade.js +135 -0
- package/dist/brillouin/BrillouinZone.svelte +549 -0
- package/dist/brillouin/BrillouinZone.svelte.d.ts +83 -0
- package/dist/brillouin/BrillouinZoneControls.svelte +144 -0
- package/dist/brillouin/BrillouinZoneControls.svelte.d.ts +17 -0
- package/dist/brillouin/BrillouinZoneExportPane.svelte +146 -0
- package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +15 -0
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +146 -0
- package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +13 -0
- package/dist/brillouin/BrillouinZoneScene.svelte +476 -0
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +48 -0
- package/dist/brillouin/BrillouinZoneTooltip.svelte +92 -0
- package/dist/brillouin/BrillouinZoneTooltip.svelte.d.ts +8 -0
- package/dist/brillouin/compute.d.ts +17 -0
- package/dist/brillouin/compute.js +426 -0
- package/dist/brillouin/index.d.ts +8 -0
- package/dist/brillouin/index.js +7 -0
- package/dist/brillouin/types.d.ts +43 -0
- package/dist/brillouin/types.js +1 -0
- package/dist/chempot-diagram/ChemPotDiagram.svelte +327 -0
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -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 +78 -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 +806 -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 +34 -0
- package/dist/chempot-diagram/types.d.ts +81 -0
- package/dist/chempot-diagram/types.js +28 -0
- package/dist/colors/index.d.ts +47 -0
- package/dist/colors/index.js +203 -0
- package/dist/composition/BarChart.svelte +297 -0
- package/dist/composition/BarChart.svelte.d.ts +39 -0
- package/dist/composition/BubbleChart.svelte +218 -0
- package/dist/composition/BubbleChart.svelte.d.ts +28 -0
- package/dist/composition/Composition.svelte +165 -0
- package/dist/composition/Composition.svelte.d.ts +15 -0
- package/dist/composition/Formula.svelte +268 -0
- package/dist/composition/Formula.svelte.d.ts +19 -0
- package/dist/composition/FormulaFilter.svelte +1257 -0
- package/dist/composition/FormulaFilter.svelte.d.ts +51 -0
- package/dist/composition/PieChart.svelte +323 -0
- package/dist/composition/PieChart.svelte.d.ts +37 -0
- package/dist/composition/format.d.ts +15 -0
- package/dist/composition/format.js +109 -0
- package/dist/composition/index.d.ts +20 -0
- package/dist/composition/index.js +14 -0
- package/dist/composition/parse.d.ts +56 -0
- package/dist/composition/parse.js +474 -0
- package/dist/constants.d.ts +29 -0
- package/dist/constants.js +99 -0
- package/dist/controls.d.ts +14 -0
- package/dist/controls.js +30 -0
- package/dist/convex-hull/ConvexHull.svelte +157 -0
- package/dist/convex-hull/ConvexHull.svelte.d.ts +13 -0
- package/dist/convex-hull/ConvexHull2D.svelte +825 -0
- package/dist/convex-hull/ConvexHull2D.svelte.d.ts +11 -0
- package/dist/convex-hull/ConvexHull3D.svelte +1801 -0
- package/dist/convex-hull/ConvexHull3D.svelte.d.ts +8 -0
- package/dist/convex-hull/ConvexHull4D.svelte +1398 -0
- package/dist/convex-hull/ConvexHull4D.svelte.d.ts +8 -0
- package/dist/convex-hull/ConvexHullControls.svelte +535 -0
- package/dist/convex-hull/ConvexHullControls.svelte.d.ts +48 -0
- package/dist/convex-hull/ConvexHullInfoPane.svelte +125 -0
- package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +20 -0
- package/dist/convex-hull/ConvexHullStats.svelte +929 -0
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +17 -0
- package/dist/convex-hull/ConvexHullTooltip.svelte +131 -0
- package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +33 -0
- package/dist/convex-hull/GasPressureControls.svelte +247 -0
- package/dist/convex-hull/GasPressureControls.svelte.d.ts +11 -0
- package/dist/convex-hull/StructurePopup.svelte +151 -0
- package/dist/convex-hull/StructurePopup.svelte.d.ts +18 -0
- package/dist/convex-hull/TemperatureSlider.svelte.d.ts +8 -0
- package/dist/convex-hull/barycentric-coords.d.ts +18 -0
- package/dist/convex-hull/barycentric-coords.js +182 -0
- 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.d.ts +16 -0
- package/dist/convex-hull/gas-thermodynamics.js +314 -0
- package/dist/convex-hull/helpers.d.ts +114 -0
- package/dist/convex-hull/helpers.js +710 -0
- package/dist/convex-hull/index.d.ts +119 -0
- package/dist/convex-hull/index.js +58 -0
- package/dist/convex-hull/thermodynamics.d.ts +67 -0
- package/dist/convex-hull/thermodynamics.js +1752 -0
- package/dist/convex-hull/types.d.ts +162 -0
- package/dist/convex-hull/types.js +36 -0
- package/dist/coordination/CoordinationBarPlot.svelte +311 -0
- package/dist/coordination/CoordinationBarPlot.svelte.d.ts +30 -0
- package/dist/coordination/calc-coordination.d.ts +15 -0
- package/dist/coordination/calc-coordination.js +63 -0
- package/dist/coordination/index.d.ts +8 -0
- package/dist/coordination/index.js +7 -0
- package/dist/effects.svelte.d.ts +12 -0
- package/dist/effects.svelte.js +37 -0
- package/dist/element/BohrAtom.svelte.d.ts +20 -0
- package/dist/element/ElementHeading.svelte +26 -0
- package/dist/element/ElementHeading.svelte.d.ts +8 -0
- package/dist/element/ElementPhoto.svelte +57 -0
- package/dist/element/ElementPhoto.svelte.d.ts +9 -0
- package/dist/element/ElementStats.svelte +80 -0
- package/dist/element/ElementStats.svelte.d.ts +8 -0
- package/dist/element/ElementTile.svelte +484 -0
- package/dist/element/ElementTile.svelte.d.ts +29 -0
- package/dist/element/Nucleus.svelte.d.ts +17 -0
- package/dist/element/data.d.ts +2 -0
- package/dist/element/data.js +2 -0
- package/dist/element/index.d.ts +8 -0
- package/dist/element/index.js +7 -0
- package/dist/element/types.d.ts +57 -0
- package/dist/element/types.js +1 -0
- package/dist/feedback/ClickFeedback.svelte +58 -0
- package/dist/feedback/ClickFeedback.svelte.d.ts +12 -0
- package/dist/feedback/DragOverlay.svelte +42 -0
- package/dist/feedback/DragOverlay.svelte.d.ts +7 -0
- package/dist/feedback/Spinner.svelte.d.ts +7 -0
- package/dist/feedback/StatusMessage.svelte.d.ts +9 -0
- package/dist/feedback/index.d.ts +4 -0
- package/dist/feedback/index.js +4 -0
- package/dist/fermi-surface/FermiSlice.svelte +189 -0
- package/dist/fermi-surface/FermiSlice.svelte.d.ts +24 -0
- package/dist/fermi-surface/FermiSurface.svelte +600 -0
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +83 -0
- package/dist/fermi-surface/FermiSurfaceControls.svelte +448 -0
- package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +35 -0
- package/dist/fermi-surface/FermiSurfaceScene.svelte +794 -0
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +50 -0
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte.d.ts +8 -0
- package/dist/fermi-surface/compute.d.ts +5 -0
- package/dist/fermi-surface/compute.js +538 -0
- package/dist/fermi-surface/constants.d.ts +9 -0
- package/dist/fermi-surface/constants.js +27 -0
- package/dist/fermi-surface/export.d.ts +5 -0
- package/dist/fermi-surface/export.js +50 -0
- package/dist/fermi-surface/index.d.ts +12 -0
- package/dist/fermi-surface/index.js +13 -0
- package/dist/fermi-surface/marching-cubes.d.ts +2 -0
- package/dist/fermi-surface/marching-cubes.js +2 -0
- package/dist/fermi-surface/parse.d.ts +2 -0
- package/dist/fermi-surface/parse.js +491 -0
- package/dist/fermi-surface/symmetry.d.ts +3 -0
- package/dist/fermi-surface/symmetry.js +46 -0
- package/dist/fermi-surface/types.d.ts +110 -0
- package/dist/fermi-surface/types.js +4 -0
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +1545 -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 +569 -0
- package/dist/icons.js +648 -0
- package/dist/index.d.ts +39 -0
- package/dist/index.js +39 -0
- package/dist/io/decompress.d.ts +11 -0
- package/dist/io/decompress.js +74 -0
- package/dist/io/export.d.ts +16 -0
- package/dist/io/export.js +316 -0
- package/dist/io/fetch.d.ts +5 -0
- package/dist/io/fetch.js +39 -0
- package/dist/io/file-drop.d.ts +7 -0
- package/dist/io/file-drop.js +43 -0
- package/dist/io/index.d.ts +7 -0
- package/dist/io/index.js +6 -0
- package/dist/io/is-binary.d.ts +1 -0
- package/dist/io/is-binary.js +20 -0
- package/dist/io/types.d.ts +8 -0
- package/dist/io/types.js +1 -0
- package/dist/io/url-drop.d.ts +2 -0
- package/dist/io/url-drop.js +123 -0
- package/dist/isosurface/Isosurface.svelte +285 -0
- package/dist/isosurface/Isosurface.svelte.d.ts +8 -0
- package/dist/isosurface/IsosurfaceControls.svelte +277 -0
- package/dist/isosurface/IsosurfaceControls.svelte.d.ts +9 -0
- package/dist/isosurface/index.d.ts +5 -0
- package/dist/isosurface/index.js +6 -0
- package/dist/isosurface/parse.d.ts +6 -0
- package/dist/isosurface/parse.js +553 -0
