matterviz 0.3.4 → 0.3.6
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/.vscode/launch.json +13 -0
- package/.vscodeignore +7 -0
- package/dist/assets/STLExporter-BpTH3YHE.js +8 -0
- package/dist/assets/browser-DdDecX_W.js +1 -0
- package/dist/assets/export-qgn-H9y6.js +2 -0
- package/dist/assets/main-DiKYzti2.css +1 -0
- package/dist/assets/moyo_wasm_bg-0ocwg7xY.wasm +0 -0
- package/dist/extension.js +31293 -0
- package/dist/src/lib/FilePicker.svelte +360 -0
- package/dist/src/lib/MillerIndexInput.svelte +66 -0
- package/dist/src/lib/api/mp.ts +26 -0
- package/dist/src/lib/api/optimade.ts +204 -0
- package/dist/src/lib/app.css +247 -0
- package/dist/src/lib/brillouin/BrillouinZone.svelte +549 -0
- package/dist/src/lib/brillouin/BrillouinZoneControls.svelte +144 -0
- package/dist/src/lib/brillouin/BrillouinZoneExportPane.svelte +146 -0
- package/dist/src/lib/brillouin/BrillouinZoneInfoPane.svelte +146 -0
- package/dist/src/lib/brillouin/BrillouinZoneScene.svelte +476 -0
- package/dist/src/lib/brillouin/BrillouinZoneTooltip.svelte +92 -0
- package/dist/src/lib/brillouin/compute.ts +529 -0
- package/dist/src/lib/brillouin/index.ts +8 -0
- package/dist/src/lib/brillouin/types.ts +51 -0
- package/dist/src/lib/chempot-diagram/ChemPotDiagram.svelte +327 -0
- package/dist/src/lib/chempot-diagram/ChemPotDiagram2D.svelte +846 -0
- package/dist/src/lib/chempot-diagram/ChemPotDiagram3D.svelte +3193 -0
- package/dist/src/lib/chempot-diagram/async-compute.svelte.ts +94 -0
- package/dist/src/lib/chempot-diagram/chempot-worker.ts +11 -0
- package/dist/src/lib/chempot-diagram/color.ts +42 -0
- package/dist/src/lib/chempot-diagram/compute.ts +1014 -0
- package/dist/src/lib/chempot-diagram/index.ts +6 -0
- package/dist/src/lib/chempot-diagram/pointer.ts +56 -0
- package/dist/src/lib/chempot-diagram/temperature.ts +77 -0
- package/dist/src/lib/chempot-diagram/types.ts +130 -0
- package/dist/src/lib/colors/index.ts +249 -0
- package/dist/src/lib/composition/BarChart.svelte +297 -0
- package/dist/src/lib/composition/BubbleChart.svelte +218 -0
- package/dist/src/lib/composition/Composition.svelte +165 -0
- package/dist/src/lib/composition/Formula.svelte +268 -0
- package/dist/src/lib/composition/FormulaFilter.svelte +1257 -0
- package/dist/src/lib/composition/PieChart.svelte +323 -0
- package/dist/src/lib/composition/format.ts +155 -0
- package/dist/src/lib/composition/index.ts +37 -0
- package/dist/src/lib/composition/parse.ts +605 -0
- package/dist/src/lib/constants.ts +134 -0
- package/dist/src/lib/controls.ts +42 -0
- package/dist/src/lib/convex-hull/ConvexHull.svelte +157 -0
- package/dist/src/lib/convex-hull/ConvexHull2D.svelte +825 -0
- package/dist/src/lib/convex-hull/ConvexHull3D.svelte +1801 -0
- package/dist/src/lib/convex-hull/ConvexHull4D.svelte +1398 -0
- package/dist/src/lib/convex-hull/ConvexHullControls.svelte +535 -0
- package/dist/src/lib/convex-hull/ConvexHullInfoPane.svelte +125 -0
- package/dist/src/lib/convex-hull/ConvexHullStats.svelte +929 -0
- package/dist/src/lib/convex-hull/ConvexHullTooltip.svelte +131 -0
- package/dist/src/lib/convex-hull/GasPressureControls.svelte +247 -0
- package/dist/src/lib/convex-hull/StructurePopup.svelte +151 -0
- package/dist/src/lib/convex-hull/TemperatureSlider.svelte +140 -0
- package/dist/src/lib/convex-hull/barycentric-coords.ts +246 -0
- package/dist/src/lib/convex-hull/demo-temperature.ts +63 -0
- package/dist/src/lib/convex-hull/gas-thermodynamics.ts +405 -0
- package/dist/src/lib/convex-hull/helpers.ts +932 -0
- package/dist/src/lib/convex-hull/index.ts +202 -0
- package/dist/src/lib/convex-hull/thermodynamics.ts +2192 -0
- package/dist/src/lib/convex-hull/types.ts +267 -0
- package/dist/src/lib/coordination/CoordinationBarPlot.svelte +311 -0
- package/dist/src/lib/coordination/calc-coordination.ts +93 -0
- package/dist/src/lib/coordination/index.ts +9 -0
- package/dist/src/lib/effects.svelte.ts +48 -0
- package/dist/src/lib/element/BohrAtom.svelte +147 -0
- package/dist/src/lib/element/ElementHeading.svelte +26 -0
- package/dist/src/lib/element/ElementPhoto.svelte +57 -0
- package/dist/src/lib/element/ElementStats.svelte +80 -0
- package/dist/src/lib/element/ElementTile.svelte +484 -0
- package/dist/src/lib/element/data.json.gz.d.ts +4 -0
- package/dist/src/lib/element/data.ts +14 -0
- package/dist/src/lib/element/index.ts +8 -0
- package/dist/src/lib/element/types.ts +62 -0
- package/dist/src/lib/feedback/ClickFeedback.svelte +58 -0
- package/dist/src/lib/feedback/DragOverlay.svelte +42 -0
- package/dist/src/lib/feedback/index.ts +4 -0
- package/dist/src/lib/fermi-surface/FermiSlice.svelte +189 -0
- package/dist/src/lib/fermi-surface/FermiSurface.svelte +600 -0
- package/dist/src/lib/fermi-surface/FermiSurfaceControls.svelte +448 -0
- package/dist/src/lib/fermi-surface/FermiSurfaceScene.svelte +794 -0
- package/dist/src/lib/fermi-surface/FermiSurfaceTooltip.svelte +111 -0
- package/dist/src/lib/fermi-surface/compute.ts +728 -0
- package/dist/src/lib/fermi-surface/constants.ts +32 -0
- package/dist/src/lib/fermi-surface/export.ts +64 -0
- package/dist/src/lib/fermi-surface/index.ts +14 -0
- package/dist/src/lib/fermi-surface/marching-cubes.ts +3 -0
- package/dist/src/lib/fermi-surface/parse.ts +574 -0
- package/dist/src/lib/fermi-surface/symmetry.ts +56 -0
- package/dist/src/lib/fermi-surface/types.ts +159 -0
- package/dist/src/lib/heatmap-matrix/HeatmapMatrix.svelte +1545 -0
- package/dist/src/lib/heatmap-matrix/HeatmapMatrixControls.svelte +225 -0
- package/dist/src/lib/heatmap-matrix/index.ts +167 -0
- package/dist/src/lib/heatmap-matrix/shared.ts +7 -0
- package/dist/src/lib/icons.ts +650 -0
- package/dist/src/lib/index.ts +61 -0
- package/dist/src/lib/io/decompress.ts +92 -0
- package/dist/src/lib/io/export.ts +385 -0
- package/dist/src/lib/io/fetch.ts +46 -0
- package/dist/src/lib/io/file-drop.ts +51 -0
- package/dist/src/lib/io/index.ts +7 -0
- package/dist/src/lib/io/is-binary.ts +24 -0
- package/dist/src/lib/io/types.ts +8 -0
- package/dist/src/lib/io/url-drop.ts +141 -0
- package/dist/src/lib/isosurface/Isosurface.svelte +285 -0
- package/dist/src/lib/isosurface/IsosurfaceControls.svelte +277 -0
- package/dist/src/lib/isosurface/index.ts +7 -0
- package/dist/src/lib/isosurface/parse.ts +656 -0
- package/dist/src/lib/isosurface/slice.ts +175 -0
- package/dist/src/lib/isosurface/types.ts +309 -0
- package/dist/src/lib/labels.ts +320 -0
- package/dist/src/lib/layout/FullscreenToggle.svelte +50 -0
- package/dist/src/lib/layout/InfoCard.svelte +120 -0
- package/dist/src/lib/layout/InfoTag.svelte +185 -0
- package/dist/src/lib/layout/PropertyFilter.svelte +246 -0
- package/dist/src/lib/layout/SettingsSection.svelte +148 -0
- package/dist/src/lib/layout/SubpageGrid.svelte +82 -0
- package/dist/src/lib/layout/fullscreen.ts +65 -0
- package/dist/src/lib/layout/index.ts +11 -0
- package/dist/src/lib/layout/json-tree/JsonNode.svelte +548 -0
- package/dist/src/lib/layout/json-tree/JsonTree.svelte +1230 -0
- package/dist/src/lib/layout/json-tree/JsonValue.svelte +334 -0
- package/dist/src/lib/layout/json-tree/index.ts +3 -0
- package/dist/src/lib/layout/json-tree/types.ts +126 -0
- package/dist/src/lib/layout/json-tree/utils.ts +682 -0
- package/dist/src/lib/marching-cubes.ts +614 -0
- package/dist/src/lib/math.ts +1081 -0
- package/dist/src/lib/overlays/ContextMenu.svelte +162 -0
- package/dist/src/lib/overlays/CopyButton.svelte +45 -0
- package/dist/src/lib/overlays/DragControlTab.svelte +98 -0
- package/dist/src/lib/overlays/DraggablePane.svelte +487 -0
- package/dist/src/lib/overlays/InfoPaneCards.svelte +149 -0
- package/dist/src/lib/overlays/index.ts +3 -0
- package/dist/src/lib/periodic-table/PeriodicTable.svelte +469 -0
- package/dist/src/lib/periodic-table/PeriodicTableControls.svelte +557 -0
- package/dist/src/lib/periodic-table/PropertySelect.svelte +37 -0
- package/dist/src/lib/periodic-table/index.ts +12 -0
- package/dist/src/lib/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +1086 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramControls.svelte +444 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramEditorPane.svelte +126 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramExportPane.svelte +184 -0
- package/dist/src/lib/phase-diagram/PhaseDiagramTooltip.svelte +391 -0
- package/dist/src/lib/phase-diagram/TdbInfoPanel.svelte +203 -0
- package/dist/src/lib/phase-diagram/build-diagram.ts +186 -0
- package/dist/src/lib/phase-diagram/colors.ts +58 -0
- package/dist/src/lib/phase-diagram/diagram-input.ts +40 -0
- package/dist/src/lib/phase-diagram/index.ts +13 -0
- package/dist/src/lib/phase-diagram/parse.ts +348 -0
- package/dist/src/lib/phase-diagram/svg-to-diagram.ts +1023 -0
- package/dist/src/lib/phase-diagram/types.ts +144 -0
- package/dist/src/lib/phase-diagram/utils.ts +775 -0
- package/dist/src/lib/plot/AxisLabel.svelte +51 -0
- package/dist/src/lib/plot/BarPlot.svelte +2113 -0
- package/dist/src/lib/plot/BarPlotControls.svelte +66 -0
- package/dist/src/lib/plot/BinnedScatterPlot.svelte +1114 -0
- package/dist/src/lib/plot/ColorBar.svelte +721 -0
- package/dist/src/lib/plot/ColorScaleSelect.svelte +54 -0
- package/dist/src/lib/plot/ElementScatter.svelte +63 -0
- package/dist/src/lib/plot/FillArea.svelte +223 -0
