matterviz 0.3.0 → 0.3.2
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/FilePicker.svelte +37 -20
- package/dist/Icon.svelte +2 -2
- package/dist/MillerIndexInput.svelte +60 -0
- package/dist/MillerIndexInput.svelte.d.ts +7 -0
- package/dist/app.css +38 -2
- package/dist/brillouin/BrillouinZone.svelte +20 -62
- package/dist/brillouin/BrillouinZone.svelte.d.ts +1 -1
- package/dist/brillouin/BrillouinZoneExportPane.svelte +12 -20
- package/dist/brillouin/BrillouinZoneScene.svelte +2 -2
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
- package/dist/chempot-diagram/ChemPotDiagram.svelte +192 -0
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +677 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +2688 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotScene3D.svelte +8 -0
- package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
- package/dist/chempot-diagram/color.d.ts +10 -0
- package/dist/chempot-diagram/color.js +33 -0
- package/dist/chempot-diagram/compute.d.ts +38 -0
- package/dist/chempot-diagram/compute.js +650 -0
- package/dist/chempot-diagram/index.d.ts +5 -0
- package/dist/chempot-diagram/index.js +5 -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 +37 -0
- package/dist/chempot-diagram/types.d.ts +83 -0
- package/dist/chempot-diagram/types.js +27 -0
- package/dist/colors/index.d.ts +3 -1
- package/dist/colors/index.js +4 -0
- package/dist/composition/BarChart.svelte +13 -22
- package/dist/composition/BubbleChart.svelte +5 -3
- package/dist/composition/FormulaFilter.svelte +770 -90
- package/dist/composition/FormulaFilter.svelte.d.ts +37 -1
- package/dist/composition/PieChart.svelte +43 -18
- package/dist/composition/PieChart.svelte.d.ts +1 -1
- package/dist/constants.d.ts +1 -0
- package/dist/constants.js +2 -0
- package/dist/convex-hull/ConvexHull.svelte +14 -1
- package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull2D.svelte +14 -45
- package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull3D.svelte +396 -134
- package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull4D.svelte +93 -42
- package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHullControls.svelte +94 -31
- package/dist/convex-hull/ConvexHullControls.svelte.d.ts +4 -2
- package/dist/convex-hull/ConvexHullStats.svelte +697 -128
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +6 -1
- package/dist/convex-hull/ConvexHullTooltip.svelte +1 -0
- package/dist/convex-hull/GasPressureControls.svelte +72 -38
- package/dist/convex-hull/GasPressureControls.svelte.d.ts +2 -1
- package/dist/convex-hull/TemperatureSlider.svelte +46 -19
- package/dist/convex-hull/TemperatureSlider.svelte.d.ts +2 -1
- package/dist/convex-hull/demo-temperature.d.ts +6 -0
- package/dist/convex-hull/demo-temperature.js +36 -0
- package/dist/convex-hull/gas-thermodynamics.js +16 -5
- package/dist/convex-hull/helpers.d.ts +7 -1
- package/dist/convex-hull/helpers.js +45 -15
- package/dist/convex-hull/index.d.ts +15 -1
- package/dist/convex-hull/index.js +1 -0
- package/dist/convex-hull/thermodynamics.d.ts +8 -21
- package/dist/convex-hull/thermodynamics.js +106 -17
- package/dist/convex-hull/types.d.ts +7 -0
- package/dist/convex-hull/types.js +11 -0
- package/dist/coordination/CoordinationBarPlot.svelte +29 -46
- package/dist/element/BohrAtom.svelte +1 -1
- package/dist/element/data.js +2 -14
- package/dist/element/data.json.gz +0 -0
- package/dist/element/index.d.ts +1 -1
- package/dist/element/index.js +1 -0
- package/dist/element/types.d.ts +1 -0
- package/dist/fermi-surface/FermiSurface.svelte +21 -65
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceScene.svelte +1 -1
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
- package/dist/fermi-surface/compute.js +1 -21
- package/dist/fermi-surface/marching-cubes.d.ts +2 -13
- package/dist/fermi-surface/marching-cubes.js +2 -519
- package/dist/fermi-surface/parse.js +17 -23
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +1273 -0
- package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +171 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +31 -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 +119 -0
- package/dist/icons.js +119 -0
- package/dist/index.d.ts +6 -1
- package/dist/index.js +6 -1
- package/dist/io/export.js +15 -3
- package/dist/io/file-drop.d.ts +7 -0
- package/dist/io/file-drop.js +43 -0
- package/dist/io/index.d.ts +2 -2
- package/dist/io/index.js +2 -112
- package/dist/io/types.d.ts +1 -0
- package/dist/io/url-drop.d.ts +2 -0
- package/dist/io/url-drop.js +118 -0
- package/dist/isosurface/Isosurface.svelte +231 -0
- package/dist/isosurface/Isosurface.svelte.d.ts +8 -0
- package/dist/isosurface/IsosurfaceControls.svelte +273 -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 +548 -0
- package/dist/isosurface/slice.d.ts +11 -0
- package/dist/isosurface/slice.js +145 -0
- package/dist/isosurface/types.d.ts +55 -0
- package/dist/isosurface/types.js +178 -0
- package/dist/labels.d.ts +2 -1
- package/dist/labels.js +1 -0
- package/dist/layout/InfoTag.svelte +62 -62
- package/dist/layout/SubpageGrid.svelte +74 -0
- package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
- package/dist/layout/index.d.ts +1 -0
- package/dist/layout/index.js +1 -0
- package/dist/layout/json-tree/JsonNode.svelte +226 -53
- package/dist/layout/json-tree/JsonTree.svelte +425 -51
- package/dist/layout/json-tree/JsonTree.svelte.d.ts +1 -1
- package/dist/layout/json-tree/JsonValue.svelte +218 -97
- package/dist/layout/json-tree/types.d.ts +27 -2
- package/dist/layout/json-tree/utils.d.ts +14 -1
- package/dist/layout/json-tree/utils.js +254 -0
- package/dist/marching-cubes.d.ts +14 -0
- package/dist/marching-cubes.js +519 -0
- package/dist/math.d.ts +8 -0
- package/dist/math.js +374 -7
- package/dist/overlays/ContextMenu.svelte +3 -2
- package/dist/overlays/DraggablePane.svelte +163 -58
- package/dist/overlays/DraggablePane.svelte.d.ts +2 -0
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +232 -77
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -2
- package/dist/phase-diagram/PhaseDiagramControls.svelte +32 -11
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +3 -2
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +103 -0
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +102 -95
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +7 -0
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +100 -26
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +6 -3
- package/dist/phase-diagram/index.d.ts +2 -0
- package/dist/phase-diagram/index.js +2 -0
- package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
- package/dist/phase-diagram/svg-to-diagram.js +865 -0
- package/dist/phase-diagram/types.d.ts +10 -0
- package/dist/phase-diagram/utils.d.ts +7 -4
- package/dist/phase-diagram/utils.js +149 -59
- package/dist/plot/AxisLabel.svelte +26 -0
- package/dist/plot/AxisLabel.svelte.d.ts +16 -0
- package/dist/plot/BarPlot.svelte +473 -228