- package/dist/isosurface/slice.d.ts +11 -0
- package/dist/isosurface/slice.js +140 -0
- package/dist/isosurface/types.d.ts +56 -0
- package/dist/isosurface/types.js +227 -0
- package/dist/labels.d.ts +53 -0
- package/dist/labels.js +277 -0
- package/dist/layout/FullscreenToggle.svelte +50 -0
- package/dist/layout/FullscreenToggle.svelte.d.ts +7 -0
- package/dist/layout/InfoCard.svelte +120 -0
- package/dist/layout/InfoCard.svelte.d.ts +21 -0
- package/dist/layout/InfoTag.svelte +185 -0
- package/dist/layout/InfoTag.svelte.d.ts +19 -0
- package/dist/layout/PropertyFilter.svelte +246 -0
- package/dist/layout/PropertyFilter.svelte.d.ts +24 -0
- package/dist/layout/SettingsSection.svelte +148 -0
- package/dist/layout/SettingsSection.svelte.d.ts +17 -0
- package/dist/layout/SubpageGrid.svelte +82 -0
- package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
- package/dist/layout/fullscreen.d.ts +9 -0
- package/dist/layout/fullscreen.js +53 -0
- package/dist/layout/index.d.ts +10 -0
- package/dist/layout/index.js +8 -0
- package/dist/layout/json-tree/JsonNode.svelte +548 -0
- package/dist/layout/json-tree/JsonNode.svelte.d.ts +11 -0
- package/dist/layout/json-tree/JsonTree.svelte +1230 -0
- package/dist/layout/json-tree/JsonTree.svelte.d.ts +6 -0
- package/dist/layout/json-tree/JsonValue.svelte.d.ts +9 -0
- package/dist/layout/json-tree/index.d.ts +3 -0
- package/dist/layout/json-tree/index.js +3 -0
- package/dist/layout/json-tree/types.d.ts +74 -0
- package/dist/layout/json-tree/types.js +2 -0
- package/dist/layout/json-tree/utils.d.ts +29 -0
- package/dist/layout/json-tree/utils.js +641 -0
- package/dist/marching-cubes.d.ts +14 -0
- package/dist/marching-cubes.js +540 -0
- package/dist/math.d.ts +101 -0
- package/dist/math.js +905 -0
- package/dist/overlays/ContextMenu.svelte +162 -0
- package/dist/overlays/ContextMenu.svelte.d.ts +25 -0
- package/dist/overlays/CopyButton.svelte +45 -0
- package/dist/overlays/CopyButton.svelte.d.ts +8 -0
- package/dist/overlays/DragControlTab.svelte +98 -0
- package/dist/overlays/DragControlTab.svelte.d.ts +8 -0
- package/dist/overlays/DraggablePane.svelte +487 -0
- package/dist/overlays/DraggablePane.svelte.d.ts +36 -0
- package/dist/overlays/InfoPaneCards.svelte +149 -0
- package/dist/overlays/InfoPaneCards.svelte.d.ts +22 -0
- package/dist/overlays/index.d.ts +3 -0
- package/dist/overlays/index.js +3 -0
- package/dist/periodic-table/PeriodicTable.svelte +469 -0
- package/dist/periodic-table/PeriodicTable.svelte.d.ts +55 -0
- package/dist/periodic-table/PeriodicTableControls.svelte +557 -0
- package/dist/periodic-table/PeriodicTableControls.svelte.d.ts +24 -0
- package/dist/periodic-table/PropertySelect.svelte +37 -0
- package/dist/periodic-table/PropertySelect.svelte.d.ts +13 -0
- package/dist/periodic-table/TableInset.svelte.d.ts +9 -0
- package/dist/periodic-table/index.d.ts +10 -0
- package/dist/periodic-table/index.js +4 -0
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +44 -0
- package/dist/phase-diagram/PhaseDiagramControls.svelte +444 -0
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +30 -0
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +19 -0
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +16 -0
- package/dist/phase-diagram/TdbInfoPanel.svelte +203 -0
- package/dist/phase-diagram/TdbInfoPanel.svelte.d.ts +12 -0
- package/dist/phase-diagram/build-diagram.d.ts +11 -0
- package/dist/phase-diagram/build-diagram.js +160 -0
- package/dist/phase-diagram/colors.d.ts +35 -0
- package/dist/phase-diagram/colors.js +51 -0
- package/dist/phase-diagram/diagram-input.d.ts +29 -0
- package/dist/phase-diagram/diagram-input.js +3 -0
- package/dist/phase-diagram/index.d.ts +13 -0
- package/dist/phase-diagram/index.js +11 -0
- package/dist/phase-diagram/parse.d.ts +55 -0
- package/dist/phase-diagram/parse.js +272 -0
- package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
- package/dist/phase-diagram/svg-to-diagram.js +867 -0
- package/dist/phase-diagram/types.d.ts +93 -0
- package/dist/phase-diagram/types.js +1 -0
- package/dist/phase-diagram/utils.d.ts +118 -0
- package/dist/phase-diagram/utils.js +604 -0
- package/dist/plot/AxisLabel.svelte +51 -0
- package/dist/plot/AxisLabel.svelte.d.ts +16 -0
- package/dist/plot/BarPlot.svelte +2113 -0
- package/dist/plot/BarPlot.svelte.d.ts +84 -0
- package/dist/plot/BarPlotControls.svelte +66 -0
- package/dist/plot/BarPlotControls.svelte.d.ts +18 -0
- package/dist/plot/BinnedScatterPlot.svelte +1114 -0
- package/dist/plot/BinnedScatterPlot.svelte.d.ts +66 -0
- package/dist/plot/ColorBar.svelte +721 -0
- package/dist/plot/ColorBar.svelte.d.ts +31 -0
- package/dist/plot/ColorScaleSelect.svelte +54 -0
- package/dist/plot/ColorScaleSelect.svelte.d.ts +15 -0
- package/dist/plot/ElementScatter.svelte +63 -0
- package/dist/plot/ElementScatter.svelte.d.ts +14 -0
- package/dist/plot/FillArea.svelte.d.ts +21 -0
- package/dist/plot/Histogram.svelte +1558 -0
- package/dist/plot/Histogram.svelte.d.ts +50 -0
- package/dist/plot/HistogramControls.svelte +212 -0
- package/dist/plot/HistogramControls.svelte.d.ts +22 -0
- package/dist/plot/InteractiveAxisLabel.svelte +96 -0
- package/dist/plot/InteractiveAxisLabel.svelte.d.ts +14 -0
- package/dist/plot/Line.svelte +84 -0
- package/dist/plot/Line.svelte.d.ts +15 -0
- package/dist/plot/PlotAxis.svelte +169 -0
- package/dist/plot/PlotAxis.svelte.d.ts +24 -0
- package/dist/plot/PlotControls.svelte +537 -0
- package/dist/plot/PlotControls.svelte.d.ts +4 -0
- package/dist/plot/PlotLegend.svelte +569 -0
- package/dist/plot/PlotLegend.svelte.d.ts +29 -0
- package/dist/plot/PlotTooltip.svelte +67 -0
- package/dist/plot/PlotTooltip.svelte.d.ts +17 -0
- package/dist/plot/PortalSelect.svelte +253 -0
- package/dist/plot/PortalSelect.svelte.d.ts +16 -0
- package/dist/plot/ReferenceLine.svelte.d.ts +20 -0
- package/dist/plot/ReferenceLine3D.svelte +156 -0
- package/dist/plot/ReferenceLine3D.svelte.d.ts +14 -0
- package/dist/plot/ReferencePlane.svelte +175 -0
- package/dist/plot/ReferencePlane.svelte.d.ts +14 -0
- package/dist/plot/ScatterPlot.svelte +2778 -0
- package/dist/plot/ScatterPlot.svelte.d.ts +96 -0
- package/dist/plot/ScatterPlot3D.svelte +529 -0
- package/dist/plot/ScatterPlot3D.svelte.d.ts +95 -0
- package/dist/plot/ScatterPlot3DControls.svelte +437 -0
- package/dist/plot/ScatterPlot3DControls.svelte.d.ts +20 -0
- package/dist/plot/ScatterPlot3DScene.svelte +912 -0
- package/dist/plot/ScatterPlot3DScene.svelte.d.ts +74 -0
- package/dist/plot/ScatterPlotControls.svelte +306 -0
- package/dist/plot/ScatterPlotControls.svelte.d.ts +17 -0
- package/dist/plot/ScatterPoint.svelte +182 -0
- package/dist/plot/ScatterPoint.svelte.d.ts +22 -0
- package/dist/plot/SpacegroupBarPlot.svelte +293 -0
- package/dist/plot/SpacegroupBarPlot.svelte.d.ts +9 -0
- package/dist/plot/Surface3D.svelte +197 -0
- package/dist/plot/Surface3D.svelte.d.ts +13 -0
- package/dist/plot/ZeroLines.svelte +97 -0
- package/dist/plot/ZeroLines.svelte.d.ts +33 -0
- package/dist/plot/ZoomRect.svelte +23 -0
- package/dist/plot/ZoomRect.svelte.d.ts +8 -0
- package/dist/plot/adaptive-density.d.ts +69 -0
- package/dist/plot/adaptive-density.js +191 -0
- package/dist/plot/auto-place.d.ts +43 -0
- package/dist/plot/auto-place.js +122 -0
- package/dist/plot/axis-utils.d.ts +19 -0
- package/dist/plot/axis-utils.js +78 -0
- package/dist/plot/binned-scatter-types.d.ts +59 -0
- package/dist/plot/binned-scatter-types.js +1 -0
- package/dist/plot/data-cleaning.d.ts +37 -0
- package/dist/plot/data-cleaning.js +855 -0
- package/dist/plot/data-transform.d.ts +16 -0
- package/dist/plot/data-transform.js +45 -0
- package/dist/plot/defaults.d.ts +19 -0
- package/dist/plot/defaults.js +9 -0
- package/dist/plot/fill-utils.d.ts +46 -0
- package/dist/plot/fill-utils.js +322 -0
- package/dist/plot/hover-lock.svelte.d.ts +14 -0
- package/dist/plot/hover-lock.svelte.js +46 -0
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- package/dist/src/lib/rdf/RdfPlot.svelte +0 -247
- package/dist/src/lib/rdf/calc-rdf.ts +0 -167
- package/dist/src/lib/rdf/index.ts +0 -27
- package/dist/src/lib/sanitize.ts +0 -126
- package/dist/src/lib/settings.ts +0 -1479
- package/dist/src/lib/spectral/Bands.svelte +0 -1040
- package/dist/src/lib/spectral/BandsAndDos.svelte +0 -134
- package/dist/src/lib/spectral/BrillouinBandsDos.svelte +0 -252
- package/dist/src/lib/spectral/Dos.svelte +0 -697
- package/dist/src/lib/spectral/helpers.ts +0 -1381
- package/dist/src/lib/spectral/index.ts +0 -8
