react-cheminfo 0.22.0 → 0.24.0
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/README.md +51 -28
- package/lib/chrome/ui/HeaderToggle.d.ts +52 -0
- package/lib/chrome/ui/HeaderToggle.d.ts.map +1 -0
- package/lib/chrome/ui/HeaderToggle.js +31 -0
- package/lib/chrome/ui/HeaderToggle.js.map +1 -0
- package/lib/chrome/ui/index.d.ts +2 -0
- package/lib/chrome/ui/index.d.ts.map +1 -1
- package/lib/chrome/ui/index.js +1 -0
- package/lib/chrome/ui/index.js.map +1 -1
- package/lib/citation/core/gfn2Paper.d.ts +10 -0
- package/lib/citation/core/gfn2Paper.d.ts.map +1 -0
- package/lib/citation/core/gfn2Paper.js +28 -0
- package/lib/citation/core/gfn2Paper.js.map +1 -0
- package/lib/citation/core/index.d.ts +1 -0
- package/lib/citation/core/index.d.ts.map +1 -1
- package/lib/citation/core/index.js +1 -0
- package/lib/citation/core/index.js.map +1 -1
- package/lib/clipboard/ui/ClickToCopy.d.ts +8 -7
- package/lib/clipboard/ui/ClickToCopy.d.ts.map +1 -1
- package/lib/clipboard/ui/ClickToCopy.js +3 -3
- package/lib/clipboard/ui/ClickToCopy.js.map +1 -1
- package/lib/conformers.d.ts +27 -0
- package/lib/conformers.d.ts.map +1 -0
- package/lib/conformers.js +19 -0
- package/lib/conformers.js.map +1 -0
- package/lib/core.d.ts +1 -0
- package/lib/core.d.ts.map +1 -1
- package/lib/core.js +1 -0
- package/lib/core.js.map +1 -1
- package/lib/credits/core/credits.d.ts +12 -0
- package/lib/credits/core/credits.d.ts.map +1 -1
- package/lib/credits/core/credits.js +14 -0
- package/lib/credits/core/credits.js.map +1 -1
- package/lib/ecosystem/core/index.d.ts +1 -1
- package/lib/ecosystem/core/index.d.ts.map +1 -1
- package/lib/ecosystem/core/index.js.map +1 -1
- package/lib/ecosystem/core/sites.d.ts +11 -1
- package/lib/ecosystem/core/sites.d.ts.map +1 -1
- package/lib/ecosystem/core/sites.js +7 -2
- package/lib/ecosystem/core/sites.js.map +1 -1
- package/lib/ecosystem/ui/EcosystemLinks.d.ts.map +1 -1
- package/lib/ecosystem/ui/EcosystemLinks.js +3 -1
- package/lib/ecosystem/ui/EcosystemLinks.js.map +1 -1
- package/lib/ecosystem/ui/SiteTile.d.ts.map +1 -1
- package/lib/ecosystem/ui/SiteTile.js +3 -1
- package/lib/ecosystem/ui/SiteTile.js.map +1 -1
- package/lib/format/core/index.d.ts +1 -1
- package/lib/format/core/index.d.ts.map +1 -1
- package/lib/format/core/index.js +1 -1
- package/lib/format/core/index.js.map +1 -1
- package/lib/format/core/words.d.ts +9 -0
- package/lib/format/core/words.d.ts.map +1 -1
- package/lib/format/core/words.js +16 -0
- package/lib/format/core/words.js.map +1 -1
- package/lib/language/core/index.d.ts +3 -0
- package/lib/language/core/index.d.ts.map +1 -0
- package/lib/language/core/index.js +3 -0
- package/lib/language/core/index.js.map +1 -0
- package/lib/language/core/languageName.d.ts +8 -0
- package/lib/language/core/languageName.d.ts.map +1 -0
- package/lib/language/core/languageName.js +16 -0
- package/lib/language/core/languageName.js.map +1 -0
- package/lib/language/core/languageParam.d.ts +35 -0
- package/lib/language/core/languageParam.d.ts.map +1 -0
- package/lib/language/core/languageParam.js +67 -0
- package/lib/language/core/languageParam.js.map +1 -0
- package/lib/language/ui/SiteLanguage.d.ts +20 -0
- package/lib/language/ui/SiteLanguage.d.ts.map +1 -0