- package/dist/plot/BarPlot.svelte.d.ts +3 -3
- package/dist/plot/BarPlotControls.svelte +3 -2
- package/dist/plot/BarPlotControls.svelte.d.ts +1 -1
- package/dist/plot/ColorBar.svelte +54 -54
- package/dist/plot/ColorBar.svelte.d.ts +1 -1
- package/dist/plot/ElementScatter.svelte +4 -3
- package/dist/plot/FillArea.svelte +4 -1
- package/dist/plot/Histogram.svelte +320 -230
- package/dist/plot/Histogram.svelte.d.ts +2 -2
- package/dist/plot/HistogramControls.svelte +29 -10
- package/dist/plot/HistogramControls.svelte.d.ts +6 -2
- package/dist/plot/InteractiveAxisLabel.svelte.d.ts +2 -2
- package/dist/plot/PlotControls.svelte +109 -27
- package/dist/plot/PlotControls.svelte.d.ts +1 -1
- package/dist/plot/PlotLegend.svelte +1 -1
- package/dist/plot/PortalSelect.svelte +2 -1
- package/dist/plot/ReferenceLine.svelte +2 -1
- package/dist/plot/ReferenceLine.svelte.d.ts +1 -0
- package/dist/plot/ReferencePlane.svelte +1 -3
- package/dist/plot/ScatterPlot.svelte +343 -209
- package/dist/plot/ScatterPlot.svelte.d.ts +3 -3
- package/dist/plot/ScatterPlot3D.svelte.d.ts +2 -2
- package/dist/plot/ScatterPlot3DControls.svelte +203 -250
- package/dist/plot/ScatterPlot3DScene.svelte +4 -7
- package/dist/plot/ScatterPlot3DScene.svelte.d.ts +2 -2
- package/dist/plot/ScatterPlotControls.svelte +95 -55
- package/dist/plot/ScatterPlotControls.svelte.d.ts +1 -1
- package/dist/plot/ZeroLines.svelte +44 -0
- package/dist/plot/ZeroLines.svelte.d.ts +32 -0
- package/dist/plot/ZoomRect.svelte +21 -0
- package/dist/plot/ZoomRect.svelte.d.ts +8 -0
- package/dist/plot/axis-utils.d.ts +1 -1
- package/dist/plot/data-cleaning.js +1 -5
- package/dist/plot/index.d.ts +6 -2
- package/dist/plot/index.js +6 -2
- package/dist/plot/interactions.d.ts +8 -10
- package/dist/plot/interactions.js +10 -19
- package/dist/plot/layout.d.ts +7 -1
- package/dist/plot/layout.js +12 -4
- package/dist/plot/reference-line.d.ts +4 -21
- package/dist/plot/reference-line.js +7 -81
- package/dist/plot/types.d.ts +42 -17
- package/dist/plot/types.js +10 -0
- package/dist/plot/utils/label-placement.js +14 -11
- package/dist/plot/utils.d.ts +1 -0
- package/dist/plot/utils.js +14 -0
- package/dist/rdf/RdfPlot.svelte +55 -66
- package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
- package/dist/rdf/index.d.ts +1 -1
- package/dist/rdf/index.js +1 -1
- package/dist/settings.d.ts +5 -0
- package/dist/settings.js +37 -3
- package/dist/spectral/Bands.svelte +515 -143
- package/dist/spectral/Bands.svelte.d.ts +22 -2
- package/dist/spectral/helpers.d.ts +23 -1
- package/dist/spectral/helpers.js +65 -9
- package/dist/spectral/types.d.ts +2 -0
- package/dist/structure/AtomLegend.svelte +31 -10
- package/dist/structure/AtomLegend.svelte.d.ts +1 -1
- package/dist/structure/CellSelect.svelte +92 -22
- package/dist/structure/Lattice.svelte +2 -0
- package/dist/structure/Structure.svelte +716 -173
- package/dist/structure/Structure.svelte.d.ts +7 -2
- package/dist/structure/StructureControls.svelte +26 -14
- package/dist/structure/StructureControls.svelte.d.ts +5 -1
- package/dist/structure/StructureInfoPane.svelte +7 -1
- package/dist/structure/StructureScene.svelte +386 -95
- package/dist/structure/StructureScene.svelte.d.ts +15 -4
- package/dist/structure/atom-properties.d.ts +6 -2
- package/dist/structure/atom-properties.js +38 -25
- package/dist/structure/export.js +10 -7
- package/dist/structure/ferrox-wasm-types.d.ts +3 -2
- package/dist/structure/ferrox-wasm-types.js +0 -3
- package/dist/structure/ferrox-wasm.d.ts +3 -2
- package/dist/structure/ferrox-wasm.js +1 -2
- package/dist/structure/index.d.ts +7 -0
- package/dist/structure/index.js +22 -0
- package/dist/structure/parse.js +19 -16
- package/dist/structure/partial-occupancy.d.ts +25 -0
- package/dist/structure/partial-occupancy.js +102 -0
- package/dist/structure/validation.js +6 -3
- package/dist/symmetry/SymmetryStats.svelte +18 -4
- package/dist/symmetry/WyckoffTable.svelte +18 -10
- package/dist/symmetry/index.d.ts +7 -4
- package/dist/symmetry/index.js +83 -18
- package/dist/table/HeatmapTable.svelte +468 -69
- package/dist/table/HeatmapTable.svelte.d.ts +13 -1
- package/dist/table/ToggleMenu.svelte +291 -44
- package/dist/table/ToggleMenu.svelte.d.ts +4 -1
- package/dist/table/index.d.ts +3 -0
- package/dist/tooltip/index.d.ts +1 -1
- package/dist/tooltip/index.js +1 -0
- package/dist/trajectory/Trajectory.svelte +147 -145
- package/dist/trajectory/TrajectoryExportPane.svelte +13 -9
- package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +1 -1
- package/dist/trajectory/constants.d.ts +6 -0
- package/dist/trajectory/constants.js +7 -0
- package/dist/trajectory/extract.js +3 -5
- package/dist/trajectory/format-detect.d.ts +9 -0
- package/dist/trajectory/format-detect.js +76 -0
- package/dist/trajectory/frame-reader.d.ts +17 -0
- package/dist/trajectory/frame-reader.js +339 -0
- package/dist/trajectory/helpers.d.ts +15 -0
- package/dist/trajectory/helpers.js +187 -0
- package/dist/trajectory/index.d.ts +1 -0
- package/dist/trajectory/index.js +11 -4
- package/dist/trajectory/parse/ase.d.ts +2 -0
- package/dist/trajectory/parse/ase.js +76 -0
- package/dist/trajectory/parse/hdf5.d.ts +2 -0
- package/dist/trajectory/parse/hdf5.js +121 -0
- package/dist/trajectory/parse/index.d.ts +12 -0
- package/dist/trajectory/parse/index.js +304 -0
- package/dist/trajectory/parse/lammps.d.ts +5 -0
- package/dist/trajectory/parse/lammps.js +169 -0
- package/dist/trajectory/parse/vasp.d.ts +2 -0
- package/dist/trajectory/parse/vasp.js +65 -0
- package/dist/trajectory/parse/xyz.d.ts +2 -0
- package/dist/trajectory/parse/xyz.js +109 -0
- package/dist/trajectory/types.d.ts +11 -0
- package/dist/trajectory/types.js +1 -0
- package/dist/utils.d.ts +2 -0
- package/dist/utils.js +4 -0
- package/dist/xrd/XrdPlot.svelte +6 -4
- package/dist/xrd/calc-xrd.js +0 -1
- package/package.json +33 -23
- package/readme.md +4 -4
- package/dist/trajectory/parse.d.ts +0 -42
- package/dist/trajectory/parse.js +0 -1267
- /package/dist/element/{data.json.d.ts → data.json.gz.d.ts} +0 -0
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// SVG-to-DiagramInput converter
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// Parses phase diagram SVGs (matplotlib or simple/Gemini format) into DiagramInput JSON
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// Two-phase color keys to cycle through for region assignment
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const TWO_PHASE_COLORS = [
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`two_phase`,
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`two_phase_intermetallic`,
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`two_phase_fcc_liquid`,
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`two_phase_intermetallic_alt`,
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`two_phase_alt`,
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`two_phase_gamma`,