- package/dist/src/lib/spectral/types.ts +0 -112
- package/dist/src/lib/state.svelte.ts +0 -64
- package/dist/src/lib/structure/Arrow.svelte +0 -72
- package/dist/src/lib/structure/AtomLegend.svelte +0 -815
- package/dist/src/lib/structure/Bond.svelte +0 -140
- package/dist/src/lib/structure/CanvasTooltip.svelte +0 -33
- package/dist/src/lib/structure/CellSelect.svelte +0 -349
- package/dist/src/lib/structure/Cylinder.svelte +0 -45
- package/dist/src/lib/structure/Lattice.svelte +0 -196
- package/dist/src/lib/structure/Structure.svelte +0 -2248
- package/dist/src/lib/structure/StructureControls.svelte +0 -1273
- package/dist/src/lib/structure/StructureExportPane.svelte +0 -252
- package/dist/src/lib/structure/StructureInfoPane.svelte +0 -737
- package/dist/src/lib/structure/StructureScene.svelte +0 -2255
- package/dist/src/lib/structure/atom-properties.ts +0 -316
- package/dist/src/lib/structure/bond-order-perception.ts +0 -447
- package/dist/src/lib/structure/bonding.ts +0 -944
- package/dist/src/lib/structure/export.ts +0 -861
- package/dist/src/lib/structure/index.ts +0 -291
- package/dist/src/lib/structure/label-placement.ts +0 -130
- package/dist/src/lib/structure/measure.ts +0 -45
- package/dist/src/lib/structure/parse.ts +0 -1705
- package/dist/src/lib/structure/partial-occupancy.ts +0 -183
- package/dist/src/lib/structure/pbc.ts +0 -164
- package/dist/src/lib/structure/supercell.ts +0 -226
- package/dist/src/lib/structure/validation.ts +0 -11
- package/dist/src/lib/symmetry/SymmetryStats.svelte +0 -226
- package/dist/src/lib/symmetry/WyckoffTable.svelte +0 -120
- package/dist/src/lib/symmetry/cell-transform.ts +0 -118
- package/dist/src/lib/symmetry/index.ts +0 -348
- package/dist/src/lib/symmetry/spacegroups.ts +0 -404
- package/dist/src/lib/table/HeatmapTable.svelte +0 -1833
- package/dist/src/lib/table/ToggleMenu.svelte +0 -385
- package/dist/src/lib/table/index.ts +0 -139
- package/dist/src/lib/theme/ThemeControl.svelte +0 -53
- package/dist/src/lib/theme/index.ts +0 -107
- package/dist/src/lib/time.ts +0 -71
- package/dist/src/lib/tooltip/TooltipContent.svelte +0 -58
- package/dist/src/lib/tooltip/index.ts +0 -2
- package/dist/src/lib/tooltip/types.ts +0 -13
- package/dist/src/lib/trajectory/Trajectory.svelte +0 -1545
- package/dist/src/lib/trajectory/TrajectoryError.svelte +0 -128
- package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +0 -357
- package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +0 -313
- package/dist/src/lib/trajectory/constants.ts +0 -7
- package/dist/src/lib/trajectory/extract.ts +0 -196
- package/dist/src/lib/trajectory/format-detect.ts +0 -96
- package/dist/src/lib/trajectory/frame-reader.ts +0 -456
- package/dist/src/lib/trajectory/helpers.ts +0 -217
- package/dist/src/lib/trajectory/index.ts +0 -218
- package/dist/src/lib/trajectory/parse/ase.ts +0 -109
- package/dist/src/lib/trajectory/parse/hdf5.ts +0 -173
- package/dist/src/lib/trajectory/parse/index.ts +0 -411
- package/dist/src/lib/trajectory/parse/lammps.ts +0 -215
- package/dist/src/lib/trajectory/parse/vasp.ts +0 -102
- package/dist/src/lib/trajectory/parse/xyz.ts +0 -143
- package/dist/src/lib/trajectory/plotting.ts +0 -599
- package/dist/src/lib/trajectory/types.ts +0 -13
- package/dist/src/lib/utils.ts +0 -56
- package/dist/src/lib/xrd/XrdPlot.svelte +0 -615
- package/dist/src/lib/xrd/broadening.ts +0 -130
- package/dist/src/lib/xrd/calc-xrd.ts +0 -397
- package/dist/src/lib/xrd/index.ts +0 -38
- package/dist/src/lib/xrd/parse.ts +0 -858
- package/dist/webview.js +0 -29421
- package/icon.png +0 -0
- package/matterviz-0.3.2.vsix +0 -0
- package/matterviz-0.3.4.vsix +0 -0
- package/matterviz-0.3.5.vsix +0 -0
- package/scripts/sync-config.ts +0 -101
- package/src/declarations.d.ts +0 -2
- package/src/extension.ts +0 -972
- package/src/node-io.ts +0 -65
- package/src/types.ts +0 -17
- package/src/webview/JsonBrowser.svelte +0 -1079
- package/src/webview/PlotPanel.svelte +0 -346
- package/src/webview/detect.ts +0 -444
- package/src/webview/main.ts +0 -764
- package/src/webview/plot-utils.ts +0 -250
- package/test-fixtures/all-viz-types.json.gz +0 -0
- package/test-fixtures/plot-demo-data.json.gz +0 -0
- package/tests/detect.test.ts +0 -604
- package/tests/extension.test.ts +0 -2041
- package/tests/node-io.test.ts +0 -39
- package/tests/plot-utils.test.ts +0 -302
- package/tests/vite-plugin-json-gz.test.ts +0 -114
- package/tests/vscode-mock.ts +0 -18
- package/tests/webview.test.ts +0 -231
- package/tsconfig.json +0 -20
- package/vite-plugin-json-gz.ts +0 -29
- package/vite.config.ts +0 -34
- package/vite.extension.config.ts +0 -34
- /package/dist/{src/lib/EmptyState.svelte → EmptyState.svelte} +0 -0
- /package/dist/{src/lib/Icon.svelte → Icon.svelte} +0 -0
- /package/dist/{src/lib/app.css → app.css} +0 -0
- /package/dist/{src/lib/chempot-diagram → chempot-diagram}/ChemPotScene3D.svelte +0 -0
- /package/dist/{src/lib/colors → colors}/alloy-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/dark-mode-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/jmol-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/muted-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/pastel-colors.json +0 -0
- /package/dist/{src/lib/colors → colors}/vesta-colors.json +0 -0
- /package/dist/{src/lib/convex-hull → convex-hull}/TemperatureSlider.svelte +0 -0
- /package/dist/{src/lib/element → element}/BohrAtom.svelte +0 -0
- /package/dist/{src/lib/element → element}/Nucleus.svelte +0 -0
- /package/dist/{src/lib/element → element}/data.json +0 -0
- /package/dist/{src/lib/element → element}/data.json.gz +0 -0
- /package/dist/{src/lib/element → element}/data.json.gz.d.ts +0 -0
- /package/dist/{src/lib/element → element}/data.schema.json +0 -0
- /package/dist/{src/lib/element-image-urls.json → element-image-urls.json} +0 -0
- /package/dist/{src/lib/feedback → feedback}/Spinner.svelte +0 -0
- /package/dist/{src/lib/feedback → feedback}/StatusMessage.svelte +0 -0
- /package/dist/{src/lib/layout → layout}/json-tree/JsonValue.svelte +0 -0
- /package/dist/{src/lib/periodic-table → periodic-table}/TableInset.svelte +0 -0
- /package/dist/{src/lib/plot → plot}/FillArea.svelte +0 -0
- /package/dist/{src/lib/plot → plot}/ReferenceLine.svelte +0 -0
- /package/dist/{src/lib/theme → theme}/themes.mjs +0 -0
- /package/dist/{src/lib/xrd → xrd}/atomic_scattering_params.json +0 -0
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import type { HTMLAttributes } from 'svelte/elements';
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import type { ConvexHullEntry, PhaseStats } from './types';
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type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
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phase_stats: PhaseStats | null;
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stable_entries: ConvexHullEntry[];
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unstable_entries: ConvexHullEntry[];
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show_stable?: boolean;
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show_unstable?: boolean;
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layout?: `toggle` | `side-by-side`;
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on_entry_click?: (entry: ConvexHullEntry) => void;
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highlighted_entry_id?: string;
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min_n_elements?: number;
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entry_href?: (entry: ConvexHullEntry) => string | null;
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};
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declare const ConvexHullStats: import("svelte").Component<$$ComponentProps, {}, "min_n_elements">;
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type ConvexHullStats = ReturnType<typeof ConvexHullStats>;
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export default ConvexHullStats;
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<script lang="ts" generics="EntryT extends PhaseData = PhaseData">
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// Unified tooltip component for convex hull diagrams
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import { ELEM_SYMBOL_TO_NAME, get_electro_neg_formula } from '../composition'
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import type { ElementSymbol } from '../element'
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import { format_num } from '../labels'