- package/dist/src/lib/plot/Histogram.svelte +1558 -0
- package/dist/src/lib/plot/HistogramControls.svelte +212 -0
- package/dist/src/lib/plot/InteractiveAxisLabel.svelte +96 -0
- package/dist/src/lib/plot/Line.svelte +84 -0
- package/dist/src/lib/plot/PlotAxis.svelte +169 -0
- package/dist/src/lib/plot/PlotControls.svelte +537 -0
- package/dist/src/lib/plot/PlotLegend.svelte +569 -0
- package/dist/src/lib/plot/PlotTooltip.svelte +67 -0
- package/dist/src/lib/plot/PortalSelect.svelte +253 -0
- package/dist/src/lib/plot/ReferenceLine3D.svelte +156 -0
- package/dist/src/lib/plot/ReferencePlane.svelte +175 -0
- package/dist/src/lib/plot/ScatterPlot.svelte +2778 -0
- package/dist/src/lib/plot/ScatterPlot3D.svelte +529 -0
- package/dist/src/lib/plot/ScatterPlot3DControls.svelte +437 -0
- package/dist/src/lib/plot/ScatterPlot3DScene.svelte +912 -0
- package/dist/src/lib/plot/ScatterPlotControls.svelte +306 -0
- package/dist/src/lib/plot/ScatterPoint.svelte +182 -0
- package/dist/src/lib/plot/SpacegroupBarPlot.svelte +293 -0
- package/dist/src/lib/plot/Surface3D.svelte +197 -0
- package/dist/src/lib/plot/ZeroLines.svelte +97 -0
- package/dist/src/lib/plot/ZoomRect.svelte +23 -0
- package/dist/src/lib/plot/adaptive-density.ts +316 -0
- package/dist/src/lib/plot/auto-place.ts +184 -0
- package/dist/src/lib/plot/axis-utils.ts +122 -0
- package/dist/src/lib/plot/binned-scatter-types.ts +83 -0
- package/dist/src/lib/plot/data-cleaning.ts +1069 -0
- package/dist/src/lib/plot/data-transform.ts +69 -0
- package/dist/src/lib/plot/defaults.ts +9 -0
- package/dist/src/lib/plot/fill-utils.ts +494 -0
- package/dist/src/lib/plot/hover-lock.svelte.ts +60 -0
- package/dist/src/lib/plot/index.ts +53 -0
- package/dist/src/lib/plot/interactions.ts +119 -0
- package/dist/src/lib/plot/layout.ts +425 -0
- package/dist/src/lib/plot/reference-line.ts +426 -0
- package/dist/src/lib/plot/scales.ts +654 -0
- package/dist/src/lib/plot/svg.ts +23 -0
- package/dist/src/lib/plot/types.ts +1144 -0
- package/dist/src/lib/plot/utils/label-placement.ts +541 -0
- package/dist/src/lib/plot/utils/series-visibility.ts +140 -0
- package/dist/src/lib/plot/utils.ts +11 -0
- package/dist/src/lib/rdf/RdfPlot.svelte +247 -0
- package/dist/src/lib/rdf/calc-rdf.ts +167 -0
- package/dist/src/lib/rdf/index.ts +27 -0
- package/dist/src/lib/sanitize.ts +126 -0
- package/dist/src/lib/settings.ts +1479 -0
- package/dist/src/lib/spectral/Bands.svelte +1040 -0
- package/dist/src/lib/spectral/BandsAndDos.svelte +134 -0
- package/dist/src/lib/spectral/BrillouinBandsDos.svelte +252 -0
- package/dist/src/lib/spectral/Dos.svelte +697 -0
- package/dist/src/lib/spectral/helpers.ts +1381 -0
- package/dist/src/lib/spectral/index.ts +8 -0
- package/dist/src/lib/spectral/types.ts +112 -0
- package/dist/src/lib/state.svelte.ts +64 -0
- package/dist/src/lib/structure/Arrow.svelte +72 -0
- package/dist/src/lib/structure/AtomLegend.svelte +815 -0
- package/dist/src/lib/structure/Bond.svelte +140 -0
- package/dist/src/lib/structure/CanvasTooltip.svelte +33 -0
- package/dist/src/lib/structure/CellSelect.svelte +349 -0
- package/dist/src/lib/structure/Cylinder.svelte +45 -0
- package/dist/src/lib/structure/Lattice.svelte +196 -0
- package/dist/src/lib/structure/Structure.svelte +2248 -0
- package/dist/src/lib/structure/StructureControls.svelte +1273 -0
- package/dist/src/lib/structure/StructureExportPane.svelte +252 -0
- package/dist/src/lib/structure/StructureInfoPane.svelte +737 -0
- package/dist/src/lib/structure/StructureScene.svelte +2255 -0
- package/dist/src/lib/structure/atom-properties.ts +316 -0
- package/dist/src/lib/structure/bond-order-perception.ts +447 -0
- package/dist/src/lib/structure/bonding.ts +944 -0
- package/dist/src/lib/structure/export.ts +861 -0
- package/dist/src/lib/structure/index.ts +291 -0
- package/dist/src/lib/structure/label-placement.ts +130 -0
- package/dist/src/lib/structure/measure.ts +45 -0
- package/dist/src/lib/structure/parse.ts +1705 -0
- package/dist/src/lib/structure/partial-occupancy.ts +183 -0
- package/dist/src/lib/structure/pbc.ts +164 -0
- package/dist/src/lib/structure/supercell.ts +226 -0
- package/dist/src/lib/structure/validation.ts +11 -0
- package/dist/src/lib/symmetry/SymmetryStats.svelte +226 -0
- package/dist/src/lib/symmetry/WyckoffTable.svelte +120 -0
- package/dist/src/lib/symmetry/cell-transform.ts +118 -0
- package/dist/src/lib/symmetry/index.ts +348 -0
- package/dist/src/lib/symmetry/spacegroups.ts +404 -0
- package/dist/src/lib/table/HeatmapTable.svelte +1833 -0
- package/dist/src/lib/table/ToggleMenu.svelte +385 -0
- package/dist/src/lib/table/index.ts +139 -0
- package/dist/src/lib/theme/ThemeControl.svelte +53 -0
- package/dist/src/lib/theme/index.ts +107 -0
- package/dist/src/lib/theme/themes.mjs +297 -0
- package/dist/src/lib/time.ts +71 -0
- package/dist/src/lib/tooltip/TooltipContent.svelte +58 -0
- package/dist/src/lib/tooltip/index.ts +2 -0
- package/dist/src/lib/tooltip/types.ts +13 -0
- package/dist/src/lib/trajectory/Trajectory.svelte +1545 -0
- package/dist/src/lib/trajectory/TrajectoryError.svelte +128 -0
- package/dist/src/lib/trajectory/TrajectoryExportPane.svelte +357 -0
- package/dist/src/lib/trajectory/TrajectoryInfoPane.svelte +313 -0
- package/dist/src/lib/trajectory/constants.ts +7 -0
- package/dist/src/lib/trajectory/extract.ts +196 -0
- package/dist/src/lib/trajectory/format-detect.ts +96 -0
- package/dist/src/lib/trajectory/frame-reader.ts +456 -0
- package/dist/src/lib/trajectory/helpers.ts +217 -0
- package/dist/src/lib/trajectory/index.ts +218 -0
- package/dist/src/lib/trajectory/parse/ase.ts +109 -0
- package/dist/src/lib/trajectory/parse/hdf5.ts +173 -0
- package/dist/src/lib/trajectory/parse/index.ts +411 -0
- package/dist/src/lib/trajectory/parse/lammps.ts +215 -0
- package/dist/src/lib/trajectory/parse/vasp.ts +102 -0
- package/dist/src/lib/trajectory/parse/xyz.ts +143 -0
- package/dist/src/lib/trajectory/plotting.ts +599 -0
- package/dist/src/lib/trajectory/types.ts +13 -0
- package/dist/src/lib/utils.ts +56 -0
- package/dist/src/lib/xrd/XrdPlot.svelte +615 -0
- package/dist/src/lib/xrd/broadening.ts +130 -0
- package/dist/src/lib/xrd/calc-xrd.ts +397 -0
- package/dist/src/lib/xrd/index.ts +38 -0
- package/dist/src/lib/xrd/parse.ts +858 -0
- package/dist/webview.js +29421 -0
- package/icon.png +0 -0
- package/license +1 -1
- 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/package.json +1461 -231
- package/readme.md +171 -98
- package/scripts/sync-config.ts +101 -0
- package/src/declarations.d.ts +2 -0
- package/src/extension.ts +972 -0
- package/src/node-io.ts +65 -0
- package/src/types.ts +17 -0
- package/src/webview/JsonBrowser.svelte +1079 -0
- package/src/webview/PlotPanel.svelte +346 -0
- package/src/webview/detect.ts +444 -0
- package/src/webview/main.ts +764 -0
- package/src/webview/plot-utils.ts +250 -0
- 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 +604 -0
- package/tests/extension.test.ts +2041 -0
- package/tests/node-io.test.ts +39 -0
- package/tests/plot-utils.test.ts +302 -0
- package/tests/vite-plugin-json-gz.test.ts +114 -0
- package/tests/vscode-mock.ts +18 -0
- package/tests/webview.test.ts +231 -0
- package/tsconfig.json +20 -0
- package/vite-plugin-json-gz.ts +29 -0
- package/vite.config.ts +34 -0
- package/vite.extension.config.ts +34 -0
- package/dist/EmptyState.svelte.d.ts +0 -9
- package/dist/FilePicker.svelte +0 -360
- package/dist/FilePicker.svelte.d.ts +0 -17
- package/dist/Icon.svelte.d.ts +0 -13
- package/dist/MillerIndexInput.svelte +0 -66
- package/dist/MillerIndexInput.svelte.d.ts +0 -7
- package/dist/api/mp.d.ts +0 -6
- package/dist/api/mp.js +0 -22
- package/dist/api/optimade.d.ts +0 -45
- package/dist/api/optimade.js +0 -135
- package/dist/app.css +0 -240
- package/dist/brillouin/BrillouinZone.svelte +0 -543
- package/dist/brillouin/BrillouinZone.svelte.d.ts +0 -83
- package/dist/brillouin/BrillouinZoneControls.svelte +0 -144
- package/dist/brillouin/BrillouinZoneControls.svelte.d.ts +0 -17
- package/dist/brillouin/BrillouinZoneExportPane.svelte +0 -148
- package/dist/brillouin/BrillouinZoneExportPane.svelte.d.ts +0 -15
- package/dist/brillouin/BrillouinZoneInfoPane.svelte +0 -146
- package/dist/brillouin/BrillouinZoneInfoPane.svelte.d.ts +0 -13
- package/dist/brillouin/BrillouinZoneScene.svelte +0 -476
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +0 -48
- package/dist/brillouin/BrillouinZoneTooltip.svelte +0 -92
- package/dist/brillouin/BrillouinZoneTooltip.svelte.d.ts +0 -8
- package/dist/brillouin/compute.d.ts +0 -17
- package/dist/brillouin/compute.js +0 -422
- package/dist/brillouin/index.d.ts +0 -8
- package/dist/brillouin/index.js +0 -8
- package/dist/brillouin/types.d.ts +0 -48
- package/dist/brillouin/types.js +0 -1
- package/dist/chempot-diagram/ChemPotDiagram.svelte +0 -327
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +0 -13
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +0 -847
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +0 -16
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +0 -3194
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +0 -16
- package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +0 -7
- package/dist/chempot-diagram/async-compute.svelte.d.ts +0 -3
- package/dist/chempot-diagram/async-compute.svelte.js +0 -77