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`two_phase_mixed`,
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`two_phase_si`,
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`two_phase_bcc_liquid`,
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`two_phase_hcp_liquid`,
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`two_phase_theta_liquid`,
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`two_phase_eta`,
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];
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// Round to 6 decimal places for clean floating-point output
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const round = (val) => Math.round(val * 1e6) / 1e6;
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// === Format Detection ===
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function detect_format(doc) {
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// Matplotlib SVGs have xtick/ytick group IDs
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if (doc.querySelector(`[id^="xtick_"]`) || doc.querySelector(`[id^="ytick_"]`)) {
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return `matplotlib`;
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}
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// MPDS SVGs (from CorelDRAW/Inkscape) have sodipodi namespace or inkscape attributes
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if (svg_el?.getAttribute(`sodipodi:docname`) ||
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svg_el?.getAttribute(`inkscape:version`) ||
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svg_el?.getAttributeNS(`http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd`, `docname`)) {
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return `mpds`;
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}
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}
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// === Axis Scale Extraction ===
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function extract_axis_scales(doc, format) {
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extract_matplotlib_ticks(doc, x_ticks, y_ticks);
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}
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return extract_mpds_scales(doc);
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extract_simple_ticks(doc, x_ticks, y_ticks);
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}
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throw new Error(`Need at least 2 x-axis ticks, found ${x_ticks.length}`);
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}
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throw new Error(`Need at least 2 y-axis ticks, found ${y_ticks.length}`);
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}
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return {
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x_scale: build_scale(x_ticks),
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y_scale: build_scale(y_ticks), // y-axis inverted (SVG y down, temp up)
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};
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}
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function extract_matplotlib_ticks(doc, x_ticks, y_ticks) {
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const axes = [
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[`xtick_`, `x`, x_ticks],
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[`ytick_`, `y`, y_ticks],
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];
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for (const [prefix, attr, ticks] of axes) {
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for (const group of Array.from(doc.querySelectorAll(`[id^="${prefix}"]`))) {
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const value = extract_comment_number(group);
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+
const use_el = group.querySelector(`use`);
|
|
72
|
+
if (value !== null && use_el) {
|
|
73
|
+
const px = parse_float_attr(use_el, attr);
|
|
74
|
+
if (px !== null)
|
|
75
|
+
ticks.push({ px, value });
|
|
76
|
+
}
|
|
77
|
+
}
|
|
78
|
+
}
|
|
79
|
+
}
|
|
80
|
+
// Extract ticks from simple SVG (class-based text elements)
|
|
81
|
+
function extract_simple_ticks(doc, x_ticks, y_ticks) {
|
|
82
|
+
// Y-axis ticks: class="tick-text" with text-anchor: end
|
|
83
|
+
for (const text_el of Array.from(doc.querySelectorAll(`.tick-text`))) {
|
|
84
|
+
const value = parseFloat(text_el.textContent?.trim() ?? ``);
|
|
85
|
+
if (isNaN(value))
|
|
86
|
+
continue;
|
|
87
|
+
// Find the immediately preceding sibling tick line (not just any line in parent)
|
|
88
|
+
const tick_line = text_el.previousElementSibling;
|
|
89
|
+
if (!tick_line || !tick_line.matches(`.tick-line, line`))
|
|
90
|
+
continue;
|
|
91
|
+
const py = parse_float_attr(tick_line, `y1`);
|
|
92
|
+
// Apply parent group transform if present
|
|
93
|
+
const parent = text_el.parentElement;
|
|
94
|
+
const transform_y = get_group_translate(parent, `y`);
|
|
95
|
+
if (py !== null)
|
|
96
|
+
y_ticks.push({ px: py + transform_y, value });
|
|
97
|
+
}
|
|
98
|
+
// X-axis ticks: class="tick-text-x"
|
|
99
|
+
for (const text_el of Array.from(doc.querySelectorAll(`.tick-text-x`))) {
|
|
100
|
+
const value = parseFloat(text_el.textContent?.trim() ?? ``);
|
|
101
|
+
if (isNaN(value))
|
|
102
|
+
continue;
|
|
103
|
+
const px_x = parse_float_attr(text_el, `x`);
|
|
104
|
+
// Apply parent group transform if present
|
|
105
|
+
const parent = text_el.parentElement;
|
|
106
|
+
const transform_x = get_group_translate(parent, `x`);
|
|
107
|
+
if (px_x !== null)
|
|
108
|
+
x_ticks.push({ px: px_x + transform_x, value });
|
|
109
|
+
}
|
|
110
|
+
}
|
|
111
|
+
// Extract scales from MPDS SVGs using tick mark paths and text values
|
|
112
|
+
// MPDS SVGs store tick marks as multi-segment paths with major ticks (longer)
|
|
113
|
+
// and minor ticks (shorter). Text values are not positionally useful but
|
|
114
|
+
// tell us the data range.
|
|
115
|
+
function extract_mpds_scales(doc) {
|
|
116
|
+
// Extract all numeric text values to infer axis ranges
|
|
117
|
+
const numbers = [];
|
|
118
|
+
for (const text_el of Array.from(doc.querySelectorAll(`text`))) {
|
|
119
|
+
const val = parseFloat(text_el.textContent?.trim() ?? ``);
|
|
120
|
+
if (!isNaN(val))
|
|
121
|
+
numbers.push(val);
|
|
122
|
+
}
|
|
123
|
+
// Separate composition (0-100 at%) from temperature (typically 100-3000)
|
|
124
|
+
// Note: value 100 appears in both filters (valid as 100 at% and 100°C).
|
|
125
|
+
// This is intentional — only endpoints are used for scale mapping.
|
|
126
|
+
const comp_vals = [
|
|
127
|
+
...new Set(numbers.filter((v) => v >= 0 && v <= 100 && v % 10 === 0)),
|
|
128
|
+