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import { sanitize_html } from '../sanitize'
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import { TooltipContent } from '../tooltip'
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import type { PolymorphStats } from './helpers'
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import type { ConvexHullTooltipProp, TooltipSnippetProps } from './index'
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import type { HighlightStyle, PhaseData } from './types'
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import { is_unary_entry } from './helpers'
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let {
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entry,
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polymorph_stats_map,
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highlight_style,
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tooltip,
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show_fractional = true,
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}: {
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entry: EntryT
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polymorph_stats_map?: Map<string, PolymorphStats>
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highlight_style?: HighlightStyle
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tooltip?: ConvexHullTooltipProp<EntryT>
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show_fractional?: boolean
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} = $props()
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const is_element = $derived(is_unary_entry(entry))
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const elem_symbol = $derived(
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is_element
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? (Object.entries(entry.composition).find(([, n]) => n > 0)?.[0] ?? ``)
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: ``,
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) as ElementSymbol | ``
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const elem_name = $derived(elem_symbol && ELEM_SYMBOL_TO_NAME[elem_symbol])
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const polymorph_stats = $derived(
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entry.entry_id && polymorph_stats_map
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? polymorph_stats_map.get(entry.entry_id)
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: null,
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)
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</script>
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<TooltipContent
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data={entry}
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snippet_arg={{ entry, highlight_style } as TooltipSnippetProps<EntryT>}
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{tooltip}
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>
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<div class="tooltip-content" style:--highlight-color={highlight_style?.color}>
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{#if highlight_style}
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<span class="highlight-badge">★ Highlighted</span>
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{/if}
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<div class="tooltip-title">
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{#if entry.entry_id}
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<strong style="display: block">
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{entry.entry_id}{is_element && elem_name ? ` (${elem_name})` : ``}
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</strong>
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{/if}
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{#if !is_element || !entry.entry_id}
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<strong style="display: block">
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{@html sanitize_html(get_electro_neg_formula(entry.composition))}
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</strong>
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{/if}
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</div>
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{#if entry.e_above_hull != null}
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<div>
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E<sub>above hull</sub>: {format_num(entry.e_above_hull, `.3~`)} eV/atom
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</div>
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{/if}
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{#if entry.e_form_per_atom != null}
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<div>E<sub>form</sub>: {format_num(entry.e_form_per_atom, `.3~`)} eV/atom</div>
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{/if}
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{#if show_fractional && !is_element}
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{@const total = Object.values(entry.composition).reduce(
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(sum, amt) => sum + amt,
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0,
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)}
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{#if total > 0}
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{@const fractions = Object.entries(entry.composition)
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.filter(([, amt]) => amt > 0)
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.map(([el, amt]) => `${el}<sub>${format_num(amt / total, `.2~`)}</sub>`)}
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{#if fractions.length > 1}
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<div>Fractional: {@html sanitize_html(fractions.join(` `))}</div>
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{/if}
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{/if}
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{/if}
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{#if polymorph_stats}
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{@const { total, higher, lower, equal } = polymorph_stats}
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<div
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class="polymorphs"
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title="Total structures with same fractional composition. ↑ = higher energy (less stable), ↓ = lower energy (more stable), = equal energy"
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>
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Polymorphs:
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{total}
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{#if total > 0}
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<span title="{higher} higher in energy">↑{higher}</span>
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<span title="{lower} lower in energy">↓{lower}</span>
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{#if equal > 0}
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<span title="{equal} equal in energy">={equal}</span>
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{/if}
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{/if}
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</div>
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{/if}
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</div>
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</TooltipContent>
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<style>
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.tooltip-content {
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max-width: var(--tooltip-max-width, 200px);
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text-align: left;
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}
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.tooltip-content > div {
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overflow: hidden;
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text-overflow: ellipsis;
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white-space: nowrap;
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}
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.highlight-badge {