- package/dist/chempot-diagram/chempot-worker.d.ts +0 -1
- package/dist/chempot-diagram/chempot-worker.js +0 -11
- package/dist/chempot-diagram/color.d.ts +0 -10
- package/dist/chempot-diagram/color.js +0 -32
- package/dist/chempot-diagram/compute.d.ts +0 -48
- package/dist/chempot-diagram/compute.js +0 -812
- package/dist/chempot-diagram/index.d.ts +0 -6
- package/dist/chempot-diagram/index.js +0 -6
- package/dist/chempot-diagram/pointer.d.ts +0 -16
- package/dist/chempot-diagram/pointer.js +0 -40
- package/dist/chempot-diagram/temperature.d.ts +0 -15
- package/dist/chempot-diagram/temperature.js +0 -36
- package/dist/chempot-diagram/types.d.ts +0 -86
- package/dist/chempot-diagram/types.js +0 -28
- package/dist/colors/index.d.ts +0 -47
- package/dist/colors/index.js +0 -203
- package/dist/composition/BarChart.svelte +0 -297
- package/dist/composition/BarChart.svelte.d.ts +0 -39
- package/dist/composition/BubbleChart.svelte +0 -218
- package/dist/composition/BubbleChart.svelte.d.ts +0 -28
- package/dist/composition/Composition.svelte +0 -164
- package/dist/composition/Composition.svelte.d.ts +0 -15
- package/dist/composition/Formula.svelte +0 -265
- package/dist/composition/Formula.svelte.d.ts +0 -19
- package/dist/composition/FormulaFilter.svelte +0 -1259
- package/dist/composition/FormulaFilter.svelte.d.ts +0 -51
- package/dist/composition/PieChart.svelte +0 -323
- package/dist/composition/PieChart.svelte.d.ts +0 -37
- package/dist/composition/format.d.ts +0 -15
- package/dist/composition/format.js +0 -109
- package/dist/composition/index.d.ts +0 -20
- package/dist/composition/index.js +0 -14
- package/dist/composition/parse.d.ts +0 -55
- package/dist/composition/parse.js +0 -459
- package/dist/constants.d.ts +0 -29
- package/dist/constants.js +0 -105
- package/dist/controls.d.ts +0 -14
- package/dist/controls.js +0 -30
- package/dist/convex-hull/ConvexHull.svelte +0 -157
- package/dist/convex-hull/ConvexHull.svelte.d.ts +0 -13
- package/dist/convex-hull/ConvexHull2D.svelte +0 -813
- package/dist/convex-hull/ConvexHull2D.svelte.d.ts +0 -11
- package/dist/convex-hull/ConvexHull3D.svelte +0 -1788
- package/dist/convex-hull/ConvexHull3D.svelte.d.ts +0 -8
- package/dist/convex-hull/ConvexHull4D.svelte +0 -1374
- package/dist/convex-hull/ConvexHull4D.svelte.d.ts +0 -8
- package/dist/convex-hull/ConvexHullControls.svelte +0 -546
- package/dist/convex-hull/ConvexHullControls.svelte.d.ts +0 -48
- package/dist/convex-hull/ConvexHullInfoPane.svelte +0 -115
- package/dist/convex-hull/ConvexHullInfoPane.svelte.d.ts +0 -18
- package/dist/convex-hull/ConvexHullStats.svelte +0 -905
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +0 -15
- package/dist/convex-hull/ConvexHullTooltip.svelte +0 -131
- package/dist/convex-hull/ConvexHullTooltip.svelte.d.ts +0 -33
- package/dist/convex-hull/GasPressureControls.svelte +0 -247
- package/dist/convex-hull/GasPressureControls.svelte.d.ts +0 -11
- package/dist/convex-hull/StructurePopup.svelte +0 -116
- package/dist/convex-hull/StructurePopup.svelte.d.ts +0 -18
- package/dist/convex-hull/TemperatureSlider.svelte +0 -137
- package/dist/convex-hull/TemperatureSlider.svelte.d.ts +0 -8
- package/dist/convex-hull/barycentric-coords.d.ts +0 -18
- package/dist/convex-hull/barycentric-coords.js +0 -182
- package/dist/convex-hull/demo-temperature.d.ts +0 -6
- package/dist/convex-hull/demo-temperature.js +0 -40
- package/dist/convex-hull/gas-thermodynamics.d.ts +0 -16
- package/dist/convex-hull/gas-thermodynamics.js +0 -316
- package/dist/convex-hull/helpers.d.ts +0 -103
- package/dist/convex-hull/helpers.js +0 -671
- package/dist/convex-hull/index.d.ts +0 -118
- package/dist/convex-hull/index.js +0 -57
- package/dist/convex-hull/thermodynamics.d.ts +0 -66
- package/dist/convex-hull/thermodynamics.js +0 -1752
- package/dist/convex-hull/types.d.ts +0 -162
- package/dist/convex-hull/types.js +0 -36
- package/dist/coordination/CoordinationBarPlot.svelte +0 -311
- package/dist/coordination/CoordinationBarPlot.svelte.d.ts +0 -30
- package/dist/coordination/calc-coordination.d.ts +0 -15
- package/dist/coordination/calc-coordination.js +0 -63
- package/dist/coordination/index.d.ts +0 -8
- package/dist/coordination/index.js +0 -7
- package/dist/element/BohrAtom.svelte +0 -149
- package/dist/element/BohrAtom.svelte.d.ts +0 -20
- package/dist/element/ElementHeading.svelte +0 -26
- package/dist/element/ElementHeading.svelte.d.ts +0 -8
- package/dist/element/ElementPhoto.svelte +0 -57
- package/dist/element/ElementPhoto.svelte.d.ts +0 -9
- package/dist/element/ElementStats.svelte +0 -80
- package/dist/element/ElementStats.svelte.d.ts +0 -8
- package/dist/element/ElementTile.svelte +0 -484
- package/dist/element/ElementTile.svelte.d.ts +0 -29
- package/dist/element/Nucleus.svelte.d.ts +0 -17
- package/dist/element/data.d.ts +0 -3
- package/dist/element/data.js +0 -2
- package/dist/element/data.json.gz.d.ts +0 -2
- package/dist/element/index.d.ts +0 -8
- package/dist/element/index.js +0 -8
- package/dist/element/types.d.ts +0 -57
- package/dist/element/types.js +0 -1
- package/dist/feedback/ClickFeedback.svelte +0 -58
- package/dist/feedback/ClickFeedback.svelte.d.ts +0 -12
- package/dist/feedback/DragOverlay.svelte +0 -42
- package/dist/feedback/DragOverlay.svelte.d.ts +0 -7
- package/dist/feedback/Spinner.svelte.d.ts +0 -7
- package/dist/feedback/StatusMessage.svelte.d.ts +0 -9
- package/dist/feedback/index.d.ts +0 -4
- package/dist/feedback/index.js +0 -4
- package/dist/fermi-surface/FermiSlice.svelte +0 -189
- package/dist/fermi-surface/FermiSlice.svelte.d.ts +0 -24
- package/dist/fermi-surface/FermiSurface.svelte +0 -597
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +0 -83
- package/dist/fermi-surface/FermiSurfaceControls.svelte +0 -452
- package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +0 -35
- package/dist/fermi-surface/FermiSurfaceScene.svelte +0 -792
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +0 -50
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte +0 -111
- package/dist/fermi-surface/FermiSurfaceTooltip.svelte.d.ts +0 -8
- package/dist/fermi-surface/compute.d.ts +0 -5
- package/dist/fermi-surface/compute.js +0 -538
- package/dist/fermi-surface/constants.d.ts +0 -9
- package/dist/fermi-surface/constants.js +0 -27
- package/dist/fermi-surface/export.d.ts +0 -5
- package/dist/fermi-surface/export.js +0 -63
- package/dist/fermi-surface/index.d.ts +0 -12
- package/dist/fermi-surface/index.js +0 -13
- package/dist/fermi-surface/marching-cubes.d.ts +0 -2
- package/dist/fermi-surface/marching-cubes.js +0 -2
- package/dist/fermi-surface/parse.d.ts +0 -2
- package/dist/fermi-surface/parse.js +0 -495
- package/dist/fermi-surface/symmetry.d.ts +0 -3
- package/dist/fermi-surface/symmetry.js +0 -46
- package/dist/fermi-surface/types.d.ts +0 -113
- package/dist/fermi-surface/types.js +0 -4
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +0 -1527
- package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +0 -110
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +0 -225
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +0 -30
- package/dist/heatmap-matrix/index.d.ts +0 -53
- package/dist/heatmap-matrix/index.js +0 -100
- package/dist/heatmap-matrix/shared.d.ts +0 -2
- package/dist/heatmap-matrix/shared.js +0 -4
- package/dist/icons.d.ts +0 -569
- package/dist/icons.js +0 -648
- package/dist/index.d.ts +0 -39
- package/dist/index.js +0 -39
- package/dist/io/decompress.d.ts +0 -10
- package/dist/io/decompress.js +0 -69
- package/dist/io/export.d.ts +0 -16
- package/dist/io/export.js +0 -312
- package/dist/io/fetch.d.ts +0 -5
- package/dist/io/fetch.js +0 -39
- package/dist/io/file-drop.d.ts +0 -7
- package/dist/io/file-drop.js +0 -43
- package/dist/io/index.d.ts +0 -7
- package/dist/io/index.js +0 -7
- package/dist/io/is-binary.d.ts +0 -1
- package/dist/io/is-binary.js +0 -5
- package/dist/io/types.d.ts +0 -8
- package/dist/io/types.js +0 -1
- package/dist/io/url-drop.d.ts +0 -2
- package/dist/io/url-drop.js +0 -117
- package/dist/isosurface/Isosurface.svelte +0 -285
- package/dist/isosurface/Isosurface.svelte.d.ts +0 -8
- package/dist/isosurface/IsosurfaceControls.svelte +0 -291
- package/dist/isosurface/IsosurfaceControls.svelte.d.ts +0 -9
- package/dist/isosurface/index.d.ts +0 -5
- package/dist/isosurface/index.js +0 -6
- package/dist/isosurface/parse.d.ts +0 -6
- package/dist/isosurface/parse.js +0 -553
- package/dist/isosurface/slice.d.ts +0 -11
- package/dist/isosurface/slice.js +0 -140
- package/dist/isosurface/types.d.ts +0 -56
- package/dist/isosurface/types.js +0 -227
- package/dist/labels.d.ts +0 -53
- package/dist/labels.js +0 -274
- package/dist/layout/FullscreenToggle.svelte +0 -50
- package/dist/layout/FullscreenToggle.svelte.d.ts +0 -7
- package/dist/layout/InfoCard.svelte +0 -120
- package/dist/layout/InfoCard.svelte.d.ts +0 -21
- package/dist/layout/InfoTag.svelte +0 -183
- package/dist/layout/InfoTag.svelte.d.ts +0 -19
- package/dist/layout/PropertyFilter.svelte +0 -244
- package/dist/layout/PropertyFilter.svelte.d.ts +0 -24
- package/dist/layout/SettingsSection.svelte +0 -148
- package/dist/layout/SettingsSection.svelte.d.ts +0 -17
- package/dist/layout/SubpageGrid.svelte +0 -82
- package/dist/layout/SubpageGrid.svelte.d.ts +0 -14