].sort((a, b) => a - b);
|
|
129
|
+
const temp_vals = [
|
|
130
|
+
...new Set(numbers.filter((v) => v >= 100 && v % 100 === 0 && v <= 3000)),
|
|
131
|
+
].sort((a, b) => a - b);
|
|
132
|
+
if (comp_vals.length < 2 || temp_vals.length < 2) {
|
|
133
|
+
throw new Error(`MPDS SVG: could not infer axis ranges (found ${comp_vals.length} composition, ${temp_vals.length} temperature values)`);
|
|
134
|
+
}
|
|
135
|
+
// Find tick mark paths — multi-segment paths with stroke-width ~0.5
|
|
136
|
+
// containing both major (longer) and minor (shorter) tick marks
|
|
137
|
+
const x_major_ticks = [];
|
|
138
|
+
const y_major_ticks = [];
|
|
139
|
+
for (const path of Array.from(doc.querySelectorAll(`path`))) {
|
|
140
|
+
const d = path.getAttribute(`d`) ?? ``;
|
|
141
|
+
const stroke_width = parse_stroke_width(path);
|
|
142
|
+
// Tick mark paths have stroke-width ~0.5
|
|
143
|
+
if (stroke_width < 0.3 || stroke_width > 1.0)
|
|
144
|
+
continue;
|
|
145
|
+
// Parse path into absolute line segments (handles both absolute & relative commands)
|
|
146
|
+
const segments = parse_path_segments(d);
|
|
147
|
+
if (segments.length < 3)
|
|
148
|
+
continue;
|
|
149
|
+
for (const [sx1, sy1, sx2, sy2] of segments) {
|
|
150
|
+
const seg_dx = Math.abs(sx2 - sx1);
|
|
151
|
+
const seg_dy = Math.abs(sy2 - sy1);
|
|
152
|
+
// Major ticks are longer (~3.9 px), minor are shorter (~1.7 px)
|
|
153
|
+
if (Math.hypot(seg_dx, seg_dy) < 3)
|
|
154
|
+
continue;
|
|
155
|
+
// Horizontal tick segments → y-axis tick (x changes, y constant)
|
|
156
|
+
if (seg_dy < 0.1 && seg_dx > 2) {
|
|
157
|
+
y_major_ticks.push(Math.round(sy1 * 100) / 100);
|
|
158
|
+
}
|
|
159
|
+
// Vertical tick segments → x-axis tick (y changes, x constant)
|
|
160
|
+
if (seg_dx < 0.1 && seg_dy > 2) {
|
|
161
|
+
x_major_ticks.push(Math.round(sx1 * 100) / 100);
|
|
162
|
+
}
|
|
163
|
+
}
|
|
164
|
+
}
|
|
165
|
+
// Deduplicate and sort
|
|
166
|
+
const x_ticks_sorted = [...new Set(x_major_ticks.map((v) => Math.round(v * 10) / 10))]
|
|
167
|
+
.sort((a, b) => a - b);
|
|
168
|
+
const y_ticks_sorted = [...new Set(y_major_ticks.map((v) => Math.round(v * 10) / 10))]
|
|
169
|
+
.sort((a, b) => a - b);
|
|
170
|
+
if (x_ticks_sorted.length < 2 || y_ticks_sorted.length < 2) {
|
|
171
|
+
throw new Error(`MPDS SVG: could not find tick marks (found ${x_ticks_sorted.length} x-ticks, ${y_ticks_sorted.length} y-ticks)`);
|
|
172
|
+
}
|
|
173
|
+
// Map tick positions to data values using endpoints
|
|
174
|
+
// Only the first and last tick+value need to match for a linear scale
|
|
175
|
+
// x-axis: composition in at% → fraction; y-axis: temperature (SVG y inverted)
|
|
176
|
+
const x_ticks = [
|
|
177
|
+
{ px: x_ticks_sorted[0], value: comp_vals[0] / 100 },
|
|
178
|
+
{
|
|
179
|
+
px: x_ticks_sorted[x_ticks_sorted.length - 1],
|
|
180
|
+
value: comp_vals[comp_vals.length - 1] / 100,
|
|
181
|
+
},
|
|
182
|
+
];
|
|
183
|
+
const y_ticks = [
|
|
184
|
+
{ px: y_ticks_sorted[0], value: temp_vals[temp_vals.length - 1] }, // top = highest temp
|
|
185
|
+
{ px: y_ticks_sorted[y_ticks_sorted.length - 1], value: temp_vals[0] }, // bottom = lowest temp
|
|
186
|
+
];
|
|
187
|
+
return {
|
|
188
|
+
x_scale: build_scale(x_ticks),
|
|
189
|
+
y_scale: build_scale(y_ticks),
|
|
190
|
+
};
|
|
191
|
+
}
|
|
192
|
+
// Build a linear scale from tick data points
|
|
193
|
+
function build_scale(ticks) {
|
|
194
|
+
ticks.sort((a, b) => a.value - b.value);
|
|
195
|
+
const first = ticks[0];
|
|
196
|
+
const last = ticks[ticks.length - 1];
|
|
197
|
+
const range = last.value - first.value;
|
|
198
|
+
if (range === 0) {
|
|
199
|
+
return { to_data: () => first.value, domain: [first.value, last.value] };
|
|
200
|
+
}
|
|
201
|
+
const px_per_unit = (last.px - first.px) / range;
|
|
202
|
+
return {
|
|
203
|
+
to_data: (px) => first.value + (px - first.px) / px_per_unit,
|
|
204
|
+
domain: [first.value, last.value],
|
|
205
|
+
};
|
|
206
|
+
}
|
|
207
|
+
// === Boundary Extraction ===
|
|
208
|
+
// Extract phase boundary lines from SVG and convert to data coordinates
|
|
209
|
+
function extract_boundaries(doc, format, x_scale, y_scale) {
|
|
210
|
+
const boundaries = [];
|
|
211
|
+
const epsilon = 0.5; // pixel tolerance for classifying horizontal/vertical
|
|
212
|
+
if (format === `mpds`) {
|
|
213
|
+
extract_mpds_boundaries(doc, boundaries, x_scale, y_scale, epsilon);
|
|
214
|
+
}
|
|
215
|
+
else if (format === `matplotlib`) {
|
|
216
|
+
// Matplotlib: look for line2d_N groups with path elements (skip tick marks at line2d_1..12ish)
|
|
217
|
+
for (const group of Array.from(doc.querySelectorAll(`[id^="line2d_"]`))) {
|
|
218
|
+
const path_el = group.querySelector(`path`);
|
|
219
|
+
if (!path_el)
|
|
220
|
+
continue;
|
|
221
|
+
const d_attr = path_el.getAttribute(`d`);
|
|
222
|
+
if (!d_attr)
|
|
223
|
+
continue;
|
|
224
|
+
// Parse "M x1 y1 L x2 y2" path data
|
|
225
|
+
const coords = parse_ml_path(d_attr);
|
|
226
|
+
if (!coords)
|
|
227
|
+
continue;
|
|
228
|
+
// Skip tick mark lines (short lines, typically < 10px)
|
|
229
|
+
const dx = Math.abs(coords.x2 - coords.x1);
|
|
230
|
+
const dy = Math.abs(coords.y2 - coords.y1);
|
|
231
|
+
if (dx < 15 && dy < 15)
|
|
232
|
+
continue;
|
|
233
|
+
// Check stroke-width to distinguish boundaries from axis lines
|
|
234
|
+
const stroke_width = parse_stroke_width(path_el) || 1;
|
|
235
|
+
// Axis patches (id="patch_*") are axis borders, not phase boundaries
|
|
236
|
+
const parent_id = group.getAttribute(`id`) ?? ``;
|
|
237
|
+
if (parent_id.startsWith(`patch_`))
|
|
238
|
+
continue;
|
|
239
|
+
// Only include lines with meaningful stroke
|
|
240
|
+
if (stroke_width < 1)
|
|
241
|
+
continue;
|
|
242
|
+
add_boundary(boundaries, coords, x_scale, y_scale, epsilon);
|
|
243
|
+
}
|
|
244
|
+
}
|
|
245
|
+
else {
|
|
246
|
+
// Simple: <line class="phase-boundary">
|
|
247
|
+
for (const line_el of Array.from(doc.querySelectorAll(`.phase-boundary, line[class*="phase-boundary"]`))) {
|
|
248
|
+
const x1 = parse_float_attr(line_el, `x1`);
|
|
249
|
+
const y1 = parse_float_attr(line_el, `y1`);
|
|
250
|
+
const x2 = parse_float_attr(line_el, `x2`);
|
|
251
|
+
const y2 = parse_float_attr(line_el, `y2`);
|
|
252
|
+
if (x1 === null || y1 === null || x2 === null || y2 === null)
|
|
253
|
+
continue;
|
|
254
|
+
add_boundary(boundaries, { x1, y1, x2, y2 }, x_scale, y_scale, epsilon);
|
|
255
|
+
}
|
|
256
|
+
}
|
|
257
|
+
return boundaries;
|
|
258
|
+
}
|
|
259
|
+
// Extract boundaries from MPDS SVGs — simple M x1,y1 L x2,y2 path elements
|
|
260
|
+
// inside the plot area with thin stroke (0.216) and dark color
|
|
261
|
+
function extract_mpds_boundaries(doc, boundaries, x_scale, y_scale, epsilon) {
|
|
262
|
+
// Find the plot border to filter boundaries inside it
|
|
263
|
+
const plot_rect = find_mpds_plot_rect(doc);
|
|
264
|
+
if (!plot_rect)
|
|
265
|
+
return;
|