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display: block;
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font-size: 0.75em;
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font-weight: 600;
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color: var(--highlight-color, #ff2222);
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margin-bottom: 4px;
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}
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.tooltip-title {
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margin-bottom: 2px;
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}
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.polymorphs span {
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margin-left: 3px;
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}
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</style>
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import type { PolymorphStats } from './helpers';
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import type { ConvexHullTooltipProp } from './index';
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import type { HighlightStyle, PhaseData } from './types';
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declare function $$render<EntryT extends PhaseData = PhaseData>(): {
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props: {
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entry: EntryT;
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polymorph_stats_map?: Map<string, PolymorphStats>;
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highlight_style?: HighlightStyle;
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tooltip?: ConvexHullTooltipProp<EntryT>;
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show_fractional?: boolean;
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};
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exports: {};
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bindings: "";
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slots: {};
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events: {};
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};
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declare class __sveltets_Render<EntryT extends PhaseData = PhaseData> {
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props(): ReturnType<typeof $$render<EntryT>>['props'];
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events(): ReturnType<typeof $$render<EntryT>>['events'];
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slots(): ReturnType<typeof $$render<EntryT>>['slots'];
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bindings(): "";
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exports(): {};
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}
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interface $$IsomorphicComponent {
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new <EntryT extends PhaseData = PhaseData>(options: import('svelte').ComponentConstructorOptions<ReturnType<__sveltets_Render<EntryT>['props']>>): import('svelte').SvelteComponent<ReturnType<__sveltets_Render<EntryT>['props']>, ReturnType<__sveltets_Render<EntryT>['events']>, ReturnType<__sveltets_Render<EntryT>['slots']>> & {
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$$bindings?: ReturnType<__sveltets_Render<EntryT>['bindings']>;
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} & ReturnType<__sveltets_Render<EntryT>['exports']>;
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<EntryT extends PhaseData = PhaseData>(internal: unknown, props: ReturnType<__sveltets_Render<EntryT>['props']> & {}): ReturnType<__sveltets_Render<EntryT>['exports']>;
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z_$$bindings?: ReturnType<__sveltets_Render<any>['bindings']>;
|
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}
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declare const ConvexHullTooltip: $$IsomorphicComponent;
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|
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type ConvexHullTooltip<EntryT extends PhaseData = PhaseData> = InstanceType<typeof ConvexHullTooltip<EntryT>>;
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export default ConvexHullTooltip;
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<script lang="ts">
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import type {
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GasControlPosition,
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4
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GasSpecies,
|
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5
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GasThermodynamicsConfig,
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} from './types'
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import { sanitize_html } from '../sanitize'
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import { tooltip } from 'svelte-multiselect/attachments'
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import type { HTMLAttributes } from 'svelte/elements'
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10
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import {
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11
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compute_gas_chemical_potential,
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format_chemical_potential,
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get_default_gas_provider,
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get_effective_pressures,
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} from './gas-thermodynamics'
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let {
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config,
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pressures = $bindable({}),
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temperature,
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position = `top-right`,
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...rest
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}: HTMLAttributes<HTMLDivElement> & {
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config: GasThermodynamicsConfig
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pressures: Partial<Record<GasSpecies, number>>
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temperature: number
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position?: GasControlPosition
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} = $props()
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+
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// Log scale range for pressure slider: 10^-10 to 10^2 bar
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const LOG_P_MIN = -10
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const LOG_P_MAX = 2
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const LOG_P_RANGE = LOG_P_MAX - LOG_P_MIN
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const MIN_PRESSURE = 1e-15 // Safe minimum to avoid log(0) or NaN
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const THROTTLE_MS = 100
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+
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// Local preview state for smooth slider interaction without causing full hull re-renders
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let preview_pressures = $state<Partial<Record<GasSpecies, number>>>({})
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let last_update_time = 0
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// Get provider for chemical potential calculations
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const provider = $derived(config.provider ?? get_default_gas_provider())
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// Get enabled gases from config
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const enabled_gases = $derived(config.enabled_gases ?? [])
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// Effective pressures including defaults
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const effective_pressures = $derived(get_effective_pressures(config))
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+
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// Get current pressure for a gas (preview during drag, committed, or default)