- package/dist/layout/fullscreen.d.ts +0 -9
- package/dist/layout/fullscreen.js +0 -53
- package/dist/layout/index.d.ts +0 -10
- package/dist/layout/index.js +0 -8
- package/dist/layout/json-tree/JsonNode.svelte +0 -547
- package/dist/layout/json-tree/JsonNode.svelte.d.ts +0 -11
- package/dist/layout/json-tree/JsonTree.svelte +0 -1222
- package/dist/layout/json-tree/JsonTree.svelte.d.ts +0 -6
- package/dist/layout/json-tree/JsonValue.svelte +0 -334
- package/dist/layout/json-tree/JsonValue.svelte.d.ts +0 -9
- package/dist/layout/json-tree/index.d.ts +0 -3
- package/dist/layout/json-tree/index.js +0 -3
- package/dist/layout/json-tree/types.d.ts +0 -73
- package/dist/layout/json-tree/types.js +0 -3
- package/dist/layout/json-tree/utils.d.ts +0 -29
- package/dist/layout/json-tree/utils.js +0 -648
- package/dist/marching-cubes.d.ts +0 -14
- package/dist/marching-cubes.js +0 -542
- package/dist/math.d.ts +0 -91
- package/dist/math.js +0 -896
- package/dist/overlays/ContextMenu.svelte +0 -162
- package/dist/overlays/ContextMenu.svelte.d.ts +0 -25
- package/dist/overlays/DraggablePane.svelte +0 -564
- package/dist/overlays/DraggablePane.svelte.d.ts +0 -36
- package/dist/overlays/index.d.ts +0 -2
- package/dist/overlays/index.js +0 -2
- package/dist/periodic-table/PeriodicTable.svelte +0 -469
- package/dist/periodic-table/PeriodicTable.svelte.d.ts +0 -55
- package/dist/periodic-table/PeriodicTableControls.svelte +0 -557
- package/dist/periodic-table/PeriodicTableControls.svelte.d.ts +0 -24
- package/dist/periodic-table/PropertySelect.svelte +0 -37
- package/dist/periodic-table/PropertySelect.svelte.d.ts +0 -13
- package/dist/periodic-table/TableInset.svelte.d.ts +0 -9
- package/dist/periodic-table/index.d.ts +0 -10
- package/dist/periodic-table/index.js +0 -4
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +0 -1086
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +0 -44
- package/dist/phase-diagram/PhaseDiagramControls.svelte +0 -451
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +0 -30
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +0 -126
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +0 -15
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +0 -192
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +0 -19
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +0 -392
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +0 -16
- package/dist/phase-diagram/TdbInfoPanel.svelte +0 -203
- package/dist/phase-diagram/TdbInfoPanel.svelte.d.ts +0 -12
- package/dist/phase-diagram/build-diagram.d.ts +0 -11
- package/dist/phase-diagram/build-diagram.js +0 -167
- package/dist/phase-diagram/colors.d.ts +0 -35
- package/dist/phase-diagram/colors.js +0 -51
- package/dist/phase-diagram/diagram-input.d.ts +0 -33
- package/dist/phase-diagram/diagram-input.js +0 -3
- package/dist/phase-diagram/index.d.ts +0 -13
- package/dist/phase-diagram/index.js +0 -13
- package/dist/phase-diagram/parse.d.ts +0 -55
- package/dist/phase-diagram/parse.js +0 -276
- package/dist/phase-diagram/svg-to-diagram.d.ts +0 -2
- package/dist/phase-diagram/svg-to-diagram.js +0 -869
- package/dist/phase-diagram/types.d.ts +0 -99
- package/dist/phase-diagram/types.js +0 -1
- package/dist/phase-diagram/utils.d.ts +0 -118
- package/dist/phase-diagram/utils.js +0 -606
- package/dist/plot/AxisLabel.svelte +0 -51
- package/dist/plot/AxisLabel.svelte.d.ts +0 -16
- package/dist/plot/BarPlot.svelte +0 -2256
- package/dist/plot/BarPlot.svelte.d.ts +0 -82
- package/dist/plot/BarPlotControls.svelte +0 -66
- package/dist/plot/BarPlotControls.svelte.d.ts +0 -18
- package/dist/plot/ColorBar.svelte +0 -719
- package/dist/plot/ColorBar.svelte.d.ts +0 -31
- package/dist/plot/ColorScaleSelect.svelte +0 -54
- package/dist/plot/ColorScaleSelect.svelte.d.ts +0 -15
- package/dist/plot/ElementScatter.svelte +0 -63
- package/dist/plot/ElementScatter.svelte.d.ts +0 -14
- package/dist/plot/FillArea.svelte +0 -226
- package/dist/plot/FillArea.svelte.d.ts +0 -20
- package/dist/plot/Histogram.svelte +0 -1654
- package/dist/plot/Histogram.svelte.d.ts +0 -50
- package/dist/plot/HistogramControls.svelte +0 -212
- package/dist/plot/HistogramControls.svelte.d.ts +0 -22
- package/dist/plot/InteractiveAxisLabel.svelte +0 -94
- package/dist/plot/InteractiveAxisLabel.svelte.d.ts +0 -14
- package/dist/plot/Line.svelte +0 -85
- package/dist/plot/Line.svelte.d.ts +0 -15
- package/dist/plot/PlotControls.svelte +0 -537
- package/dist/plot/PlotControls.svelte.d.ts +0 -4
- package/dist/plot/PlotLegend.svelte +0 -498
- package/dist/plot/PlotLegend.svelte.d.ts +0 -25
- package/dist/plot/PlotTooltip.svelte +0 -67
- package/dist/plot/PlotTooltip.svelte.d.ts +0 -17
- package/dist/plot/PortalSelect.svelte +0 -253
- package/dist/plot/PortalSelect.svelte.d.ts +0 -16
- package/dist/plot/ReferenceLine.svelte.d.ts +0 -20
- package/dist/plot/ReferenceLine3D.svelte +0 -154
- package/dist/plot/ReferenceLine3D.svelte.d.ts +0 -14
- package/dist/plot/ReferencePlane.svelte +0 -178
- package/dist/plot/ReferencePlane.svelte.d.ts +0 -14
- package/dist/plot/ScatterPlot.svelte +0 -2831
- package/dist/plot/ScatterPlot.svelte.d.ts +0 -92
- package/dist/plot/ScatterPlot3D.svelte +0 -499
- package/dist/plot/ScatterPlot3D.svelte.d.ts +0 -94
- package/dist/plot/ScatterPlot3DControls.svelte +0 -437
- package/dist/plot/ScatterPlot3DControls.svelte.d.ts +0 -20
- package/dist/plot/ScatterPlot3DScene.svelte +0 -912
- package/dist/plot/ScatterPlot3DScene.svelte.d.ts +0 -74
- package/dist/plot/ScatterPlotControls.svelte +0 -307
- package/dist/plot/ScatterPlotControls.svelte.d.ts +0 -17
- package/dist/plot/ScatterPoint.svelte +0 -185
- package/dist/plot/ScatterPoint.svelte.d.ts +0 -19
- package/dist/plot/SpacegroupBarPlot.svelte +0 -292
- package/dist/plot/SpacegroupBarPlot.svelte.d.ts +0 -9
- package/dist/plot/Surface3D.svelte +0 -200
- package/dist/plot/Surface3D.svelte.d.ts +0 -13
- package/dist/plot/ZeroLines.svelte +0 -96
- package/dist/plot/ZeroLines.svelte.d.ts +0 -32
- package/dist/plot/ZoomRect.svelte +0 -23
- package/dist/plot/ZoomRect.svelte.d.ts +0 -8
- package/dist/plot/axis-utils.d.ts +0 -19
- package/dist/plot/axis-utils.js +0 -80
- package/dist/plot/data-cleaning.d.ts +0 -37
- package/dist/plot/data-cleaning.js +0 -855
- package/dist/plot/data-transform.d.ts +0 -16
- package/dist/plot/data-transform.js +0 -45
- package/dist/plot/defaults.d.ts +0 -19
- package/dist/plot/defaults.js +0 -9
- package/dist/plot/fill-utils.d.ts +0 -51
- package/dist/plot/fill-utils.js +0 -337
- package/dist/plot/hover-lock.svelte.d.ts +0 -14
- package/dist/plot/hover-lock.svelte.js +0 -46
- package/dist/plot/index.d.ts +0 -43
- package/dist/plot/index.js +0 -37
- package/dist/plot/interactions.d.ts +0 -12
- package/dist/plot/interactions.js +0 -100
- package/dist/plot/layout.d.ts +0 -60
- package/dist/plot/layout.js +0 -230
- package/dist/plot/reference-line.d.ts +0 -60
- package/dist/plot/reference-line.js +0 -316
- package/dist/plot/scales.d.ts +0 -48
- package/dist/plot/scales.js +0 -484
- package/dist/plot/svg.d.ts +0 -1
- package/dist/plot/svg.js +0 -11
- package/dist/plot/types.d.ts +0 -863
- package/dist/plot/types.js +0 -103
- package/dist/plot/utils/label-placement.d.ts +0 -47
- package/dist/plot/utils/label-placement.js +0 -256
- package/dist/plot/utils/series-visibility.d.ts +0 -9
- package/dist/plot/utils/series-visibility.js +0 -67
- package/dist/plot/utils.d.ts +0 -1
- package/dist/plot/utils.js +0 -14
- package/dist/rdf/RdfPlot.svelte +0 -247
- package/dist/rdf/RdfPlot.svelte.d.ts +0 -27
- package/dist/rdf/calc-rdf.d.ts +0 -4
- package/dist/rdf/calc-rdf.js +0 -111
- package/dist/rdf/index.d.ts +0 -23
- package/dist/rdf/index.js +0 -2
- package/dist/sanitize.d.ts +0 -4
- package/dist/sanitize.js +0 -107
- package/dist/settings.d.ts +0 -253
- package/dist/settings.js +0 -1123
- package/dist/spectral/Bands.svelte +0 -1040
- package/dist/spectral/Bands.svelte.d.ts +0 -40
- package/dist/spectral/BandsAndDos.svelte +0 -128
- package/dist/spectral/BandsAndDos.svelte.d.ts +0 -18
- package/dist/spectral/BrillouinBandsDos.svelte +0 -248
- package/dist/spectral/BrillouinBandsDos.svelte.d.ts +0 -20
- package/dist/spectral/Dos.svelte +0 -697
- package/dist/spectral/Dos.svelte.d.ts +0 -29
- package/dist/spectral/helpers.d.ts +0 -117
- package/dist/spectral/helpers.js +0 -1023
- package/dist/spectral/index.d.ts +0 -6
- package/dist/spectral/index.js +0 -7
- package/dist/spectral/types.d.ts +0 -84
- package/dist/spectral/types.js +0 -2
- package/dist/state.svelte.d.ts +0 -25
- package/dist/state.svelte.js +0 -45
- package/dist/structure/Arrow.svelte +0 -72
- package/dist/structure/Arrow.svelte.d.ts +0 -15
- package/dist/structure/AtomLegend.svelte +0 -798
- package/dist/structure/AtomLegend.svelte.d.ts +0 -34
- package/dist/structure/Bond.svelte +0 -140
- package/dist/structure/Bond.svelte.d.ts +0 -9
- package/dist/structure/CanvasTooltip.svelte +0 -33
- package/dist/structure/CanvasTooltip.svelte.d.ts +0 -12
- package/dist/structure/CellSelect.svelte +0 -351
- package/dist/structure/CellSelect.svelte.d.ts +0 -13
- package/dist/structure/Cylinder.svelte +0 -45
- package/dist/structure/Cylinder.svelte.d.ts +0 -10
- package/dist/structure/Lattice.svelte +0 -196
- package/dist/structure/Lattice.svelte.d.ts +0 -17
- package/dist/structure/Structure.svelte +0 -1857