|
266
|
+
const { left, right, top, bottom } = plot_rect;
|
|
267
|
+
for (const path of Array.from(doc.querySelectorAll(`path`))) {
|
|
268
|
+
const d = path.getAttribute(`d`) ?? ``;
|
|
269
|
+
const style = path.getAttribute(`style`) ?? ``;
|
|
270
|
+
// Skip tick mark paths (stroke-width > 0.3)
|
|
271
|
+
const stroke_width = parse_stroke_width(path);
|
|
272
|
+
if (stroke_width > 0.3 || stroke_width === 0)
|
|
273
|
+
continue;
|
|
274
|
+
// Skip filled regions (phase region fills)
|
|
275
|
+
if (style.includes(`fill-rule`) || style.includes(`fill: #`) || style.includes(`fill:#`)) {
|
|
276
|
+
if (!style.includes(`fill: none`) && !style.includes(`fill:none`))
|
|
277
|
+
continue;
|
|
278
|
+
}
|
|
279
|
+
// Skip red annotation lines
|
|
280
|
+
if (style.includes(`#e30016`) || style.includes(`#E30016`))
|
|
281
|
+
continue;
|
|
282
|
+
// Parse as simple M...L line
|
|
283
|
+
const coords = parse_ml_path(d);
|
|
284
|
+
if (!coords)
|
|
285
|
+
continue;
|
|
286
|
+
// Must be inside the plot area
|
|
287
|
+
const inside = coords.x1 >= left - 1 && coords.x1 <= right + 1 &&
|
|
288
|
+
coords.x2 >= left - 1 && coords.x2 <= right + 1 &&
|
|
289
|
+
coords.y1 >= top - 1 && coords.y1 <= bottom + 1 &&
|
|
290
|
+
coords.y2 >= top - 1 && coords.y2 <= bottom + 1;
|
|
291
|
+
if (!inside)
|
|
292
|
+
continue;
|
|
293
|
+
// Skip very short segments (< 10px)
|
|
294
|
+
const dx = Math.abs(coords.x2 - coords.x1);
|
|
295
|
+
const dy = Math.abs(coords.y2 - coords.y1);
|
|
296
|
+
if (dx < 10 && dy < 10)
|
|
297
|
+
continue;
|
|
298
|
+
// Skip the plot border itself (connects all 4 edges)
|
|
299
|
+
const touches_left = Math.abs(coords.x1 - left) < 2 || Math.abs(coords.x2 - left) < 2;
|
|
300
|
+
const touches_right = Math.abs(coords.x1 - right) < 2 ||
|
|
301
|
+
Math.abs(coords.x2 - right) < 2;
|
|
302
|
+
if (touches_left && touches_right)
|
|
303
|
+
continue; // spans full width = likely axis
|
|
304
|
+
add_boundary(boundaries, coords, x_scale, y_scale, epsilon);
|
|
305
|
+
}
|
|
306
|
+
}
|
|
307
|
+
// Find the plot area rectangle in an MPDS SVG
|
|
308
|
+
// Handles both M...L...L...L...Z and M...V...H...V...Z formats
|
|
309
|
+
function find_mpds_plot_rect(doc) {
|
|
310
|
+
for (const path of Array.from(doc.querySelectorAll(`path`))) {
|
|
311
|
+
const d = path.getAttribute(`d`) ?? ``;
|
|
312
|
+
const style = path.getAttribute(`style`) ?? ``;
|
|
313
|
+
if (!style.includes(`fill: none`) && !style.includes(`fill:none`))
|
|
314
|
+
continue;
|
|
315
|
+
if (!d.includes(`Z`) && !d.includes(`z`))
|
|
316
|
+
continue;
|
|
317
|
+
// Parse path into absolute segments and extract corner points
|
|
318
|
+
const segments = parse_path_segments(d);
|
|
319
|
+
if (segments.length < 3)
|
|
320
|
+
continue; // rectangle needs at least 3 segments (4th is Z)
|
|
321
|
+
// Collect all x and y coordinates from segment endpoints
|
|
322
|
+
const xs = [];
|
|
323
|
+
const ys = [];
|
|
324
|
+
for (const [x1, y1, x2, y2] of segments) {
|
|
325
|
+
xs.push(Math.round(x1 * 10) / 10, Math.round(x2 * 10) / 10);
|
|
326
|
+
ys.push(Math.round(y1 * 10) / 10, Math.round(y2 * 10) / 10);
|
|
327
|
+
}
|
|
328
|
+
const unique_x = [...new Set(xs)];
|
|
329
|
+
const unique_y = [...new Set(ys)];
|
|
330
|
+
// Rectangle has exactly 2 unique x and 2 unique y values
|
|
331
|
+
if (unique_x.length === 2 && unique_y.length === 2) {
|
|
332
|
+
return {
|
|
333
|
+
left: Math.min(...unique_x),
|
|
334
|
+
right: Math.max(...unique_x),
|
|
335
|
+
top: Math.min(...unique_y),
|
|
336
|
+
bottom: Math.max(...unique_y),
|
|
337
|
+
};
|
|
338
|
+
}
|
|
339
|
+
}
|
|
340
|
+
return null;
|
|
341
|
+
}
|
|
342
|
+
// Add a boundary line, classifying as horizontal or vertical
|
|
343
|
+
function add_boundary(boundaries, px, x_scale, y_scale, epsilon) {
|
|
344
|
+
const is_vertical = Math.abs(px.x1 - px.x2) < epsilon;
|
|
345
|
+
const is_horizontal = Math.abs(px.y1 - px.y2) < epsilon;
|
|
346
|
+
if (!is_vertical && !is_horizontal)
|
|
347
|
+
return; // skip diagonal lines
|
|
348
|
+
const data_x1 = x_scale.to_data(px.x1);
|
|
349
|
+
const data_y1 = y_scale.to_data(px.y1);
|
|
350
|
+
const data_x2 = x_scale.to_data(px.x2);
|
|
351
|
+
const data_y2 = y_scale.to_data(px.y2);
|
|
352
|
+
boundaries.push({
|
|
353
|
+
x1: Math.min(data_x1, data_x2),
|
|
354
|
+
y1: Math.min(data_y1, data_y2),
|
|
355
|
+
x2: Math.max(data_x1, data_x2),
|
|
356
|
+
y2: Math.max(data_y1, data_y2),
|
|
357
|
+
orientation: is_vertical ? `vertical` : `horizontal`,
|
|
358
|
+
});
|
|
359
|
+
}
|
|
360
|
+
// === Label Extraction ===
|
|
361
|
+
// Extract phase region labels with their pixel positions
|
|
362
|
+
function extract_labels(doc, format) {
|
|
363
|
+
const labels = [];
|
|
364
|
+
if (format === `matplotlib`) {
|
|
365
|
+
extract_matplotlib_labels(doc, labels);
|
|
366
|
+
}
|
|
367
|
+
else if (format === `mpds`) {
|
|
368
|
+
// MPDS labels use garbled encoding; skip label extraction
|
|
369
|
+
// Regions will get auto-generated names from infer_regions
|
|
370
|
+
}
|
|
371
|
+
else {
|
|
372
|
+
extract_simple_labels(doc, labels);
|
|
373
|
+
}
|
|
374
|
+
return labels;
|
|
375
|
+
}
|
|
376
|
+
// Extract labels from matplotlib SVG using XML comments
|
|
377
|
+
function extract_matplotlib_labels(doc, labels) {
|
|
378
|
+
// Find text groups with comments containing phase names
|
|
379
|
+
// Matplotlib may split multi-line labels (especially rotated ones) into
|
|
380
|
+
// separate <g> groups: text_N has "La$_2$NiO$_4$", followed by a sibling
|
|
381
|
+
// with "+ La$_3$Ni$_2$O$_7$". We concatenate these continuation groups.
|
|
382
|
+
for (const group of Array.from(doc.querySelectorAll(`[id^="text_"]`))) {
|
|
383
|
+
let comment = find_comment_text(group);
|
|
384
|
+
if (!comment)
|
|
385
|
+
continue;
|
|
386
|
+
// Check following sibling groups for continuation comments starting with "+"
|
|
387
|
+
let sibling = group.nextElementSibling;
|
|
388
|
+
while (sibling) {
|
|
389
|
+
// Stop at the next text_N group (that's a separate label)
|
|
390
|
+
if (sibling.id?.startsWith(`text_`))
|
|
391
|
+
break;
|
|
392
|
+
const continuation = find_comment_text(sibling);
|
|
393
|
+
if (continuation?.trimStart().startsWith(`+`)) {
|
|
394
|
+
comment += ` ${continuation.trim()}`;
|
|
395
|
+
sibling = sibling.nextElementSibling;
|
|
396
|
+
}
|
|
397
|
+
else {
|
|
398
|
+
break;
|
|
399
|
+
}
|
|
400
|
+
}
|
|
401
|
+
if (!comment.includes(`+`))
|
|
402
|
+
continue; // skip axis labels (no "+")
|
|
403
|
+
// Clean LaTeX: "La$_2$NiO$_4$ + NiO" -> "La2NiO4 + NiO"
|
|
404
|
+
const text = clean_latex(comment.trim());
|
|
405
|
+
// Get position from transform="translate(x, y)"
|
|
406
|
+
const pos = parse_translate(group.querySelector(`g[transform]`)) ??
|
|
407
|
+
parse_translate(group);
|
|
408
|
+
if (!pos)
|
|
409
|
+
continue;
|
|
410
|
+
labels.push({ text, px_x: pos[0], px_y: pos[1] });
|