- package/lib/language/ui/SiteLanguage.js +14 -0
- package/lib/language/ui/SiteLanguage.js.map +1 -0
- package/lib/language/ui/index.d.ts +4 -0
- package/lib/language/ui/index.d.ts.map +1 -0
- package/lib/language/ui/index.js +3 -0
- package/lib/language/ui/index.js.map +1 -0
- package/lib/language/ui/siteLanguageContext.d.ts +12 -0
- package/lib/language/ui/siteLanguageContext.d.ts.map +1 -0
- package/lib/language/ui/siteLanguageContext.js +19 -0
- package/lib/language/ui/siteLanguageContext.js.map +1 -0
- package/lib/orbital/core/atomicOrbitals.d.ts +9 -1
- package/lib/orbital/core/atomicOrbitals.d.ts.map +1 -1
- package/lib/orbital/core/atomicOrbitals.js +7 -0
- package/lib/orbital/core/atomicOrbitals.js.map +1 -1
- package/lib/orbital/core/hydrogenic.d.ts +2 -1
- package/lib/orbital/core/hydrogenic.d.ts.map +1 -1
- package/lib/orbital/core/hydrogenic.js +2 -1
- package/lib/orbital/core/hydrogenic.js.map +1 -1
- package/lib/orbital/core/index.d.ts +1 -0
- package/lib/orbital/core/index.d.ts.map +1 -1
- package/lib/orbital/core/index.js +1 -0
- package/lib/orbital/core/index.js.map +1 -1
- package/lib/orbital/core/slaterEnergy.d.ts +35 -0
- package/lib/orbital/core/slaterEnergy.d.ts.map +1 -0
- package/lib/orbital/core/slaterEnergy.js +66 -0
- package/lib/orbital/core/slaterEnergy.js.map +1 -0
- package/lib/overlay/core/index.d.ts +2 -2
- package/lib/overlay/core/index.d.ts.map +1 -1
- package/lib/overlay/core/index.js +1 -1
- package/lib/overlay/core/index.js.map +1 -1
- package/lib/overlay/core/overlayMarks.d.ts +20 -5
- package/lib/overlay/core/overlayMarks.d.ts.map +1 -1
- package/lib/overlay/core/overlayMarks.js +31 -5
- package/lib/overlay/core/overlayMarks.js.map +1 -1
- package/lib/overlay/ui/OverlayLegendMark.js +5 -0
- package/lib/overlay/ui/OverlayLegendMark.js.map +1 -1
- package/lib/projection/core/index.d.ts +4 -4
- package/lib/projection/core/index.d.ts.map +1 -1
- package/lib/projection/core/index.js +2 -2
- package/lib/projection/core/index.js.map +1 -1
- package/lib/projection/core/projectionCopy.d.ts +2 -0
- package/lib/projection/core/projectionCopy.d.ts.map +1 -1
- package/lib/projection/core/projectionCopy.js +1 -0
- package/lib/projection/core/projectionCopy.js.map +1 -1
- package/lib/projection/core/projectionGroupings.d.ts +44 -0
- package/lib/projection/core/projectionGroupings.d.ts.map +1 -0
- package/lib/projection/core/projectionGroupings.js +132 -0
- package/lib/projection/core/projectionGroupings.js.map +1 -0
- package/lib/projection/core/projectionOptions.d.ts +16 -6
- package/lib/projection/core/projectionOptions.d.ts.map +1 -1
- package/lib/projection/core/projectionOptions.js +7 -1
- package/lib/projection/core/projectionOptions.js.map +1 -1
- package/lib/projection/core/projectionPanelWords.d.ts +6 -0
- package/lib/projection/core/projectionPanelWords.d.ts.map +1 -1
- package/lib/projection/core/projectionPanelWords.js +4 -0
- package/lib/projection/core/projectionPanelWords.js.map +1 -1
- package/lib/projection/core/projectionSamples.d.ts +63 -32
- package/lib/projection/core/projectionSamples.d.ts.map +1 -1
- package/lib/projection/core/projectionSamples.js +1 -80
- package/lib/projection/core/projectionSamples.js.map +1 -1