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function get_pressure(gas: GasSpecies): number {
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const P = preview_pressures[gas] ?? pressures[gas] ?? effective_pressures[gas]
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return Number.isFinite(P) && P > 0 ? P : MIN_PRESSURE
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}
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+
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// Compute chemical potential μ(T,P) for a gas at current temperature and pressure
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const get_mu = (gas: GasSpecies): number =>
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compute_gas_chemical_potential(provider, gas, temperature, get_pressure(gas))
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+
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// Convert pressure to log scale slider position (0-100)
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const pressure_to_slider = (P: number): number =>
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((Math.max(LOG_P_MIN, Math.min(LOG_P_MAX, Math.log10(P))) - LOG_P_MIN) /
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LOG_P_RANGE) * 100
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// Convert slider position (0-100) to pressure
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const slider_to_pressure = (value: number): number =>
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Math.pow(10, LOG_P_MIN + (value / 100) * LOG_P_RANGE)
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+
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// Format gas name for display (subscript numbers)
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const format_gas_name = (gas: GasSpecies): string =>
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gas.replaceAll(/(\d+)/g, `<sub>$1</sub>`)
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+
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// Format pressure as plain text (no HTML) for the number input
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function format_pressure(P: number): string {
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const log_P = Math.log10(P)
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const exp = Math.round(log_P)
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if (Math.abs(log_P - exp) < 0.1) return `1e${exp}`
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if (P >= 0.01 && P < 100) return P.toPrecision(2)
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return P.toExponential(1)
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}
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81
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+
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82
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function set_pressure(gas: GasSpecies, value: number): void {
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const P = slider_to_pressure(value)
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preview_pressures = { ...preview_pressures, [gas]: P }
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85
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// Throttle parent updates during drag to prevent hull recomputation on every pixel
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86
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const now = Date.now()
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if (now - last_update_time >= THROTTLE_MS) {
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last_update_time = now
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pressures = { ...pressures, [gas]: P }
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}
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}
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92
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+
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93
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function handle_slider_end(
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gas: GasSpecies,
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event: Event & { currentTarget: HTMLInputElement },
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96
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): void {
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97
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const P = slider_to_pressure(+event.currentTarget.value)
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pressures = { ...pressures, [gas]: P }
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// Clear only this gas's preview (don't reset other sliders being dragged simultaneously)
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100
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const { [gas]: _removed_preview, ...remaining_previews } = preview_pressures
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preview_pressures = remaining_previews
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}
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103
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+
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104
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function set_pressure_direct(gas: GasSpecies, value: number): void {
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105
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const clamped = Math.max(
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Math.pow(10, LOG_P_MIN),
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Math.min(Math.pow(10, LOG_P_MAX), value),
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108
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)
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pressures = { ...pressures, [gas]: clamped }
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110
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}
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111
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</script>
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112
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+
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113
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{#if enabled_gases.length > 0}
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114
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<div {...rest} class="pressure-controls {position} {rest.class ?? ``}">
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115
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{#each enabled_gases as gas (gas)}
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{@const P = get_pressure(gas)}
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{@const mu = get_mu(gas)}
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118
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{@const tooltip_content = `${gas} partial pressure for μ(T,P)\nμ = ${format_chemical_potential(mu, 3)}`}
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119
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<div
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class="pressure-slider"
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{@attach tooltip({ content: tooltip_content })}
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>
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<label class="pressure-label">
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<input
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type="text"
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class="pressure-input"
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127
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value={format_pressure(P)}
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onchange={(evt) => {
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129
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const val = Number(evt.currentTarget.value)
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130
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if (Number.isFinite(val) && val > 0) set_pressure_direct(gas, val)
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else evt.currentTarget.value = format_pressure(P)
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132