- package/dist/structure/Structure.svelte.d.ts +0 -83
- package/dist/structure/StructureControls.svelte +0 -1184
- package/dist/structure/StructureControls.svelte.d.ts +0 -31
- package/dist/structure/StructureExportPane.svelte +0 -251
- package/dist/structure/StructureExportPane.svelte.d.ts +0 -17
- package/dist/structure/StructureInfoPane.svelte +0 -434
- package/dist/structure/StructureInfoPane.svelte.d.ts +0 -18
- package/dist/structure/StructureScene.svelte +0 -1574
- package/dist/structure/StructureScene.svelte.d.ts +0 -104
- package/dist/structure/atom-properties.d.ts +0 -37
- package/dist/structure/atom-properties.js +0 -198
- package/dist/structure/bonding.d.ts +0 -33
- package/dist/structure/bonding.js +0 -304
- package/dist/structure/export.d.ts +0 -20
- package/dist/structure/export.js +0 -725
- package/dist/structure/ferrox-wasm-types.d.ts +0 -46
- package/dist/structure/ferrox-wasm-types.js +0 -18
- package/dist/structure/ferrox-wasm.d.ts +0 -94
- package/dist/structure/ferrox-wasm.js +0 -249
- package/dist/structure/index.d.ts +0 -110
- package/dist/structure/index.js +0 -168
- package/dist/structure/measure.d.ts +0 -6
- package/dist/structure/measure.js +0 -29
- package/dist/structure/parse.d.ts +0 -65
- package/dist/structure/parse.js +0 -1374
- package/dist/structure/partial-occupancy.d.ts +0 -25
- package/dist/structure/partial-occupancy.js +0 -99
- package/dist/structure/pbc.d.ts +0 -9
- package/dist/structure/pbc.js +0 -123
- package/dist/structure/supercell.d.ts +0 -8
- package/dist/structure/supercell.js +0 -137
- package/dist/structure/validation.d.ts +0 -2
- package/dist/structure/validation.js +0 -10
- package/dist/symmetry/SymmetryStats.svelte +0 -226
- package/dist/symmetry/SymmetryStats.svelte.d.ts +0 -21
- package/dist/symmetry/WyckoffTable.svelte +0 -113
- package/dist/symmetry/WyckoffTable.svelte.d.ts +0 -11
- package/dist/symmetry/cell-transform.d.ts +0 -12
- package/dist/symmetry/cell-transform.js +0 -77
- package/dist/symmetry/index.d.ts +0 -43
- package/dist/symmetry/index.js +0 -229
- package/dist/symmetry/spacegroups.d.ts +0 -9
- package/dist/symmetry/spacegroups.js +0 -394
- package/dist/table/HeatmapTable.svelte +0 -1854
- package/dist/table/HeatmapTable.svelte.d.ts +0 -49
- package/dist/table/ToggleMenu.svelte +0 -376
- package/dist/table/ToggleMenu.svelte.d.ts +0 -11
- package/dist/table/index.d.ts +0 -74
- package/dist/table/index.js +0 -38
- package/dist/theme/ThemeControl.svelte +0 -53
- package/dist/theme/ThemeControl.svelte.d.ts +0 -9
- package/dist/theme/index.d.ts +0 -29
- package/dist/theme/index.js +0 -79
- package/dist/theme/themes.mjs +0 -285
- package/dist/time.d.ts +0 -4
- package/dist/time.js +0 -70
- package/dist/tooltip/TooltipContent.svelte +0 -58
- package/dist/tooltip/TooltipContent.svelte.d.ts +0 -31
- package/dist/tooltip/index.d.ts +0 -2
- package/dist/tooltip/index.js +0 -2
- package/dist/tooltip/types.d.ts +0 -8
- package/dist/tooltip/types.js +0 -1
- package/dist/trajectory/Trajectory.svelte +0 -1517
- package/dist/trajectory/Trajectory.svelte.d.ts +0 -77
- package/dist/trajectory/TrajectoryError.svelte +0 -128
- package/dist/trajectory/TrajectoryError.svelte.d.ts +0 -13
- package/dist/trajectory/TrajectoryExportPane.svelte +0 -357
- package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +0 -17
- package/dist/trajectory/TrajectoryInfoPane.svelte +0 -387
- package/dist/trajectory/TrajectoryInfoPane.svelte.d.ts +0 -17
- package/dist/trajectory/constants.d.ts +0 -6
- package/dist/trajectory/constants.js +0 -7
- package/dist/trajectory/extract.d.ts +0 -5
- package/dist/trajectory/extract.js +0 -162
- package/dist/trajectory/format-detect.d.ts +0 -9
- package/dist/trajectory/format-detect.js +0 -76
- package/dist/trajectory/frame-reader.d.ts +0 -17
- package/dist/trajectory/frame-reader.js +0 -332
- package/dist/trajectory/helpers.d.ts +0 -14
- package/dist/trajectory/helpers.js +0 -172
- package/dist/trajectory/index.d.ts +0 -63
- package/dist/trajectory/index.js +0 -126
- package/dist/trajectory/parse/ase.d.ts +0 -2
- package/dist/trajectory/parse/ase.js +0 -77
- package/dist/trajectory/parse/hdf5.d.ts +0 -2
- package/dist/trajectory/parse/hdf5.js +0 -129
- package/dist/trajectory/parse/index.d.ts +0 -12
- package/dist/trajectory/parse/index.js +0 -299
- package/dist/trajectory/parse/lammps.d.ts +0 -5
- package/dist/trajectory/parse/lammps.js +0 -179
- package/dist/trajectory/parse/vasp.d.ts +0 -2
- package/dist/trajectory/parse/vasp.js +0 -68
- package/dist/trajectory/parse/xyz.d.ts +0 -2
- package/dist/trajectory/parse/xyz.js +0 -110
- package/dist/trajectory/plotting.d.ts +0 -28
- package/dist/trajectory/plotting.js +0 -423
- package/dist/trajectory/types.d.ts +0 -11
- package/dist/trajectory/types.js +0 -1
- package/dist/utils.d.ts +0 -5
- package/dist/utils.js +0 -36
- package/dist/xrd/XrdPlot.svelte +0 -615
- package/dist/xrd/XrdPlot.svelte.d.ts +0 -28
- package/dist/xrd/broadening.d.ts +0 -20
- package/dist/xrd/broadening.js +0 -97
- package/dist/xrd/calc-xrd.d.ts +0 -37
- package/dist/xrd/calc-xrd.js +0 -337
- package/dist/xrd/index.d.ts +0 -37
- package/dist/xrd/index.js +0 -4
- package/dist/xrd/parse.d.ts +0 -13
- package/dist/xrd/parse.js +0 -749
- /package/dist/{EmptyState.svelte → src/lib/EmptyState.svelte} +0 -0
- /package/dist/{Icon.svelte → src/lib/Icon.svelte} +0 -0
- /package/dist/{chempot-diagram → src/lib/chempot-diagram}/ChemPotScene3D.svelte +0 -0
- /package/dist/{colors → src/lib/colors}/alloy-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/dark-mode-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/jmol-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/muted-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/pastel-colors.json +0 -0
- /package/dist/{colors → src/lib/colors}/vesta-colors.json +0 -0
- /package/dist/{element → src/lib/element}/Nucleus.svelte +0 -0
- /package/dist/{element → src/lib/element}/data.json +0 -0
- /package/dist/{element → src/lib/element}/data.json.gz +0 -0
- /package/dist/{element → src/lib/element}/data.schema.json +0 -0
- /package/dist/{element-image-urls.json → src/lib/element-image-urls.json} +0 -0
- /package/dist/{feedback → src/lib/feedback}/Spinner.svelte +0 -0
- /package/dist/{feedback → src/lib/feedback}/StatusMessage.svelte +0 -0
- /package/dist/{periodic-table → src/lib/periodic-table}/TableInset.svelte +0 -0
- /package/dist/{plot → src/lib/plot}/ReferenceLine.svelte +0 -0
- /package/dist/{xrd → src/lib/xrd}/atomic_scattering_params.json +0 -0
|
@@ -1,798 +0,0 @@
|
|
|
1
|
-
<script lang="ts">
|
|
2
|
-
import { contrast_color, default_element_colors } from '../colors'
|
|
3
|
-
import type { CompositionType } from '../composition'
|
|
4
|
-
import type { ElementSymbol } from '../element'
|
|
5
|
-
import { element_data } from '../element'
|
|
6
|
-
import Icon from '../Icon.svelte'
|
|
7
|
-
import { ELEM_SYMBOLS, format_num } from '../labels'
|
|
8
|
-
import { ColorBar } from '../plot'
|
|
9
|
-
import { SETTINGS_CONFIG } from '../settings'
|
|
10
|
-
import { colors } from '../state.svelte'
|
|
11
|
-
import type { AnyStructure } from './'
|
|
12
|
-
import { atomic_radii } from './'
|
|
13
|
-
import type {
|
|
14
|
-
AtomColorConfig,
|
|
15
|
-
AtomPropertyColors,
|
|
16
|
-
} from './atom-properties'
|
|
17
|
-
import type { MoyoDataset } from '@spglib/moyo-wasm'
|
|
18
|
-
import type { Snippet } from 'svelte'
|
|
19
|
-
import { click_outside, tooltip } from 'svelte-multiselect/attachments'
|
|
20
|
-
import type { HTMLAttributes } from 'svelte/elements'
|
|
21
|
-
import { SvelteMap, SvelteSet } from 'svelte/reactivity'
|
|
22
|
-
|
|
23
|
-
let {
|
|
24
|
-
atom_color_config = $bindable({
|
|
25
|
-
mode: `element`,
|
|
26
|
-
scale: undefined,
|
|
27
|
-
scale_type: `continuous`,
|
|
28
|
-
}),
|
|
29
|
-
property_colors = null,
|
|
30
|
-
elements,
|
|
31
|
-
elem_color_picker_title = `Double click to reset color`,
|
|
32
|
-
labels = $bindable([]),
|
|
33
|
-
amount_format = `.3~f`,
|
|
34
|
-
show_amounts = true,
|
|
35
|
-
get_element_label,
|
|
36
|
-
hidden_elements = $bindable(new SvelteSet()),
|
|
37
|
-
hidden_prop_vals = $bindable(new SvelteSet<number | string>()),
|
|
38
|
-
// Element remapping: maps original element symbols to new ones
|
|
39
|
-
element_mapping = $bindable(),
|
|
40
|
-
// Per-element and per-site radius overrides
|
|
41
|
-
element_radius_overrides = $bindable<Partial<Record<ElementSymbol, number>>>({}),
|
|
42
|
-
site_radius_overrides = $bindable<SvelteMap<number, number>>(new SvelteMap()),
|
|
43
|
-
selected_sites = [] as number[],
|
|
44
|
-
title = ``,
|
|
45
|
-
sym_data = null,
|
|
46
|
-
structure = undefined,
|
|
47
|
-
children,
|
|
48
|
-
...rest
|
|
49
|
-
}: Omit<HTMLAttributes<HTMLDivElement>, `children`> & {
|
|
50
|
-
atom_color_config?: Partial<AtomColorConfig>
|
|
51
|
-
property_colors?: AtomPropertyColors | null
|
|
52
|
-
elements?: CompositionType
|
|
53
|
-
elem_color_picker_title?: string
|
|
54
|
-
labels?: HTMLLabelElement[]
|
|
55
|
-
amount_format?: string // Float formatting for element amounts (default: 3 significant digits)
|
|
56
|
-
show_amounts?: boolean // Whether to show element amounts
|
|
57
|
-
get_element_label?: (element: string, amount: number) => string // Custom label function