- package/lib/projection/core/projectionStrings.d.ts +2 -0
- package/lib/projection/core/projectionStrings.d.ts.map +1 -1
- package/lib/projection/core/projectionStrings.js +10 -1
- package/lib/projection/core/projectionStrings.js.map +1 -1
- package/lib/projection/core/resolveProjectionOptions.d.ts +8 -3
- package/lib/projection/core/resolveProjectionOptions.d.ts.map +1 -1
- package/lib/projection/core/resolveProjectionOptions.js +58 -5
- package/lib/projection/core/resolveProjectionOptions.js.map +1 -1
- package/lib/projection/ui/ProjectionBar.d.ts +1 -1
- package/lib/projection/ui/ProjectionBar.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionBar.js +3 -1
- package/lib/projection/ui/ProjectionBar.js.map +1 -1
- package/lib/projection/ui/ProjectionGroupingPickers.d.ts +38 -0
- package/lib/projection/ui/ProjectionGroupingPickers.d.ts.map +1 -0
- package/lib/projection/ui/ProjectionGroupingPickers.js +33 -0
- package/lib/projection/ui/ProjectionGroupingPickers.js.map +1 -0
- package/lib/projection/ui/ProjectionMapControls.d.ts +6 -7
- package/lib/projection/ui/ProjectionMapControls.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionMapControls.js +11 -9
- package/lib/projection/ui/ProjectionMapControls.js.map +1 -1
- package/lib/projection/ui/ProjectionMapLegend.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionMapLegend.js +1 -1
- package/lib/projection/ui/ProjectionMapLegend.js.map +1 -1
- package/lib/projection/ui/ProjectionMapMore.d.ts +2 -2
- package/lib/projection/ui/ProjectionMapMore.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionMapMore.js +7 -5
- package/lib/projection/ui/ProjectionMapMore.js.map +1 -1
- package/lib/projection/ui/ProjectionMapTab.d.ts +15 -6
- package/lib/projection/ui/ProjectionMapTab.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionMapTab.js +11 -7
- package/lib/projection/ui/ProjectionMapTab.js.map +1 -1
- package/lib/projection/ui/ProjectionPairsMore.d.ts +3 -7
- package/lib/projection/ui/ProjectionPairsMore.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionPairsMore.js +4 -5
- package/lib/projection/ui/ProjectionPairsMore.js.map +1 -1
- package/lib/projection/ui/ProjectionPairsTab.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionPairsTab.js +2 -2
- package/lib/projection/ui/ProjectionPairsTab.js.map +1 -1
- package/lib/projection/ui/ProjectionPanel.d.ts +1 -1
- package/lib/projection/ui/ProjectionPanel.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionPanel.js +1 -1
- package/lib/projection/ui/ProjectionPanel.js.map +1 -1
- package/lib/projection/ui/ProjectionReadout.d.ts +7 -1
- package/lib/projection/ui/ProjectionReadout.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionReadout.js +19 -7
- package/lib/projection/ui/ProjectionReadout.js.map +1 -1
- package/lib/projection/ui/ProjectionSpaceControls.d.ts +3 -5
- package/lib/projection/ui/ProjectionSpaceControls.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionSpaceControls.js +9 -7
- package/lib/projection/ui/ProjectionSpaceControls.js.map +1 -1
- package/lib/projection/ui/ProjectionSpaceMore.d.ts +2 -2
- package/lib/projection/ui/ProjectionSpaceMore.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionSpaceMore.js +5 -4
- package/lib/projection/ui/ProjectionSpaceMore.js.map +1 -1