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}}
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133
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aria-label="{gas} pressure (bar)"
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/>
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135
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<span class="gas-name">{@html sanitize_html(format_gas_name(gas))}</span>
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136
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</label>
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137
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<div class="slider-wrapper">
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138
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<span class="pressure-range">
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139
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10<sup>{LOG_P_MIN}</sup>–10<sup>{LOG_P_MAX}</sup>
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140
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</span>
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141
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<input
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142
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type="range"
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143
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min="0"
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max="100"
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145
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step="0.5"
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146
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value={pressure_to_slider(P)}
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oninput={(evt) => set_pressure(gas, +evt.currentTarget.value)}
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148
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onchange={(evt) => handle_slider_end(gas, evt)}
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onmouseup={(evt) => handle_slider_end(gas, evt)}
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150
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ontouchend={(evt) => handle_slider_end(gas, evt)}
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151
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aria-label="{gas} partial pressure"
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152
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/>
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|
153
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</div>
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|
154
|
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<span class="sr-only" aria-live="polite">
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|
155
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+
{gas} chemical potential: {format_chemical_potential(mu, 2)}
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|
156
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+
</span>
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|
157
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+
</div>
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158
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+
{/each}
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159
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+
</div>
|
|
160
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+
{/if}
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|
161
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+
|
|
162
|
+
<style>
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|
163
|
+
.pressure-controls {
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164
|
+
position: absolute;
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|
165
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+
display: flex;
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166
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+
flex-wrap: wrap;
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167
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+
gap: 8px;
|
|
168
|
+
}
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169
|
+
.sr-only {
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|
170
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+
position: absolute;
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171
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+
width: 1px;
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172
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+
height: 1px;
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|
173
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+
padding: 0;
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174
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+
margin: -1px;
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175
|
+
overflow: hidden;
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176
|
+
clip: rect(0, 0, 0, 0);
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|
177
|
+
white-space: nowrap;
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178
|
+
border: 0;
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|
179
|
+
}
|
|
180
|
+
.pressure-controls.top-left {
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|
181
|
+
top: calc(1ex + 50px);
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|
182
|
+
left: calc(1ex + 10px);
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|
183
|
+
}
|
|
184
|
+
.pressure-controls.top-right {
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|
185
|
+
top: calc(1ex + 50px);
|
|
186
|
+
right: calc(1ex + 75px);
|
|
187
|
+
}
|
|
188
|
+
.pressure-controls.bottom-left {
|
|
189
|
+
bottom: calc(1ex + 50px);
|
|
190
|
+
left: calc(1ex + 10px);
|
|
191
|
+
}
|
|
192
|
+
.pressure-controls.bottom-right {
|
|
193
|
+
bottom: calc(1ex + 50px);
|
|
194
|
+
right: calc(1ex + 75px);
|
|
195
|
+
}
|
|
196
|
+
.pressure-slider {
|
|
197
|
+
display: flex;
|
|
198
|
+
flex-direction: column;
|
|
199
|
+
align-items: var(--pressure-slider-align, center);
|
|
200
|
+
gap: 4px;
|
|
201
|
+
background: color-mix(in srgb, var(--hull-bg, transparent) 80%, transparent);
|
|
202
|
+
padding: 3px 5px;
|
|
203
|
+
border-radius: var(--border-radius, 6pt);
|
|
204
|
+
backdrop-filter: blur(2px);
|
|
205
|
+
}
|
|
206
|
+
.slider-wrapper {
|
|
207
|
+
display: flex;
|
|
208
|
+
place-items: center;
|
|
209
|
+
justify-content: var(--slider-justify, center);
|
|
210
|
+
line-height: 1;
|
|
211
|
+
}
|
|
212
|
+
.pressure-slider input[type='range'] {
|
|
213
|
+
writing-mode: vertical-lr;
|
|
214
|
+
direction: rtl;
|
|
215
|
+
}
|
|
216
|
+
.pressure-label {
|
|
217
|
+
display: flex;
|
|
218
|
+
align-items: center;
|
|
219
|
+
gap: 2px;
|
|
220
|
+
}
|
|
221
|
+
.pressure-input {
|
|
222
|
+
width: 5.5ch;
|
|
223
|
+
border: 1px solid color-mix(in srgb, currentColor 5%, transparent);
|
|
224
|
+
border-radius: 3px;
|
|
225
|
+
background: transparent;
|
|
226
|
+
text-align: center;
|
|
227
|
+
}
|
|
228
|
+
.pressure-input::-webkit-outer-spin-button,
|
|
229
|
+
.pressure-input::-webkit-inner-spin-button {
|
|
230
|
+
-webkit-appearance: none;
|
|
231
|
+
margin: 0;
|
|
232
|
+
}
|
|
233
|
+
.gas-name {
|
|
234
|
+
font-size: 0.9em;
|
|
235
|
+
}
|
|
236
|
+
.gas-name :global(sub) {
|
|
237
|
+
font-size: 0.7em;
|
|
238
|
+
vertical-align: sub;
|
|
239
|
+
}
|
|
240
|
+
.pressure-range {
|
|
241
|
+
font-size: 0.7em;
|
|
242
|
+
opacity: 0.7;
|
|
243
|
+
white-space: nowrap;
|
|
244
|
+
writing-mode: vertical-rl;
|
|
245
|
+
transform: rotate(180deg);
|
|
246
|
+
}
|
|
247
|
+
</style>
|
|
@@ -0,0 +1,11 @@
|
|
|
1
|
+
import type { GasControlPosition, GasSpecies, GasThermodynamicsConfig } from './types';
|
|
2
|
+
import type { HTMLAttributes } from 'svelte/elements';
|
|
3
|
+
type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
|
|
4
|
+
config: GasThermodynamicsConfig;
|
|
5
|
+
pressures: Partial<Record<GasSpecies, number>>;
|
|
6
|
+
temperature: number;
|
|
7
|
+
position?: GasControlPosition;
|
|
8
|
+
};
|
|
9
|
+
declare const GasPressureControls: import("svelte").Component<$$ComponentProps, {}, "pressures">;
|
|
10
|
+
type GasPressureControls = ReturnType<typeof GasPressureControls>;
|
|
11
|
+
export default GasPressureControls;
|
|
@@ -0,0 +1,151 @@
|