|
|
58
|
-
hidden_elements?: Set<ElementSymbol>
|
|
59
|
-
hidden_prop_vals?: Set<number | string> // Track hidden property values (e.g. Wyckoff positions, coordination numbers)
|
|
60
|
-
// Element remapping: maps original element symbols to new ones (e.g. {'H': 'Na', 'He': 'Cl'})
|
|
61
|
-
element_mapping?: Partial<Record<ElementSymbol, ElementSymbol>>
|
|
62
|
-
// Per-element and per-site radius overrides (absolute values in Angstroms)
|
|
63
|
-
element_radius_overrides?: Partial<Record<ElementSymbol, number>>
|
|
64
|
-
site_radius_overrides?: Map<number, number> | SvelteMap<number, number>
|
|
65
|
-
selected_sites?: number[] // Currently selected site indices
|
|
66
|
-
title?: string
|
|
67
|
-
sym_data?: MoyoDataset | null
|
|
68
|
-
structure?: AnyStructure | null
|
|
69
|
-
children?: Snippet<[{ mode_menu_open: boolean; structure?: AnyStructure | null }]>
|
|
70
|
-
} = $props()
|
|
71
|
-
|
|
72
|
-
const titles = {
|
|
73
|
-
coordination: `Coordination`,
|
|
74
|
-
wyckoff: `Wyckoff Position`,
|
|
75
|
-
}
|
|
76
|
-
|
|
77
|
-
let show_element_legend = $derived(
|
|
78
|
-
atom_color_config.mode === `element` && elements &&
|
|
79
|
-
Object.keys(elements).length > 0,
|
|
80
|
-
)
|
|
81
|
-
let show_property_legend = $derived(
|
|
82
|
-
atom_color_config.mode !== `element` && property_colors?.colors.length,
|
|
83
|
-
)
|
|
84
|
-
let legend_title = $derived(
|
|
85
|
-
title || titles[atom_color_config.mode as keyof typeof titles] || ``,
|
|
86
|
-
)
|
|
87
|
-
|
|
88
|
-
// Dropdown state
|
|
89
|
-
let mode_menu_open = $state(false)
|
|
90
|
-
|
|
91
|
-
// Clear hidden property values when switching modes (since they may not be valid)
|
|
92
|
-
let previous_mode = $state(atom_color_config.mode)
|
|
93
|
-
$effect(() => {
|
|
94
|
-
if (atom_color_config.mode !== previous_mode) {
|
|
95
|
-
hidden_prop_vals.clear()
|
|
96
|
-
previous_mode = atom_color_config.mode
|
|
97
|
-
}
|
|
98
|
-
})
|
|
99
|
-
|
|
100
|
-
// Normalize incoming Map to SvelteMap at boundary for reactivity
|
|
101
|
-
// This preserves identity for bindings while ensuring SvelteMap methods work
|
|
102
|
-
$effect(() => {
|
|
103
|
-
if (site_radius_overrides && !(site_radius_overrides instanceof SvelteMap)) {
|
|
104
|
-
site_radius_overrides = new SvelteMap(site_radius_overrides)
|
|
105
|
-
}
|
|
106
|
-
})
|
|
107
|
-
// Format display values based on mode
|
|
108
|
-
let format_value = (val: number | string): string => {
|
|
109
|
-
if (typeof val === `number`) return format_num(val, `.3~f`)
|
|
110
|
-
|
|
111
|
-
if (typeof val === `string` && val.includes(`|`)) { // Format Wyckoff orbit IDs
|
|
112
|
-
const [wyckoff, element] = val.split(`|`, 2)
|
|
113
|
-
// Count how many sites have this wyckoff+element combination
|
|
114
|
-
const count = property_colors?.values.filter((v) => v === val).length ?? 0
|
|
115
|
-
return `${element}:${count}${wyckoff}`
|
|
116
|
-
}
|
|
117
|
-
return String(val)
|
|
118
|
-
}
|
|
119
|
-
|
|
120
|
-
// Map from property value to color (computed once, reused in categorical legend)
|
|
121
|
-
let color_map = $derived(
|
|
122
|
-
new Map(
|
|
123
|
-
// Use unique_values instead of values to avoid undefined colors from duplicates
|
|
124
|
-
property_colors?.unique_values?.flatMap((val) => {
|
|
125
|
-
const idx = property_colors.values.indexOf(val)
|
|
126
|
-
return idx >= 0 ? [[val, property_colors.colors[idx]]] : []
|
|
127
|
-
}) ?? [],
|
|
128
|
-
),
|
|
129
|
-
)
|
|
130
|
-
|
|
131
|
-
function toggle_visibility<T>(
|
|
132
|
-
set: Set<T>,
|
|
133
|
-
value: T,
|
|
134
|
-
event: MouseEvent,
|
|
135
|
-
): Set<T> {
|
|
136
|
-
event.preventDefault()
|
|
137
|
-
event.stopPropagation()
|
|
138
|
-
const new_set = new SvelteSet(set)
|
|
139
|
-
if (new_set.has(value)) new_set.delete(value)
|
|
140
|
-
else new_set.add(value)
|
|
141
|
-
return new_set
|
|
142
|
-
}
|
|
143
|
-
|
|
144
|
-
// Element remapping state
|
|
145
|
-
let remap_menu_open = $state<ElementSymbol | null>(null)
|
|
146
|
-
let remap_search = $state(``)
|
|
147
|
-
|
|
148
|
-
// Filtered elements based on search
|
|
149
|
-
let filtered_elements = $derived.by(() => {
|
|
150
|
-
if (!remap_search) return ELEM_SYMBOLS
|
|
151
|
-
const query = remap_search.toLowerCase()
|
|
152
|
-
return ELEM_SYMBOLS.filter((elem) => {
|
|
153
|
-
const data = element_data?.find((el) => el.symbol === elem)
|
|
154
|
-
return elem.toLowerCase().includes(query) ||
|
|
155
|
-
data?.name?.toLowerCase().includes(query)
|
|
156
|
-
})
|
|
157
|
-
})
|
|
158
|
-
|
|
159
|
-
const known_element_symbols = new Set(ELEM_SYMBOLS)
|
|
160
|
-
let sorted_element_entries = $derived.by(() => {
|
|
161
|
-
if (!elements) return []
|
|
162
|
-
const element_amounts = elements as Record<string, number>
|
|
163
|
-
const ordered_known_entries = ELEM_SYMBOLS
|
|
164
|
-
.flatMap((element_symbol) => {
|
|
165
|
-
const amount = element_amounts[element_symbol]
|
|
166
|
-
return amount === undefined ? [] : [[element_symbol, amount] as const]
|
|
167
|
-
})
|
|
168
|
-
const unknown_entries = Object.entries(element_amounts)
|
|
169
|
-
.filter(([element_symbol]) =>
|
|
170
|
-
!known_element_symbols.has(element_symbol as ElementSymbol)
|
|
171
|
-
)
|
|
172
|
-
.sort(([element_a], [element_b]) => element_a.localeCompare(element_b))
|
|
173
|
-
return [...ordered_known_entries, ...unknown_entries]
|
|
174
|
-
})
|
|
175
|
-
|
|
176
|
-
function remap_element(from: ElementSymbol, to: ElementSymbol) {
|
|
177
|
-
if (from === to && element_mapping?.[from]) {
|
|
178
|
-
// Remove mapping if mapping back to original element
|
|
179
|
-
const { [from]: _, ...rest } = element_mapping
|
|
180
|
-
element_mapping = Object.keys(rest).length > 0 ? rest : undefined
|
|
181
|
-
} else if (from !== to) {
|
|
182
|
-
element_mapping = { ...element_mapping, [from]: to }
|
|
183
|
-
}
|
|
184
|
-
remap_menu_open = null
|
|
185
|
-
remap_search = ``
|
|
186
|
-
}
|
|
187
|
-
|
|
188
|
-
// Radius bounds (Angstroms) - max accommodates largest atomic radii (~2.6Å for Cs)
|
|
189
|
-
const MIN_RADIUS = 0.1
|
|
190
|
-
const MAX_RADIUS = 5
|
|
191
|
-
|
|
192
|
-
const parse_radius = (value: string): number | null => {
|
|
193
|
-
const num = parseFloat(value)
|
|
194
|
-
return !isNaN(num) && num >= MIN_RADIUS && num <= MAX_RADIUS ? num : null
|
|
195
|
-
}
|
|
196
|
-
|
|
197
|
-
function update_element_radius(elem: ElementSymbol, value: string) {
|
|
198
|
-
const radius = parse_radius(value)
|
|
199
|
-
if (radius !== null) {
|
|
200
|
-
element_radius_overrides = { ...element_radius_overrides, [elem]: radius }
|
|
201
|
-
}
|
|
202
|
-
}
|
|
203
|
-
|
|
204
|
-
function clear_element_radius(elem: ElementSymbol) {
|
|
205
|
-
const { [elem]: _, ...rest } = element_radius_overrides ?? {}
|
|
206
|
-
element_radius_overrides = rest
|
|
207
|
-
}
|
|
208
|
-
|
|
209
|
-
const get_element_radius = (elem: ElementSymbol): number =>
|
|
210
|
-
element_radius_overrides?.[elem] ?? atomic_radii[elem] ?? 1
|
|
211
|
-
|
|
212
|
-
// Mutate in-place to preserve map identity for bindings (aligns with Structure.svelte pattern)
|
|
213
|
-
function update_site_radius(site_idx: number, value: string) {
|
|
214
|
-
const radius = parse_radius(value)
|
|
215
|
-
if (radius === null) return
|
|
216
|
-
site_radius_overrides?.set(site_idx, radius)
|
|
217
|
-
}
|
|
218
|
-
|
|
219
|
-
function clear_site_radius(site_idx: number) {
|
|
220
|
-
site_radius_overrides?.delete(site_idx)
|
|
221
|
-
}
|
|
222
|
-
|
|
223
|
-
const get_site_radius = (site_idx: number): number => {
|
|
224
|
-
const override = site_radius_overrides?.get(site_idx)
|
|
225
|
-
if (override !== undefined) return override
|
|
226
|
-
const element = structure?.sites?.[site_idx]?.species[0]?.element as
|
|
227
|
-
| ElementSymbol
|
|
228
|
-
| undefined
|
|
229
|
-
return element ? get_element_radius(element) : 1
|
|
230
|
-
}
|
|
231
|
-
</script>
|
|
232
|
-
|
|
233
|
-
{#snippet mode_selector_snippet()}
|
|
234
|
-
<div
|
|
235
|
-
class="mode-selector"
|
|
236
|
-
{@attach click_outside({ callback: () => mode_menu_open = false })}
|
|
237
|
-
>
|
|
238
|
-
<button
|
|
239
|
-
class="mode-toggle"
|
|
240
|
-
onclick={() => (mode_menu_open = !mode_menu_open)}
|
|
241
|
-
title="Change atom coloring mode"
|
|
242
|
-
aria-expanded={mode_menu_open}
|
|
243
|
-
{@attach tooltip()}
|
|
244
|
-
>
|
|
245
|
-
<Icon icon={mode_menu_open ? `Collapse` : `Expand`} />
|
|
246
|
-
</button>
|
|
247
|
-
{#if mode_menu_open}
|
|
248
|
-
<div class="mode-dropdown">
|
|
249
|
-
{#each Object.entries(SETTINGS_CONFIG.structure.atom_color_mode.enum || {}) as
|
|
250
|
-
[value, label]
|
|
251
|
-
(value)
|
|
252
|
-
}
|
|
253
|
-
<button
|
|
254
|
-
class="mode-option"
|
|
255
|
-
class:selected={atom_color_config.mode === value}
|
|
256
|
-
class:disabled={value === `wyckoff` && !sym_data}
|
|
257
|
-
disabled={value === `wyckoff` && !sym_data}
|
|
258
|
-
onclick={() => {
|
|
259
|
-
atom_color_config.mode = value as AtomColorConfig[`mode`]
|
|
260
|
-
if (atom_color_config.mode === `wyckoff`) {
|
|
261
|
-
atom_color_config.scale_type = `categorical`
|
|
262
|
-
} else if (atom_color_config.mode === `coordination`) {
|
|
263
|
-
atom_color_config.scale_type = `continuous`
|
|
264
|
-
}
|
|
265
|
-