|
411
|
+
}
|
|
412
|
+
}
|
|
413
|
+
// Extract labels from simple SVG using class="label-main"
|
|
414
|
+
function extract_simple_labels(doc, labels) {
|
|
415
|
+
for (const text_el of Array.from(doc.querySelectorAll(`.label-main`))) {
|
|
416
|
+
// Get plain text content (strips tspan tags)
|
|
417
|
+
const text = (text_el.textContent ?? ``).replace(/\s+/g, ` `).trim();
|
|
418
|
+
if (!text.includes(`+`))
|
|
419
|
+
continue; // skip non-phase labels
|
|
420
|
+
// Get position from transform or x/y attributes
|
|
421
|
+
const pos = parse_translate(text_el);
|
|
422
|
+
const px_x = pos?.[0] ?? parse_float_attr(text_el, `x`);
|
|
423
|
+
const px_y = pos?.[1] ?? parse_float_attr(text_el, `y`);
|
|
424
|
+
if (px_x !== null && px_y !== null) {
|
|
425
|
+
labels.push({ text, px_x, px_y });
|
|
426
|
+
}
|
|
427
|
+
}
|
|
428
|
+
}
|
|
429
|
+
// === Component Inference ===
|
|
430
|
+
// Infer binary components from region labels
|
|
431
|
+
function infer_components(labels) {
|
|
432
|
+
// Sort labels by x position, split each into phases
|
|
433
|
+
const sorted = [...labels].sort((a, b) => a.px_x - b.px_x);
|
|
434
|
+
if (sorted.length < 2)
|
|
435
|
+
return [`A`, `B`];
|
|
436
|
+
const split = (label) => label.text.split(/\s*\+\s*/);
|
|
437
|
+
const leftmost = split(sorted[0]);
|
|
438
|
+
const rightmost = split(sorted[sorted.length - 1]);
|
|
439
|
+
// Component A: the unique phase in the leftmost region that doesn't appear on the right
|
|
440
|
+
// For "La2NiO4 + La2O3", La2O3 is the pure A endpoint
|
|
441
|
+
let comp_a = `A`;
|
|
442
|
+
if (leftmost.length === 2) {
|
|
443
|
+
const right_phases = sorted.slice(-3).flatMap(split);
|
|
444
|
+
comp_a = leftmost.find((p) => !right_phases.includes(p)) ?? leftmost[1] ?? `A`;
|
|
445
|
+
}
|
|
446
|
+
// Component B: the unique phase in the rightmost region that doesn't appear on the left
|
|
447
|
+
let comp_b = `B`;
|
|
448
|
+
if (rightmost.length === 2) {
|
|
449
|
+
const left_phases = sorted.slice(0, 3).flatMap(split);
|
|
450
|
+
comp_b = rightmost.find((p) => !left_phases.includes(p)) ?? rightmost[1] ?? `B`;
|
|
451
|
+
}
|
|
452
|
+
return [comp_a, comp_b];
|
|
453
|
+
}
|
|
454
|
+
// === Region Inference ===
|
|
455
|
+
// Infer phase regions from orthogonal boundaries using flood-fill on a cell grid
|
|
456
|
+
function infer_regions(boundaries, labels, x_scale, y_scale) {
|
|
457
|
+
const verticals = boundaries.filter((b) => b.orientation === `vertical`);
|
|
458
|
+
const horizontals = boundaries.filter((b) => b.orientation === `horizontal`);
|
|
459
|
+
// Collect all unique x and y coordinates (boundaries + domain edges)
|
|
460
|
+
const x_coords = collect_unique_sorted([
|
|
461
|
+
x_scale.domain[0],
|
|
462
|
+
x_scale.domain[1],
|
|
463
|
+
...verticals.map((b) => b.x1), // x1 === x2 for vertical
|
|
464
|
+
]);
|
|
465
|
+
const y_coords = collect_unique_sorted([
|
|
466
|
+
y_scale.domain[0],
|
|
467
|
+
y_scale.domain[1],
|
|
468
|
+
...horizontals.map((b) => b.y1), // y1 === y2 for horizontal
|
|
469
|
+
]);
|
|
470
|
+
// Build cell grid: cells[col][row]
|
|
471
|
+
const n_cols = x_coords.length - 1;
|
|
472
|
+
const n_rows = y_coords.length - 1;
|
|
473
|
+
const cell_ids = Array.from({ length: n_cols }, () => new Array(n_rows).fill(-1));
|
|
474
|
+
// Check which cell edges have boundaries
|
|
475
|
+
const h_walls = Array.from({ length: n_cols }, () => new Array(n_rows + 1).fill(false));
|
|
476
|
+
const v_walls = Array.from({ length: n_cols + 1 }, () => new Array(n_rows).fill(false));
|
|
477
|
+
// Mark horizontal walls (bottom/top of cells)
|
|
478
|
+
for (const hb of horizontals) {
|
|
479
|
+
const row = find_coord_index(y_coords, hb.y1);
|
|
480
|
+
if (row === -1)
|
|
481
|
+
continue;
|
|
482
|
+
for (let col = 0; col < n_cols; col++) {
|
|
483
|
+
const cell_x_min = x_coords[col];
|
|
484
|
+
const cell_x_max = x_coords[col + 1];
|
|
485
|
+
// Check if the boundary spans this cell's x range
|
|
486
|
+
if (hb.x1 <= cell_x_min + 1e-6 && hb.x2 >= cell_x_max - 1e-6) {
|
|
487
|
+
h_walls[col][row] = true;
|
|
488
|
+
}
|
|
489
|
+
}
|
|
490
|
+
}
|
|
491
|
+
// Mark vertical walls (left/right of cells)
|
|
492
|
+
for (const vb of verticals) {
|
|
493
|
+
const col = find_coord_index(x_coords, vb.x1);
|
|
494
|
+
if (col === -1)
|
|
495
|
+
continue;
|
|
496
|
+
for (let row = 0; row < n_rows; row++) {
|
|
497
|
+
const cell_y_min = y_coords[row];
|
|
498
|
+
const cell_y_max = y_coords[row + 1];
|
|
499
|
+
// Check if the boundary spans this cell's y range
|
|
500
|
+
if (vb.y1 <= cell_y_min + 1e-6 && vb.y2 >= cell_y_max - 1e-6) {
|
|
501
|
+
v_walls[col][row] = true;
|
|
502
|
+
}
|
|
503
|
+
}
|
|
504
|
+
}
|
|
505
|
+
// Plot edges are always walls
|
|
506
|
+
for (let col = 0; col < n_cols; col++) {
|
|
507
|
+
h_walls[col][0] = true; // bottom edge
|
|
508
|
+
h_walls[col][n_rows] = true; // top edge
|
|
509
|
+
}
|
|
510
|
+
for (let row = 0; row < n_rows; row++) {
|
|
511
|
+
v_walls[0][row] = true; // left edge
|
|
512
|
+
v_walls[n_cols][row] = true; // right edge
|
|
513
|
+
}
|
|
514
|
+
// Flood-fill to assign region IDs
|
|
515
|
+
let next_region_id = 0;
|
|
516
|
+
for (let col = 0; col < n_cols; col++) {
|
|
517
|
+
for (let row = 0; row < n_rows; row++) {
|
|
518
|
+
if (cell_ids[col][row] !== -1)
|
|
519
|
+
continue;
|
|
520
|
+
flood_fill(cell_ids, h_walls, v_walls, col, row, n_cols, n_rows, next_region_id);
|
|
521
|
+
next_region_id++;
|
|
522
|
+
}
|
|
523
|
+
}
|
|
524
|
+
// Assign labels to regions by checking which region contains each label's position
|
|
525
|
+
const region_labels = new Map();
|
|
526
|
+
for (const label of labels) {
|
|
527
|
+
const data_x = x_scale.to_data(label.px_x);
|
|
528
|
+
const data_y = y_scale.to_data(label.px_y);
|
|
529
|
+
const col = find_cell_index(x_coords, data_x);
|
|
530
|
+
const row = find_cell_index(y_coords, data_y);
|
|
531
|
+
if (col >= 0 && col < n_cols && row >= 0 && row < n_rows) {
|
|
532
|
+
const region_id = cell_ids[col][row];
|
|
533
|
+
if (region_id !== -1) {
|
|
534
|
+
region_labels.set(region_id, label.text);
|
|
535
|
+
}
|
|
536
|
+
}
|
|
537
|
+
}
|
|
538
|
+
// Build region polygons from merged cells
|
|
539
|
+
const regions = [];
|
|
540
|
+
for (let region_id = 0; region_id < next_region_id; region_id++) {
|
|
541
|
+
const name = region_labels.get(region_id) ?? `Region ${region_id + 1}`;
|
|
542
|
+
// Slug can be empty for non-ASCII labels like "α + β" — fall back to region_N
|
|
543
|
+
const slug = name.toLowerCase().replace(/[^a-z0-9]+/g, `_`).replace(/^_|_$/g, ``) || `region_${region_id + 1}`;
|
|
544
|
+
// Find bounding box of all cells in this region
|
|
545
|
+
let min_x = Infinity;
|
|
546
|
+
let max_x = -Infinity;
|
|
547
|
+
let min_y = Infinity;
|
|
548
|
+
let max_y = -Infinity;
|
|
549
|
+
for (let col = 0; col < n_cols; col++) {
|
|
550
|
+
for (let row = 0; row < n_rows; row++) {