- package/lib/projection/ui/ProjectionSpaceTab.d.ts +11 -3
- package/lib/projection/ui/ProjectionSpaceTab.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionSpaceTab.js +7 -4
- package/lib/projection/ui/ProjectionSpaceTab.js.map +1 -1
- package/lib/projection/ui/ProjectionViewer.d.ts.map +1 -1
- package/lib/projection/ui/ProjectionViewer.js +1 -0
- package/lib/projection/ui/ProjectionViewer.js.map +1 -1
- package/lib/projection/ui/projectionBarReadings.d.ts +4 -1
- package/lib/projection/ui/projectionBarReadings.d.ts.map +1 -1
- package/lib/projection/ui/projectionBarReadings.js +14 -4
- package/lib/projection/ui/projectionBarReadings.js.map +1 -1
- package/lib/projection/ui/projectionBarSlots.d.ts +4 -2
- package/lib/projection/ui/projectionBarSlots.d.ts.map +1 -1
- package/lib/projection/ui/projectionBarSlots.js +3 -7
- package/lib/projection/ui/projectionBarSlots.js.map +1 -1
- package/lib/projection/ui/projectionMapChoices.d.ts +31 -6
- package/lib/projection/ui/projectionMapChoices.d.ts.map +1 -1
- package/lib/projection/ui/projectionMapChoices.js +58 -9
- package/lib/projection/ui/projectionMapChoices.js.map +1 -1
- package/lib/projection/ui/projectionMapChrome.d.ts +3 -9
- package/lib/projection/ui/projectionMapChrome.d.ts.map +1 -1
- package/lib/projection/ui/projectionMapChrome.js +41 -27
- package/lib/projection/ui/projectionMapChrome.js.map +1 -1
- package/lib/projection/ui/projectionMapCorner.d.ts +25 -0
- package/lib/projection/ui/projectionMapCorner.d.ts.map +1 -0
- package/lib/projection/ui/projectionMapCorner.js +46 -0
- package/lib/projection/ui/projectionMapCorner.js.map +1 -0
- package/lib/projection/ui/projectionMapModel.d.ts +9 -18
- package/lib/projection/ui/projectionMapModel.d.ts.map +1 -1
- package/lib/projection/ui/projectionMapModel.js +14 -39
- package/lib/projection/ui/projectionMapModel.js.map +1 -1
- package/lib/projection/ui/projectionMapView.d.ts +3 -1
- package/lib/projection/ui/projectionMapView.d.ts.map +1 -1
- package/lib/projection/ui/projectionMapView.js +9 -4
- package/lib/projection/ui/projectionMapView.js.map +1 -1
- package/lib/projection/ui/projectionSelectionSentence.d.ts +10 -0
- package/lib/projection/ui/projectionSelectionSentence.d.ts.map +1 -0
- package/lib/projection/ui/projectionSelectionSentence.js +18 -0
- package/lib/projection/ui/projectionSelectionSentence.js.map +1 -0
- package/lib/projection/ui/projectionStateApi.d.ts +47 -0
- package/lib/projection/ui/projectionStateApi.d.ts.map +1 -0
- package/lib/projection/ui/projectionStateApi.js +9 -0
- package/lib/projection/ui/projectionStateApi.js.map +1 -0
- package/lib/projection/ui/projectionTabModels.js +1 -1
- package/lib/projection/ui/projectionTabModels.js.map +1 -1
- package/lib/projection/ui/useProjectionState.d.ts +1 -29
- package/lib/projection/ui/useProjectionState.d.ts.map +1 -1
- package/lib/projection/ui/useProjectionState.js +13 -5
- package/lib/projection/ui/useProjectionState.js.map +1 -1
- package/lib/scatter/core/index.d.ts +1 -0
- package/lib/scatter/core/index.d.ts.map +1 -1
- package/lib/scatter/core/index.js +1 -0
- package/lib/scatter/core/index.js.map +1 -1
- package/lib/scatter/core/pointShape.d.ts +18 -0