|
|
1
|
+
<script lang="ts">
|
|
2
|
+
import type { AnyStructure } from '../structure'
|
|
3
|
+
import { get_electro_neg_formula } from '../composition'
|
|
4
|
+
import Icon from '../Icon.svelte'
|
|
5
|
+
import { format_num } from '../labels'
|
|
6
|
+
import { DragControlTab } from '../overlays'
|
|
7
|
+
import { sanitize_formula } from '../sanitize'
|
|
8
|
+
import { Structure } from '../structure'
|
|
9
|
+
import type { StructurePopupContext, StructurePopupStats } from './types'
|
|
10
|
+
import type { Snippet } from 'svelte'
|
|
11
|
+
import type { HTMLAttributes } from 'svelte/elements'
|
|
12
|
+
import { draggable } from 'svelte-multiselect/attachments'
|
|
13
|
+
|
|
14
|
+
let {
|
|
15
|
+
structure,
|
|
16
|
+
place_right = true,
|
|
17
|
+
width = 500,
|
|
18
|
+
height = 400,
|
|
19
|
+
onclose,
|
|
20
|
+
stats,
|
|
21
|
+
top_left,
|
|
22
|
+
children,
|
|
23
|
+
popup_div = $bindable(),
|
|
24
|
+
...rest
|
|
25
|
+
}: Omit<HTMLAttributes<HTMLDivElement>, 'children'> & {
|
|
26
|
+
structure: AnyStructure
|
|
27
|
+
place_right?: boolean
|
|
28
|
+
width?: number
|
|
29
|
+
height?: number
|
|
30
|
+
onclose?: () => void
|
|
31
|
+
stats?: StructurePopupStats
|
|
32
|
+
top_left?: Snippet<[StructurePopupContext]>
|
|
33
|
+
children?: Snippet<[StructurePopupContext]>
|
|
34
|
+
popup_div?: HTMLDivElement
|
|
35
|
+
} = $props()
|
|
36
|
+
|
|
37
|
+
const formula_html = $derived.by(() =>
|
|
38
|
+
sanitize_formula(get_electro_neg_formula(stats?.formula ?? structure, true)))
|
|
39
|
+
const context = $derived({ structure, stats, formula_html })
|
|
40
|
+
</script>
|
|
41
|
+
|
|
42
|
+
{#snippet close_button()}
|
|
43
|
+
<button class="close-btn" onclick={() => onclose?.()} title="Close (Esc)">
|
|
44
|
+
<Icon icon="Cross" />
|
|
45
|
+
</button>
|
|
46
|
+
{/snippet}
|
|
47
|
+
|
|
48
|
+
<svelte:window
|
|
49
|
+
onkeydown={(event) => event.key === `Escape` && onclose?.()}
|
|
50
|
+
onmousedown={(event) => {
|
|
51
|
+
if (!popup_div || !(event.target instanceof Node)) return
|
|
52
|
+
if (!popup_div.contains(event.target)) onclose?.()
|
|
53
|
+
}}
|
|
54
|
+
/>
|
|
55
|
+
|
|
56
|
+
<div
|
|
57
|
+
{@attach draggable({
|
|
58
|
+
handle_selector: `.drag-handle`,
|
|
59
|
+
})}
|
|
60
|
+
{...rest}
|
|
61
|
+
class="structure-popup {place_right ? `right` : `left`} {rest.class ?? ``}"
|
|
62
|
+
role="dialog"
|
|
63
|
+
aria-modal="true"
|
|
64
|
+
tabindex="-1"
|
|
65
|
+
bind:this={popup_div}
|
|
66
|
+
>
|
|
67
|
+
<DragControlTab />
|
|
68
|
+
<div class="structure-popup-content">
|
|
69
|
+
{#if top_left || stats}
|
|
70
|
+
<div class="structure-stats">
|
|
71
|
+
{#if top_left}
|
|
72
|
+
{@render top_left(context)}
|
|
73
|
+
{:else if stats}
|
|
74
|
+
{#if stats.id}
|
|
75
|
+
ID = {stats.id}<br>
|
|
76
|
+
{/if}
|
|
77
|
+
{#if formula_html}
|
|
78
|
+
{@html formula_html}<br>
|
|
79
|
+
{/if}
|
|
80
|
+
{#if stats.e_above_hull != null}
|
|
81
|
+
E<sub>above hull</sub> = {format_num(stats.e_above_hull, `.3~`)} eV/atom<br>
|
|
82
|
+
{/if}
|
|
83
|
+
{#if stats.e_form != null}
|
|
84
|
+
E<sub>form</sub> = {format_num(stats.e_form, `.3~`)}
|
|
85
|
+
eV/atom
|
|
86
|
+
{/if}
|
|
87
|
+
{/if}
|
|
88
|
+
</div>
|
|
89
|
+
{/if}
|
|
90
|
+
|
|
91
|
+
<Structure
|
|
92
|
+
{structure}
|
|
93
|
+
{width}
|
|
94
|
+
{height}
|
|
95
|
+
top_right_controls={close_button}
|
|
96
|
+
show_controls="hover"
|
|
97
|
+
style="--struct-width: {width}px; --struct-height: {height}px; --struct-min-width: 0"
|
|
98
|
+
/>
|
|
99
|
+
{@render children?.(context)}
|
|
100
|
+
</div>
|
|
101
|
+
</div>
|
|
102
|
+
|
|
103
|
+
<style>
|
|
104
|
+
.structure-popup {
|
|
105
|
+
position: absolute;
|
|
106
|
+
box-sizing: border-box;
|
|
107
|
+
width: max-content;
|
|
108
|
+
z-index: 10000;
|
|
109
|
+
overflow: visible;
|
|
110
|
+
top: 50%;
|
|
111
|
+
transform: translateY(-50%);
|
|
112
|
+
}
|
|
113
|
+
.structure-popup-content {
|
|
114
|
+
display: flex;
|
|
115
|
+
gap: 8px;
|
|
116
|
+
background: var(--surface-bg);
|
|
117
|
+
border: 1px solid var(--border-color);
|
|
118
|
+
border-radius: 8px;
|
|
119
|
+
box-shadow: 0 20px 25px -5px rgba(0, 0, 0, 0.15);
|
|
120
|
+
overflow: hidden;
|
|
121
|
+
}
|
|
122
|
+
.structure-popup.right {
|
|
123
|
+
left: calc(100% + var(--structure-popup-gap, 1em));
|
|
124
|
+
}
|
|
125
|
+
.structure-popup.left {
|
|
126
|
+
right: calc(100% + var(--structure-popup-gap, 1em));
|
|
127
|
+
}
|
|
128
|
+
.close-btn {
|
|
129
|
+
background: transparent;
|
|
130
|
+
border: none;
|
|
131
|
+
cursor: pointer;
|
|
132
|
+
display: flex;
|
|
133
|
+
padding: 0;
|
|
134
|
+
font-size: inherit;
|
|
135
|
+
}
|
|
136
|
+
.close-btn:hover {
|
|
137
|
+
background: var(--pane-btn-bg-hover);
|
|
138
|
+
}
|
|
139
|
+
.structure-stats {
|
|
140
|
+
position: absolute;
|
|
141
|
+
top: 10px;
|
|
142
|
+
left: 10px;
|
|
143
|
+
background: transparent;
|
|
144
|
+
backdrop-filter: blur(8px);
|
|
145
|
+
color: var(--text-color);
|
|
146
|
+
padding: 4px 8px;
|
|
147
|
+
border-radius: 6px;
|
|
148
|
+
font-size: 0.85em;
|
|
149
|
+
z-index: 2;
|
|
150
|
+
}
|
|
151
|
+
</style>
|
|
@@ -0,0 +1,18 @@
|
|
|
1
|
+
import type { AnyStructure } from '../structure';
|
|
2
|
+
import type { StructurePopupContext, StructurePopupStats } from './types';
|
|
3
|
+
import type { Snippet } from 'svelte';
|
|
4
|
+
import type { HTMLAttributes } from 'svelte/elements';
|
|
5
|
+
type $$ComponentProps = Omit<HTMLAttributes<HTMLDivElement>, 'children'> & {
|
|
6
|
+
structure: AnyStructure;
|
|
7
|
+
place_right?: boolean;
|
|
8
|
+
width?: number;
|
|
9
|
+
height?: number;
|
|
10
|
+
onclose?: () => void;
|
|
11
|
+
stats?: StructurePopupStats;
|
|
12
|
+
top_left?: Snippet<[StructurePopupContext]>;
|
|
13
|
+
children?: Snippet<[StructurePopupContext]>;
|
|
14
|
+
popup_div?: HTMLDivElement;
|
|
15
|
+
};
|
|
16
|
+
declare const StructurePopup: import("svelte").Component<$$ComponentProps, {}, "popup_div">;
|
|
17
|
+
type StructurePopup = ReturnType<typeof StructurePopup>;
|
|
18
|
+
export default StructurePopup;
|
|
@@ -0,0 +1,8 @@
|
|
|
1
|
+
import type { HTMLAttributes } from 'svelte/elements';
|
|
2
|
+
type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
|
|
3
|
+
available_temperatures: number[];
|
|
4
|
+
temperature: number;
|
|
5
|
+
};
|
|
6
|
+
declare const TemperatureSlider: import("svelte").Component<$$ComponentProps, {}, "temperature">;
|
|
7
|
+
type TemperatureSlider = ReturnType<typeof TemperatureSlider>;
|
|
8
|
+
export default TemperatureSlider;
|
|
@@ -0,0 +1,18 @@
|
|
|
1
|
+
import type { ElementSymbol } from '../element';
|
|
2
|
+
import type { Point3D, Vec3 } from '../math';
|
|
3
|
+
import type { ConvexHullEntry, PhaseData } from './types';
|
|
4
|
+
export declare const TRIANGLE_VERTICES: readonly [readonly [1, 0], readonly [0.5, number], readonly [0, 0]];
|
|
5
|
+
export declare function composition_to_barycentric_3d(composition: Record<string, number>, elements: ElementSymbol[]): Vec3;
|
|
6
|
+
export declare function barycentric_to_ternary_xy(barycentric: Vec3): [number, number];
|
|
7
|
+
export declare function barycentric_to_ternary_xyz(barycentric: Vec3, formation_energy: number): Point3D;
|
|
8
|
+
export declare function get_triangle_centroid(): Point3D;
|
|
9
|
+
export declare function calculate_face_normal(p1: Point3D, p2: Point3D, p3: Point3D): Point3D;
|
|
10
|
+
export declare const calculate_face_centroid: (p1: Point3D, p2: Point3D, p3: Point3D) => Point3D;
|
|
11
|
+
export declare function get_ternary_3d_coordinates(entries: PhaseData[], elements: ElementSymbol[], el_refs?: Record<string, PhaseData>): ConvexHullEntry[];
|
|
12
|
+
export declare function get_triangle_edges(): [Point3D, Point3D][];
|
|
13
|
+
export declare function get_triangle_vertical_edges(min_z: number, max_z: number): [Point3D, Point3D][];
|
|
14
|
+
export declare function composition_to_barycentric_nd(composition: Record<string, number>, elements: ElementSymbol[]): number[];
|
|
15
|
+
export declare const TETRAHEDRON_VERTICES: readonly [readonly [1, 0, 0], readonly [0.5, number, 0], readonly [0.5, number, number], readonly [0, 0, 0]];
|
|
16
|
+
export declare function composition_to_barycentric_4d(composition: Record<string, number>, elements: ElementSymbol[]): number[];
|
|
17
|
+
export declare function barycentric_to_tetrahedral(barycentric: number[]): Point3D;
|
|
18
|
+
export declare function compute_4d_coords(entries: PhaseData[], elements: ElementSymbol[]): ConvexHullEntry[];
|