|
|
551
|
+
if (cell_ids[col][row] !== region_id)
|
|
552
|
+
continue;
|
|
553
|
+
min_x = Math.min(min_x, x_coords[col]);
|
|
554
|
+
max_x = Math.max(max_x, x_coords[col + 1]);
|
|
555
|
+
min_y = Math.min(min_y, y_coords[row]);
|
|
556
|
+
max_y = Math.max(max_y, y_coords[row + 1]);
|
|
557
|
+
}
|
|
558
|
+
}
|
|
559
|
+
if (min_x === Infinity)
|
|
560
|
+
continue;
|
|
561
|
+
const bounds = [
|
|
562
|
+
[round(min_x), round(min_y)],
|
|
563
|
+
[round(max_x), round(min_y)],
|
|
564
|
+
[round(max_x), round(max_y)],
|
|
565
|
+
[round(min_x), round(max_y)],
|
|
566
|
+
];
|
|
567
|
+
regions.push({
|
|
568
|
+
id: slug,
|
|
569
|
+
name,
|
|
570
|
+
color: TWO_PHASE_COLORS[region_id % TWO_PHASE_COLORS.length],
|
|
571
|
+
bounds,
|
|
572
|
+
});
|
|
573
|
+
}
|
|
574
|
+
return regions;
|
|
575
|
+
}
|
|
576
|
+
// Flood-fill connected cells that share an open edge
|
|
577
|
+
function flood_fill(cell_ids, h_walls, v_walls, start_col, start_row, n_cols, n_rows, region_id) {
|
|
578
|
+
const stack = [[start_col, start_row]];
|
|
579
|
+
for (let item = stack.pop(); item; item = stack.pop()) {
|
|
580
|
+
const [col, row] = item;
|
|
581
|
+
if (col < 0 || col >= n_cols || row < 0 || row >= n_rows)
|
|
582
|
+
continue;
|
|
583
|
+
if (cell_ids[col][row] !== -1)
|
|
584
|
+
continue;
|
|
585
|
+
cell_ids[col][row] = region_id;
|
|
586
|
+
// Check neighbors (no wall between them)
|
|
587
|
+
// Left neighbor: check v_walls[col][row]
|
|
588
|
+
if (col > 0 && !v_walls[col][row])
|
|
589
|
+
stack.push([col - 1, row]);
|
|
590
|
+
// Right neighbor: check v_walls[col+1][row]
|
|
591
|
+
if (col < n_cols - 1 && !v_walls[col + 1][row])
|
|
592
|
+
stack.push([col + 1, row]);
|
|
593
|
+
// Bottom neighbor: check h_walls[col][row]
|
|
594
|
+
if (row > 0 && !h_walls[col][row])
|
|
595
|
+
stack.push([col, row - 1]);
|
|
596
|
+
// Top neighbor: check h_walls[col][row+1]
|
|
597
|
+
if (row < n_rows - 1 && !h_walls[col][row + 1])
|
|
598
|
+
stack.push([col, row + 1]);
|
|
599
|
+
}
|
|
600
|
+
}
|
|
601
|
+
// === Curve Generation ===
|
|
602
|
+
// Generate named curves from boundaries for the DiagramInput format
|
|
603
|
+
function generate_curves(boundaries) {
|
|
604
|
+
const curves = {};
|
|
605
|
+
const counts = { vertical: 0, horizontal: 0 };
|
|
606
|
+
for (const bnd of boundaries) {
|
|
607
|
+
const is_vert = bnd.orientation === `vertical`;
|
|
608
|
+
const name = `${bnd.orientation}_${counts[bnd.orientation]++}`;
|
|
609
|
+
curves[name] = [
|
|
610
|
+
[round(bnd.x1), round(bnd.y1)],
|
|
611
|
+
[round(is_vert ? bnd.x1 : bnd.x2), round(is_vert ? bnd.y2 : bnd.y1)],
|
|
612
|
+
];
|
|
613
|
+
}
|
|
614
|
+
return curves;
|
|
615
|
+
}
|
|
616
|
+
// === Main Entry Point ===
|
|
617
|
+
// Parse a phase diagram SVG string and return a DiagramInput
|
|
618
|
+
export function parse_phase_diagram_svg(svg_string) {
|
|
619
|
+
const parser = new DOMParser();
|
|
620
|
+
const doc = parser.parseFromString(svg_string, `image/svg+xml`);
|
|
621
|
+
// Check for parse errors
|
|
622
|
+
const parse_error = doc.querySelector(`parsererror`);
|
|
623
|
+
if (parse_error) {
|
|
624
|
+
throw new Error(`Invalid SVG: ${parse_error.textContent}`);
|
|
625
|
+
}
|
|
626
|
+
const format = detect_format(doc);
|
|
627
|
+
const { x_scale, y_scale } = extract_axis_scales(doc, format);
|
|
628
|
+
const boundaries = extract_boundaries(doc, format, x_scale, y_scale);
|
|
629
|
+
const labels = extract_labels(doc, format);
|
|
630
|
+
const components = format === `mpds`
|
|
631
|
+
? infer_mpds_components(doc)
|
|
632
|
+
: infer_components(labels);
|
|
633
|
+
if (boundaries.length === 0) {
|
|
634
|
+
throw new Error(`No phase boundaries found in SVG`);
|
|
635
|
+
}
|
|
636
|
+
const regions = infer_regions(boundaries, labels, x_scale, y_scale);
|
|
637
|
+
const curves = generate_curves(boundaries);
|
|
638
|
+
// MPDS SVGs use °C for temperature
|
|
639
|
+
const temp_unit = format === `mpds` ? `°C` : `K`;
|
|
640
|
+
return {
|
|
641
|
+
meta: {
|
|
642
|
+
components,
|
|
643
|
+
temp_range: y_scale.domain,
|
|
644
|
+
temp_unit,
|
|
645
|
+
comp_unit: `fraction`,
|
|
646
|
+
title: `Imported Phase Diagram`,
|
|
647
|
+
},
|
|
648
|
+
curves,
|
|
649
|
+
regions,
|
|
650
|
+
};
|
|
651
|
+
}
|
|
652
|
+
// Infer components from MPDS SVGs by finding element-like text content
|
|
653
|
+
// MPDS SVGs have readable element names as text (e.g., "Cu", "Si")
|
|
654
|
+
function infer_mpds_components(doc) {
|
|
655
|
+
const elements = new Set();
|
|
656
|
+
for (const text_el of Array.from(doc.querySelectorAll(`text`))) {
|
|
657
|
+
const content = text_el.textContent?.trim() ?? ``;
|
|
658
|
+
// Match single/two-letter element symbols, exclude common non-element text
|
|
659
|
+
if (/^[A-Z][a-z]?$/.test(content) && content !== `L` && content !== `M`) {
|
|
660
|
+
elements.add(content);
|
|
661
|
+
}
|
|
662
|
+
}
|
|
663
|
+
const unique = [...elements];
|
|
664
|
+
return [unique[0] ?? `A`, unique[1] ?? `B`];
|
|
665
|
+
}
|
|
666
|
+
// === Utility Functions ===
|
|
667
|
+
// Parse stroke-width from style attribute or direct attribute (returns 0 if not found)
|
|
668
|
+
function parse_stroke_width(el) {
|
|
669
|
+
const style_match = (el.getAttribute(`style`) ?? ``).match(/stroke-width:\s*([\d.]+)/);
|
|
670
|
+
if (style_match)
|
|
671
|
+
return parseFloat(style_match[1]);
|
|
672
|
+
const attr = el.getAttribute(`stroke-width`);
|
|
673
|
+
return attr ? parseFloat(attr) || 0 : 0;
|
|
674
|
+
}
|
|
675
|
+
// Parse a float attribute from an SVG element
|
|
676
|
+
function parse_float_attr(el, attr) {
|
|
677
|
+
const val = el.getAttribute(attr);
|
|
678
|
+
if (val === null)
|
|
679
|
+
return null;
|
|
680
|
+
const parsed = parseFloat(val);
|
|
681
|
+
return isNaN(parsed) ? null : parsed;
|
|
682
|
+
}
|
|
683
|
+
// Extract a number from XML comment nodes inside a group element
|
|
684
|
+
function extract_comment_number(group) {
|
|
685
|
+
const walker = group.ownerDocument.createTreeWalker(group, NodeFilter.SHOW_COMMENT);
|
|
686
|
+
let node;
|
|
687
|
+
while ((node = walker.nextNode())) {
|
|
688
|
+
const value = parseFloat(node.textContent?.trim() ?? ``);
|
|
689
|
+
if (!isNaN(value))
|
|
690
|
+
return value;
|
|
691
|
+
}
|
|
692
|
+
return null;
|
|
693
|
+
}
|
|
694
|
+
// Find the first XML comment text inside or preceding a group
|
|
695
|
+
function find_comment_text(group) {
|
|
696
|
+
// Check comment nodes inside the group
|
|
697
|
+
const walker = group.ownerDocument.createTreeWalker(group, NodeFilter.SHOW_COMMENT);
|
|
698
|
+
let node;
|
|
699
|
+
while ((node = walker.nextNode())) {
|
|
700
|
+
const text = node.textContent?.trim();
|
|
701
|
+
if (text && text.length > 1)
|
|
702
|
+
return text;
|
|
703
|
+
}
|
|
704
|
+
// Check preceding sibling comments
|
|
705
|
+
let sibling = group.previousSibling;
|
|
706
|
+
while (sibling) {
|
|
707
|
+