mode_menu_open = false
|
|
266
|
-
}}
|
|
267
|
-
>
|
|
268
|
-
<span>{titles[value as keyof typeof titles] || label}</span>
|
|
269
|
-
</button>
|
|
270
|
-
{/each}
|
|
271
|
-
</div>
|
|
272
|
-
{/if}
|
|
273
|
-
</div>
|
|
274
|
-
{/snippet}
|
|
275
|
-
|
|
276
|
-
{#snippet site_radius_control_snippet()}
|
|
277
|
-
{#if selected_sites.length === 1}
|
|
278
|
-
{@const site_idx = selected_sites[0]}
|
|
279
|
-
{@const site = structure?.sites?.[site_idx]}
|
|
280
|
-
{#if site}
|
|
281
|
-
{@const main_elem = site.species[0]?.element ?? `?`}
|
|
282
|
-
<div class="site-radius-control">
|
|
283
|
-
<label
|
|
284
|
-
title="Radius for selected site {site_idx}"
|
|
285
|
-
{@attach tooltip({ placement: `top` })}
|
|
286
|
-
>
|
|
287
|
-
<span class="site-label">{main_elem}{site_idx}</span>
|
|
288
|
-
<input
|
|
289
|
-
type="number"
|
|
290
|
-
min={MIN_RADIUS}
|
|
291
|
-
max={MAX_RADIUS}
|
|
292
|
-
step={0.05}
|
|
293
|
-
value={get_site_radius(site_idx)}
|
|
294
|
-
oninput={(event) => {
|
|
295
|
-
if (event.target instanceof HTMLInputElement) {
|
|
296
|
-
update_site_radius(site_idx, event.target.value)
|
|
297
|
-
}
|
|
298
|
-
}}
|
|
299
|
-
/>
|
|
300
|
-
<span class="unit">Å</span>
|
|
301
|
-
</label>
|
|
302
|
-
{#if site_radius_overrides?.has(site_idx)}
|
|
303
|
-
<button
|
|
304
|
-
class="reset-btn"
|
|
305
|
-
onclick={() => clear_site_radius(site_idx)}
|
|
306
|
-
title="Reset to element default"
|
|
307
|
-
{@attach tooltip({ placement: `top` })}
|
|
308
|
-
>
|
|
309
|
-
↺
|
|
310
|
-
</button>
|
|
311
|
-
{/if}
|
|
312
|
-
</div>
|
|
313
|
-
{/if}
|
|
314
|
-
{/if}
|
|
315
|
-
{/snippet}
|
|
316
|
-
|
|
317
|
-
{#if show_element_legend}
|
|
318
|
-
<div {...rest} class="atom-legend element-legend {rest.class ?? ``}">
|
|
319
|
-
{#each sorted_element_entries as [elem, amt], idx (elem)}
|
|
320
|
-
{@const is_hidden = hidden_elements.has(elem as ElementSymbol)}
|
|
321
|
-
{@const displayed_elem = element_mapping?.[elem as ElementSymbol] || elem}
|
|
322
|
-
<div class="legend-item">
|
|
323
|
-
<label
|
|
324
|
-
bind:this={labels[idx]}
|
|
325
|
-
title="{element_data?.find((el) => el.symbol === displayed_elem)?.name ?? ``}{displayed_elem !== elem ? ` (remapped from ${elem})` : ``}"
|
|
326
|
-
{@attach tooltip()}
|
|
327
|
-
style:background-color={colors.element[displayed_elem]}
|
|
328
|
-
class:hidden={is_hidden}
|
|
329
|
-
class:remapped={displayed_elem !== elem}
|
|
330
|
-
ondblclick={(event) => {
|
|
331
|
-
event.preventDefault()
|
|
332
|
-
colors.element[displayed_elem] = default_element_colors[displayed_elem]
|
|
333
|
-
}}
|
|
334
|
-
oncontextmenu={(event) => {
|
|
335
|
-
event.preventDefault()
|
|
336
|
-
remap_menu_open = remap_menu_open === elem ? null : (elem as ElementSymbol)
|
|
337
|
-
remap_search = ``
|
|
338
|
-
}}
|
|
339
|
-
{@attach contrast_color()}
|
|
340
|
-
>
|
|
341
|
-
{#if get_element_label}
|
|
342
|
-
{get_element_label(displayed_elem, amt)}
|
|
343
|
-
{:else}
|
|
344
|
-
{displayed_elem}
|
|
345
|
-
{#if show_amounts}
|
|
346
|
-
<sub>{format_num(amt, amount_format)}</sub>
|
|
347
|
-
{/if}
|
|
348
|
-
{/if}
|
|
349
|
-
<input
|
|
350
|
-
type="color"
|
|
351
|
-
bind:value={colors.element[elem]}
|
|
352
|
-
title={elem_color_picker_title}
|
|
353
|
-
/>
|
|
354
|
-
</label>
|
|
355
|
-
<button
|
|
356
|
-
class="toggle-visibility"
|
|
357
|
-
class:element-hidden={is_hidden}
|
|
358
|
-
onclick={(
|
|
359
|
-
event,
|
|
360
|
-
) => (hidden_elements = toggle_visibility(
|
|
361
|
-
hidden_elements,
|
|
362
|
-
elem as ElementSymbol,
|
|
363
|
-
event,
|
|
364
|
-
))}
|
|
365
|
-
title={is_hidden ? `Show ${elem} atoms` : `Hide ${elem} atoms`}
|
|
366
|
-
{@attach tooltip({ placement: `top` })}
|
|
367
|
-
type="button"
|
|
368
|
-
>
|
|
369
|
-
×
|
|
370
|
-
</button>
|
|
371
|
-
{#if remap_menu_open === elem}
|
|
372
|
-
<div
|
|
373
|
-
class="remap-dropdown"
|
|
374
|
-
{@attach click_outside({
|
|
375
|
-
callback: () => {
|
|
376
|
-
remap_menu_open = null
|
|
377
|
-
remap_search = ``
|
|
378
|
-
},
|
|
379
|
-
})}
|
|
380
|
-
>
|
|
381
|
-
<div class="radius-control">
|
|
382
|
-
<label
|
|
383
|
-
title={displayed_elem !== elem
|
|
384
|
-
? `Radius for ${elem} atoms (displayed as ${displayed_elem})`
|
|
385
|
-
: `Radius for ${elem} atoms`}
|
|
386
|
-
{@attach tooltip({ placement: `top` })}
|
|
387
|
-
>
|
|
388
|
-
<span>Radius ({elem})</span>
|
|
389
|
-
<input
|
|
390
|
-
type="number"
|
|
391
|
-
min={MIN_RADIUS}
|
|
392
|
-
max={MAX_RADIUS}
|
|
393
|
-
step={0.05}
|
|
394
|
-
value={get_element_radius(elem as ElementSymbol)}
|
|
395
|
-
oninput={(event) => {
|
|
396
|
-
if (event.target instanceof HTMLInputElement) {
|
|
397
|
-
update_element_radius(
|
|
398
|
-
elem as ElementSymbol,
|
|
399
|
-
event.target.value,
|
|
400
|
-
)
|
|
401
|
-
}
|
|
402
|
-
}}
|
|
403
|
-
/>
|
|
404
|
-
<span class="unit">Å</span>
|
|
405
|
-
</label>
|
|
406
|
-
{#if element_radius_overrides?.[elem as ElementSymbol] !== undefined}
|
|
407
|
-
<button
|
|
408
|
-
class="reset-btn"
|
|
409
|
-
onclick={() => clear_element_radius(elem as ElementSymbol)}
|
|
410
|
-
title="Reset to default radius"
|
|
411
|
-
{@attach tooltip({ placement: `top` })}
|
|
412
|
-
>
|
|
413
|
-
↺
|
|
414
|
-
</button>
|
|
415
|
-
{/if}
|
|
416
|
-
</div>
|
|
417
|
-
<input
|
|
418
|
-
type="text"
|
|
419
|
-
class="remap-search"
|
|
420
|
-
placeholder="Search elements..."
|
|
421
|
-
bind:value={remap_search}
|
|
422
|
-
onkeydown={(event) => {
|
|
423
|
-
if (event.key === `Escape`) {
|
|
424
|
-
remap_menu_open = null
|
|
425
|
-
remap_search = ``
|
|
426
|
-
} else if (event.key === `Enter` && filtered_elements.length > 0) {
|
|
427
|
-
remap_element(elem as ElementSymbol, filtered_elements[0])
|
|
428
|
-
}
|
|
429
|
-
}}
|
|
430
|
-
/>
|
|
431
|
-
<div class="remap-options">
|
|
432
|
-
{#if displayed_elem !== elem}
|
|
433
|
-
<button
|
|
434
|
-
class="remap-option reset"
|
|
435
|
-
onclick={() => remap_element(elem as ElementSymbol, elem as ElementSymbol)}
|
|
436
|
-
>
|
|
437
|
-
<span>Reset to {elem}</span>
|
|
438
|
-
</button>
|
|
439
|
-
{/if}
|
|
440
|
-
{#each filtered_elements as target_elem (target_elem)}
|
|
441
|
-
{@const elem_info = element_data?.find((el) => el.symbol === target_elem)}
|
|
442
|
-
<button
|
|
443
|
-
class="remap-option"
|
|
444
|
-
class:selected={displayed_elem === target_elem}
|
|
445
|
-
onclick={() => remap_element(elem as ElementSymbol, target_elem)}
|
|
446
|
-
style:background-color={colors.element[target_elem]}
|
|
447
|
-
{@attach contrast_color()}
|
|
448
|
-
>
|
|
449
|
-
<small style="opacity: 0.6">{elem_info?.number}</small>
|
|
450
|
-
<b>{target_elem}</b>
|
|
451
|
-
{elem_info?.name}
|
|
452
|
-
</button>
|
|
453
|
-
{/each}
|
|
454
|
-
</div>
|
|
455
|
-
</div>
|
|
456
|
-
{/if}
|
|
457
|
-
</div>
|
|
458
|
-
{/each}
|
|
459
|
-
{@render site_radius_control_snippet()}
|
|
460
|
-
{@render mode_selector_snippet()}
|
|
461
|
-
{@render children?.({ mode_menu_open, structure })}
|
|
462
|
-
</div>
|
|
463
|
-
{:else if show_property_legend}
|
|
464
|
-
<div
|
|
465
|
-
class="atom-legend property-legend atom-color-legend"
|
|
466
|
-
class:categorical-legend={atom_color_config.scale_type === `categorical`}
|
|
467
|
-
{...rest}
|
|
468
|
-
>
|
|
469
|
-
{#if legend_title}
|
|
470
|
-
<div class="legend-header">
|
|
471
|
-
<h4>{legend_title}</h4>
|
|
472
|
-
</div>
|
|
473
|
-
{/if}
|
|
474
|
-
{#if atom_color_config.scale_type === `continuous` && property_colors}
|
|
475
|
-
<div
|
|
476
|
-
title={legend_title}
|
|
477
|
-
{@attach tooltip({ placement: `top` })}
|
|
478
|
-
>
|
|
479
|
-
<ColorBar
|
|
480
|
-
color_scale={atom_color_config.scale}
|
|
481
|
-
range={[property_colors.min_value ?? 0, property_colors.max_value ?? 0]}
|
|
482
|
-
tick_labels={Array.from(
|
|
483
|
-
new Set([property_colors.min_value ?? 0, property_colors.max_value ?? 0]),
|
|
484
|
-
)}
|
|
485
|
-
tick_side="secondary"
|
|
486
|
-
bar_style="height: 10px; width: 100px;"
|
|
487
|
-
wrapper_style="padding: 0; gap: 2px;"
|
|
488
|
-
style="margin-top: 0"
|
|
489
|
-
tick_format=".3~f"
|
|
490
|
-
/>
|
|
491
|
-
</div>
|
|
492
|
-
{:else if atom_color_config.scale_type === `categorical` && property_colors}
|
|
493
|
-
{#each property_colors.unique_values || [] as
|
|
494
|
-
value
|
|
495
|
-
(`${atom_color_config.mode}-${value}`)
|
|
496
|
-
}
|
|
497
|
-
{@const color = color_map.get(value)}
|
|
498
|
-
{@const is_hidden = hidden_prop_vals.has(value)}
|
|
499
|
-
<div class="legend-item">
|
|
500
|
-
<span
|
|
501
|
-
class="category-label color-swatch"
|
|
502
|
-
class:hidden={is_hidden}
|
|
503
|
-
style:background-color={color}
|
|
504
|
-
{@attach contrast_color()}
|
|
505
|
-
>
|
|
506
|
-
{format_value(value)}
|
|
507
|
-
</span>
|
|
508
|
-
<button
|
|
509
|
-
class="toggle-visibility"
|
|
510
|
-
class:element-hidden={is_hidden}
|
|
511
|
-
onclick={(
|
|
512
|
-
event,
|
|
513
|
-
) => (hidden_prop_vals = toggle_visibility(
|
|
514
|
-
hidden_prop_vals,
|
|
515
|
-
value,
|
|
516
|
-
event,
|
|
517
|
-
))}
|
|
518
|
-
title={is_hidden ? `Show ${format_value(value)}` : `Hide ${format_value(value)}`}
|
|
519
|
-
{@attach tooltip({ placement: `top` })}
|
|
520
|
-
type="button"
|
|
521
|
-
>
|
|
522
|
-
×
|
|
523
|
-
</button>
|
|
524
|
-
</div>
|
|
525
|
-
{/each}
|
|
526
|
-
{/if}
|
|
527
|
-
{@render site_radius_control_snippet()}
|
|
528
|
-
{@render mode_selector_snippet()}
|
|
529
|
-
{@render children?.({ mode_menu_open, structure })}
|
|
530
|
-
</div>
|
|
531
|
-
{/if}
|
|
532
|
-
|
|
533
|
-
<style>
|
|
534
|
-
.atom-legend {
|
|
535
|
-
position: absolute;
|
|
536
|
-
z-index: var(--legend-z-index, 1);
|
|
537
|
-
pointer-events: auto;
|
|
538
|
-
visibility: visible;
|
|
539
|
-
filter: var(--legend-filter, grayscale(10%) brightness(0.95) saturate(0.8));
|
|
540
|
-
display: flex;
|
|
541
|
-
align-items: center;
|
|
542
|
-
bottom: var(--struct-legend-bottom, clamp(4pt, 3cqmin, 8pt));
|
|
543
|
-
right: var(--struct-legend-right, clamp(4pt, 3cqmin, 8pt));
|
|
544
|
-
gap: var(--struct-legend-gap, clamp(3pt, 2cqmin, 7pt));
|
|
545
|
-
}
|
|
546
|
-
.element-legend {
|
|
547
|
-
font-size: var(--struct-legend-font, clamp(7pt, 2.5cqmin, 12pt));
|
|
548
|
-
}
|
|
549
|
-
.atom-legend .legend-item {
|
|
550
|
-
position: relative;
|
|
551
|
-
display: inline-block;
|
|
552
|
-
}
|
|
553
|
-
.element-legend label {
|
|
554
|
-
padding: var(--struct-legend-padding, 0 4pt);
|
|
555
|
-
border-radius: var(--struct-legend-radius, var(--border-radius, 3pt));
|
|
556
|
-
line-height: var(--struct-legend-line-height, 1.3);
|
|
557
|
-
display: inline-block;
|
|
558
|
-
cursor: pointer;
|
|
559
|
-
visibility: visible;
|
|
560
|
-
white-space: nowrap;
|
|
561
|
-
transition: opacity 0.2s ease;
|
|
562
|
-
}
|
|
563
|
-
.element-legend label.hidden {
|
|
564
|
-
opacity: 0.4;
|
|
565
|
-
}
|
|
566
|
-
.element-legend label input[type='color'] {
|
|
567
|
-
z-index: var(--struct-legend-input-z, 1);
|
|
568
|
-
opacity: 0;
|
|
569
|
-
position: absolute;
|
|
570
|
-
visibility: hidden;
|
|
571
|
-
top: 7pt;
|
|
572
|
-
left: 0;
|
|
573
|
-
}
|
|
574
|
-
/* Toggle visibility button - shared between element and property legends */
|
|
575
|
-
.atom-legend button.toggle-visibility {
|
|
576
|
-
position: absolute;
|
|
577
|
-
top: -3px;
|
|
578
|
-
right: -7px;
|
|
579
|
-
width: 1em;
|
|
580
|
-
height: 1em;
|
|
581
|
-
padding: 0;
|
|
582
|
-
margin: 0;
|
|
583
|
-
border: none;
|
|
584
|
-
background: light-dark(rgba(0, 0, 0, 0.5), rgba(255, 255, 255, 0.5));
|
|
585
|
-
color: light-dark(white, black);
|
|
586
|
-
border-radius: 50%;
|
|
587
|
-
font-size: 0.9em;
|
|
588
|
-
line-height: 1;
|
|
589
|
-
cursor: pointer;
|
|
590
|
-
display: grid;
|
|
591
|
-
place-items: center;
|
|
592
|
-
opacity: 0;
|
|
593
|
-
transition: opacity 0.2s ease, background 0.2s ease, transform 0.1s ease;
|
|
594
|
-
z-index: 2;
|
|
595
|
-
pointer-events: auto;
|
|
596
|
-
}
|
|
597
|
-
.atom-legend button.toggle-visibility.element-hidden,
|
|
598
|
-
.atom-legend .legend-item:hover button.toggle-visibility {
|
|
599
|
-
opacity: 1;
|
|
600
|
-
}
|
|
601
|
-
.atom-legend button.toggle-visibility:hover {
|
|
602
|
-
background: light-dark(rgba(0, 0, 0, 0.8), rgba(255, 255, 255, 0.8));
|
|
603
|
-
transform: scale(1.15);
|
|
604
|
-
}
|
|
605
|
-
.element-legend sub {
|
|
606
|
-
font-size: 0.85em;
|
|
607
|
-
margin: 0 0 0 -2pt;
|
|
608
|
-
}
|
|
609
|
-
.element-legend label.remapped {
|
|
610
|
-
outline: 2px dashed var(--accent-color, #4a90d9);
|
|
611
|
-
outline-offset: 1px;
|
|
612
|
-
}
|
|
613
|
-
.remap-dropdown {
|
|
614
|
-
position: absolute;
|
|
615
|
-
bottom: 100%;
|
|
616
|
-
left: 50%;
|
|
617
|
-
transform: translateX(-50%);
|
|
618
|
-
margin-bottom: 0.4rem;
|
|
619
|
-
background: var(--surface-bg);
|
|
620
|
-
border-radius: var(--border-radius, 3pt);
|
|
621
|
-
box-shadow: 0 4px 8px rgba(0, 0, 0, 0.25);
|
|
622
|
-
}
|
|
623
|
-
.remap-search {
|
|
624
|
-
width: 100%;
|
|
625
|
-
padding: 0.25rem 0.4rem;
|
|
626
|
-
border: none;
|
|
627
|
-
box-sizing: border-box;
|
|
628
|
-
}
|
|
629
|
-
.remap-search:focus {
|
|
630
|
-
outline: none;
|
|
631
|
-
}
|
|
632
|
-
.remap-options {
|
|
633
|
-
max-height: 250px;
|
|
634
|
-
overflow-y: auto;
|
|
635
|
-
}
|
|
636
|
-
.remap-option {
|
|
637
|
-
display: flex;
|
|
638
|
-
gap: 3pt;
|
|
639
|
-
place-items: center;
|
|
640
|
-
width: 100%;
|
|
641
|
-
border-radius: 0;
|
|
642
|
-
}
|
|
643
|
-
.remap-option:hover {
|
|
644
|
-
filter: brightness(1.1);
|
|
645
|
-
}
|
|
646
|
-
.remap-option.selected {
|
|
647
|
-
outline: 2px solid var(--accent-color);
|
|
648
|
-
outline-offset: -2px;
|
|
649
|
-
}
|
|
650
|
-
.remap-option.reset {
|
|
651
|
-
background: var(--surface-bg-hover, rgba(128, 128, 128, 0.1));
|
|
652
|
-
font-style: italic;
|
|
653
|
-
}
|
|
654
|
-
|
|
655
|
-
/* Radius Control Styles */
|
|
656
|
-
:is(.radius-control, .site-radius-control) {
|
|
657
|
-
display: flex;
|
|
658
|
-
align-items: center;
|
|
659
|
-
gap: 4pt;
|
|
660
|
-
padding: 0.3rem 0.4rem;
|
|
661
|
-
border-bottom: 1px solid light-dark(rgba(0, 0, 0, 0.1), rgba(255, 255, 255, 0.1));
|
|
662
|
-
|
|
663
|
-
& label {
|
|
664
|
-
display: flex;
|
|
665
|
-
align-items: center;
|
|
666
|
-
gap: 4pt;
|
|
667
|
-
font-size: 0.85em;
|
|
668
|
-
white-space: nowrap;
|
|
669
|
-
}
|
|
670
|
-
& input[type='number'] {
|
|
671
|
-
width: 3.5em;
|
|
672
|
-
padding: 2pt 4pt;
|
|
673
|
-
border: 1px solid light-dark(rgba(0, 0, 0, 0.2), rgba(255, 255, 255, 0.2));
|
|
674
|
-
border-radius: var(--border-radius, 3pt);
|
|
675
|
-
font-size: 0.9em;
|
|
676
|
-
text-align: center;
|
|
677
|
-
box-sizing: border-box;
|
|
678
|
-
&:focus {
|
|
679
|
-
outline: 1px solid var(--accent-color, #4a90d9);
|
|
680
|
-
}
|
|
681
|
-
}
|
|
682
|
-
& .unit {
|
|
683
|
-
font-size: 0.8em;
|
|
684
|
-
opacity: 0.7;
|
|
685
|
-
}
|
|
686
|
-
& .reset-btn {
|
|
687
|
-
background: transparent;
|
|
688
|
-
border: none;
|
|
689
|
-
padding: 2pt 4pt;
|
|
690
|
-
cursor: pointer;
|
|
691
|
-
font-size: 0.9em;
|
|
692
|
-
opacity: 0.6;
|
|
693
|
-
transition: opacity 0.15s ease;
|
|
694
|
-
&:hover {
|
|
695
|
-
opacity: 1;
|
|
696
|
-
}
|
|
697
|
-
}
|
|
698
|
-
}
|
|
699
|
-
.site-radius-control {
|
|
700
|
-
border-bottom: none;
|
|
701
|
-
padding: 0.2rem 0.4rem;
|
|
702
|
-
background: light-dark(rgba(0, 0, 0, 0.05), rgba(255, 255, 255, 0.05));
|
|
703
|
-
border-radius: var(--border-radius, 3pt);
|
|
704
|
-
& .site-label {
|
|
705
|
-
font-weight: 500;
|
|
706
|
-
min-width: 2em;
|
|
707
|
-
}
|
|
708
|
-
}
|
|
709
|
-
|
|
710
|
-
/* Property Legend Styles */
|
|
711
|
-
.property-legend {
|
|
712
|
-
font-size: var(--struct-legend-font, clamp(8pt, 3cqmin, 14pt));
|
|
713
|
-
}
|
|
714
|
-
.mode-selector {
|
|
715
|
-
position: relative;
|
|
716
|
-
display: flex;
|
|
717
|
-
align-items: center;
|
|
718
|
-
}
|
|
719
|
-
.mode-toggle {
|
|
720
|
-
background: transparent;
|
|
721
|
-
border: none;
|
|
722
|
-
padding: 0;
|
|
723
|
-
cursor: pointer;
|
|
724
|
-
display: flex;
|
|
725
|
-
align-items: center;
|
|
726
|
-
font-size: 0.9em;
|
|
727
|
-
opacity: 0.7;
|
|
728
|
-
transition: opacity 0.2s ease;
|
|
729
|
-
}
|
|
730
|
-
.mode-toggle:hover {
|
|
731
|
-
opacity: 1;
|
|
732
|
-
}
|
|
733
|
-
.mode-dropdown {
|
|
734
|
-
position: absolute;
|
|
735
|
-
bottom: 100%;
|
|
736
|
-
right: 0;
|
|
737
|
-
margin-bottom: 0.25rem;
|
|
738
|
-
background: var(--surface-bg);
|
|
739
|
-
border-radius: var(--border-radius, 3pt);
|
|
740
|
-
box-shadow: 0 8px 16px -4px rgba(0, 0, 0, 0.3), 0 4px 8px -2px rgba(0, 0, 0, 0.1);
|
|
741
|
-
display: flex;
|
|
742
|
-
flex-direction: column;
|
|
743
|
-
z-index: 10;
|
|
744
|
-
min-width: 150px;
|
|
745
|
-
}
|
|
746
|
-
.mode-option {
|
|
747
|
-
display: flex;
|
|
748
|
-
align-items: center;
|
|
749
|
-
width: 100%;
|
|
750
|
-
padding: 0.4rem 0.6rem;
|
|
751
|
-
box-sizing: border-box;
|
|
752
|
-
background: transparent;
|
|
753
|
-
border: none;
|
|
754
|
-
border-radius: 0;
|
|
755
|
-
text-align: left;
|
|
756
|
-
cursor: pointer;
|
|
757
|
-
transition: background-color 0.15s ease;
|
|
758
|
-
font-size: 0.85rem;
|
|
759
|
-
}
|
|
760
|
-
.mode-option:first-child {
|
|
761
|
-
border-top-left-radius: var(--border-radius, 3pt);
|
|
762
|
-
border-top-right-radius: var(--border-radius, 3pt);
|
|
763
|
-
}
|
|
764
|
-
.mode-option:last-child {
|
|
765
|
-
border-bottom-left-radius: var(--border-radius, 3pt);
|
|
766
|
-
border-bottom-right-radius: var(--border-radius, 3pt);
|
|
767
|
-
}
|
|
768
|
-
.mode-option:hover:not(.disabled) {
|
|
769
|
-
background: var(--pane-btn-bg-hover, rgba(128, 128, 128, 0.1));
|
|
770
|
-
}
|
|
771
|
-
.mode-option.selected {
|
|
772
|
-
color: var(--accent-color);
|
|
773
|
-
font-weight: 500;
|
|
774
|
-
}
|
|
775
|
-
.mode-option.disabled {
|
|
776
|
-
opacity: 0.5;
|
|
777
|
-
cursor: not-allowed;
|
|
778
|
-
}
|
|
779
|
-
.mode-option span {
|
|
780
|
-
white-space: nowrap;
|
|
781
|
-
}
|
|
782
|
-
.category-label {
|
|
783
|
-
padding: var(--struct-legend-padding, 0 4pt);
|
|
784
|
-
border-radius: var(--struct-legend-radius, var(--border-radius, 3pt));
|
|
785
|
-
line-height: var(--struct-legend-line-height, 1.3);
|
|
786
|
-
display: inline-block;
|
|
787
|
-
white-space: nowrap;
|
|
788
|
-
transition: opacity 0.2s ease;
|
|
789
|
-
}
|
|
790
|
-
.category-label.hidden {
|
|
791
|
-
opacity: 0.4;
|
|
792
|
-
}
|
|
793
|
-
.legend-header h4 {
|
|
794
|
-
margin: 0;
|
|
795
|
-
font-size: 1em;
|
|
796
|
-
font-weight: 600;
|
|
797
|
-
}
|
|
798
|
-
</style>
|