if (sibling.nodeType === Node.COMMENT_NODE) {
|
|
708
|
+
const text = sibling.textContent?.trim();
|
|
709
|
+
if (text && text.length > 1)
|
|
710
|
+
return text;
|
|
711
|
+
}
|
|
712
|
+
if (sibling.nodeType === Node.ELEMENT_NODE)
|
|
713
|
+
break; // stop at previous element
|
|
714
|
+
sibling = sibling.previousSibling;
|
|
715
|
+
}
|
|
716
|
+
return null;
|
|
717
|
+
}
|
|
718
|
+
// Clean LaTeX subscript notation: "La$_2$NiO$_4$" -> "La2NiO4"
|
|
719
|
+
function clean_latex(text) {
|
|
720
|
+
return text
|
|
721
|
+
.replace(/\$_\{([^}]*)\}\$/g, `$1`) // $_{10}$ -> 10
|
|
722
|
+
.replace(/\$_(\d)\$/g, `$1`) // $_2$ -> 2
|
|
723
|
+
.replace(/\$/g, ``) // remove any remaining $
|
|
724
|
+
.replace(/\s+/g, ` `)
|
|
725
|
+
.trim();
|
|
726
|
+
}
|
|
727
|
+
// Parse SVG path data into absolute line segments [x1,y1,x2,y2]
|
|
728
|
+
// Handles all SVG path commands (M/L/H/V/C/S/Q/T/A/Z, both absolute and relative)
|
|
729
|
+
// Curves (C/S/Q/T/A) are approximated as straight lines from start to endpoint
|
|
730
|
+
// After M/m, implicit coordinates are treated as L/l per SVG spec
|
|
731
|
+
function parse_path_segments(d) {
|
|
732
|
+
const segments = [];
|
|
733
|
+
let [cursor_x, cursor_y] = [0, 0];
|
|
734
|
+
let [start_x, start_y] = [0, 0];
|
|
735
|
+
let last_cmd = ``;
|
|
736
|
+
// Numbers to skip before the endpoint x,y for each curve command
|
|
737
|
+
const curve_skip = { C: 4, S: 2, Q: 2, T: 0, A: 5 };
|
|
738
|
+
const tokens = d.match(/[MmLlHhVvCcSsQqTtAaZz]|[-+]?[\d]*\.?[\d]+(?:[eE][-+]?\d+)?/g);
|
|
739
|
+
if (!tokens)
|
|
740
|
+
return segments;
|
|
741
|
+
let idx = 0;
|
|
742
|
+
const peek = () => tokens[idx];
|
|
743
|
+
const next_num = () => parseFloat(tokens[idx++] ?? `0`);
|
|
744
|
+
while (idx < tokens.length) {
|
|
745
|
+
let cmd = peek() ?? ``;
|
|
746
|
+
if (cmd.length === 1 && /[A-Za-z]/.test(cmd)) {
|
|
747
|
+
idx++;
|
|
748
|
+
last_cmd = cmd;
|
|
749
|
+
}
|
|
750
|
+
else {
|
|
751
|
+
// Implicit repeat: after M→L, after m→l, others repeat themselves
|
|
752
|
+
cmd = last_cmd === `M` ? `L` : last_cmd === `m` ? `l` : last_cmd;
|
|
753
|
+
}
|
|
754
|
+
if (cmd === `M` || cmd === `m`) {
|
|
755
|
+
const next_x = next_num();
|
|
756
|
+
const next_y = next_num();
|
|
757
|
+
cursor_x = cmd === `M` ? next_x : cursor_x + next_x;
|
|
758
|
+
cursor_y = cmd === `M` ? next_y : cursor_y + next_y;
|
|
759
|
+
start_x = cursor_x;
|
|
760
|
+
start_y = cursor_y;
|
|
761
|
+
last_cmd = cmd;
|
|
762
|
+
}
|
|
763
|
+
else if (cmd === `L` || cmd === `l`) {
|
|
764
|
+
const next_x = next_num();
|
|
765
|
+
const next_y = next_num();
|
|
766
|
+
const x2 = cmd === `L` ? next_x : cursor_x + next_x;
|
|
767
|
+
const y2 = cmd === `L` ? next_y : cursor_y + next_y;
|
|
768
|
+
segments.push([cursor_x, cursor_y, x2, y2]);
|
|
769
|
+
cursor_x = x2;
|
|
770
|
+
cursor_y = y2;
|
|
771
|
+
}
|
|
772
|
+
else if (cmd === `H` || cmd === `h`) {
|
|
773
|
+
const next_x = next_num();
|
|
774
|
+
const x2 = cmd === `H` ? next_x : cursor_x + next_x;
|
|
775
|
+
segments.push([cursor_x, cursor_y, x2, cursor_y]);
|
|
776
|
+
cursor_x = x2;
|
|
777
|
+
}
|
|
778
|
+
else if (cmd === `V` || cmd === `v`) {
|
|
779
|
+
const next_y = next_num();
|
|
780
|
+
const y2 = cmd === `V` ? next_y : cursor_y + next_y;
|
|
781
|
+
segments.push([cursor_x, cursor_y, cursor_x, y2]);
|
|
782
|
+
cursor_y = y2;
|
|
783
|
+
}
|
|
784
|
+
else if (cmd === `Z` || cmd === `z`) {
|
|
785
|
+
if (cursor_x !== start_x || cursor_y !== start_y) {
|
|
786
|
+
segments.push([cursor_x, cursor_y, start_x, start_y]);
|
|
787
|
+
}
|
|
788
|
+
cursor_x = start_x;
|
|
789
|
+
cursor_y = start_y;
|
|
790
|
+
}
|
|
791
|
+
else {
|
|
792
|
+
// Curve commands: skip control/arc params, use endpoint as straight line
|
|
793
|
+
// C=4 skip, S=2, Q=2, T=0, A=5 (numbers before the final x,y endpoint)
|
|
794
|
+
const upper = cmd.toUpperCase();
|
|
795
|
+
const skip = curve_skip[upper];
|
|
796
|
+
if (skip !== undefined) {
|
|
797
|
+
for (let _skip = 0; _skip < skip; _skip++)
|
|
798
|
+
next_num();
|
|
799
|
+
const end_x = next_num();
|
|
800
|
+
const end_y = next_num();
|
|
801
|
+
const x2 = cmd === upper ? end_x : cursor_x + end_x;
|
|
802
|
+
const y2 = cmd === upper ? end_y : cursor_y + end_y;
|
|
803
|
+
segments.push([cursor_x, cursor_y, x2, y2]);
|
|
804
|
+
cursor_x = x2;
|
|
805
|
+
cursor_y = y2;
|
|
806
|
+
}
|
|
807
|
+
else {
|
|
808
|
+
idx++; // skip unknown tokens
|
|
809
|
+
}
|
|
810
|
+
}
|
|
811
|
+
}
|
|
812
|
+
return segments;
|
|
813
|
+
}
|
|
814
|
+
// Parse a simple 2-point line path (M...L only). Returns null for multi-segment paths
|
|
815
|
+
// to enforce the single-line contract expected by boundary extraction.
|
|
816
|
+
function parse_ml_path(d) {
|
|
817
|
+
const segments = parse_path_segments(d);
|
|
818
|
+
if (segments.length !== 1)
|
|
819
|
+
return null;
|
|
820
|
+
const [x1, y1, x2, y2] = segments[0];
|
|
821
|
+
return { x1, y1, x2, y2 };
|
|
822
|
+
}
|
|
823
|
+
// Parse translate(x, y) or translate(x) from a transform attribute
|
|
824
|
+
// Single-arg translate uses implicit y=0 per SVG spec
|
|
825
|
+
function parse_translate(el) {
|
|
826
|
+
const match = (el?.getAttribute(`transform`) ?? ``).match(/translate\(\s*([\d.eE+-]+)(?:\s*[,\s]\s*([\d.eE+-]+))?\s*\)/);
|
|
827
|
+
if (!match)
|
|
828
|
+
return null;
|
|
829
|
+
return [parseFloat(match[1]), match[2] ? parseFloat(match[2]) : 0];
|
|
830
|
+
}
|
|
831
|
+
// Get translate X or Y from a group's transform attribute
|
|
832
|
+
function get_group_translate(el, axis) {
|
|
833
|
+
const coords = parse_translate(el);
|
|
834
|
+
return coords ? coords[axis === `x` ? 0 : 1] : 0;
|
|
835
|
+
}
|
|
836
|
+
// Collect unique sorted values from an array (with epsilon deduplication)
|
|
837
|
+
function collect_unique_sorted(values) {
|
|
838
|
+
if (values.length === 0)
|
|
839
|
+
return [];
|
|
840
|
+
const sorted = [...values].sort((a, b) => a - b);
|
|
841
|
+
const unique = [sorted[0]];
|
|
842
|
+
for (let idx = 1; idx < sorted.length; idx++) {
|
|
843
|
+
if (Math.abs(sorted[idx] - unique[unique.length - 1]) > 1e-4) {
|
|
844
|
+
unique.push(sorted[idx]);
|
|
845
|
+
}
|
|
846
|
+
}
|
|
847
|
+
return unique;
|
|
848
|
+
}
|
|
849
|
+
// Find the index of a coordinate in a sorted array (with epsilon tolerance)
|
|
850
|
+
function find_coord_index(coords, value) {
|
|
851
|
+
for (let idx = 0; idx < coords.length; idx++) {
|
|
852
|
+
if (Math.abs(coords[idx] - value) < 1e-4)
|
|
853
|
+
return idx;
|
|
854
|
+
}
|
|
855
|
+
return -1;
|
|
856
|
+
}
|
|
857
|
+
// Find which cell interval a value falls into
|
|
858
|
+
function find_cell_index(coords, value) {
|
|
859
|
+
for (let idx = 0; idx < coords.length - 1; idx++) {
|
|
860
|
+
if (value >= coords[idx] - 1e-4 && value <= coords[idx + 1] + 1e-4) {
|
|
861
|
+
return idx;
|
|
862
|
+
}
|
|
863
|
+
}
|
|
864
|
+
return -1;
|
|
865
|
+
}
|