- package/lib/scatter/core/pointShape.d.ts.map +1 -0
- package/lib/scatter/core/pointShape.js +70 -0
- package/lib/scatter/core/pointShape.js.map +1 -0
- package/lib/scatter/ui/ScatterPlot.d.ts.map +1 -1
- package/lib/scatter/ui/ScatterPlot.js +3 -2
- package/lib/scatter/ui/ScatterPlot.js.map +1 -1
- package/lib/scatter/ui/ScatterPointLayer.d.ts +14 -1
- package/lib/scatter/ui/ScatterPointLayer.d.ts.map +1 -1
- package/lib/scatter/ui/ScatterPointLayer.js +15 -3
- package/lib/scatter/ui/ScatterPointLayer.js.map +1 -1
- package/lib/scatter/ui/scatterFigureProps.d.ts +13 -0
- package/lib/scatter/ui/scatterFigureProps.d.ts.map +1 -1
- package/lib/scatter/ui/scatterMarkGlyph.d.ts +2 -1
- package/lib/scatter/ui/scatterMarkGlyph.d.ts.map +1 -1
- package/lib/scatter/ui/scatterMarkGlyph.js +7 -1
- package/lib/scatter/ui/scatterMarkGlyph.js.map +1 -1
- package/lib/scatter3d/ui/ScatterCloud.d.ts.map +1 -1
- package/lib/scatter3d/ui/ScatterCloud.js +2 -1
- package/lib/scatter3d/ui/ScatterCloud.js.map +1 -1
- package/lib/shared/ui/MenuButton.d.ts +3 -2
- package/lib/shared/ui/MenuButton.d.ts.map +1 -1
- package/lib/shared/ui/MenuButton.js +1 -1
- package/lib/shared/ui/MenuButton.js.map +1 -1
- package/lib/structure/core/conformerMinimise.d.ts +36 -0
- package/lib/structure/core/conformerMinimise.d.ts.map +1 -0
- package/lib/structure/core/conformerMinimise.js +81 -0
- package/lib/structure/core/conformerMinimise.js.map +1 -0
- package/lib/structure/core/conformerMinimum.d.ts +62 -0
- package/lib/structure/core/conformerMinimum.d.ts.map +1 -0
- package/lib/structure/core/conformerMinimum.js +90 -0
- package/lib/structure/core/conformerMinimum.js.map +1 -0
- package/lib/structure/core/conformerOptions.d.ts +62 -0
- package/lib/structure/core/conformerOptions.d.ts.map +1 -0
- package/lib/structure/core/conformerOptions.js +83 -0
- package/lib/structure/core/conformerOptions.js.map +1 -0
- package/lib/structure/core/conformerRefine.d.ts +104 -0
- package/lib/structure/core/conformerRefine.d.ts.map +1 -0
- package/lib/structure/core/conformerRefine.js +130 -0
- package/lib/structure/core/conformerRefine.js.map +1 -0
- package/lib/structure/core/conformerRefineRank.d.ts +36 -0
- package/lib/structure/core/conformerRefineRank.d.ts.map +1 -0
- package/lib/structure/core/conformerRefineRank.js +69 -0
- package/lib/structure/core/conformerRefineRank.js.map +1 -0
- package/lib/structure/core/conformerSession.d.ts +50 -0
- package/lib/structure/core/conformerSession.d.ts.map +1 -0
- package/lib/structure/core/conformerSession.js +88 -0
- package/lib/structure/core/conformerSession.js.map +1 -0
- package/lib/structure/core/conformerShape.d.ts +36 -0
- package/lib/structure/core/conformerShape.d.ts.map +1 -0
- package/lib/structure/core/conformerShape.js +150 -0
- package/lib/structure/core/conformerShape.js.map +1 -0
- package/lib/structure/core/conformers.d.ts +107 -0
- package/lib/structure/core/conformers.d.ts.map +1 -0
- package/lib/structure/core/conformers.js +149 -0
- package/lib/structure/core/conformers.js.map +1 -0
- package/lib/structure/core/geometryRelaxer.d.ts +66 -0
- package/lib/structure/core/geometryRelaxer.d.ts.map +1 -0
- package/lib/structure/core/geometryRelaxer.js +2 -0
- package/lib/structure/core/geometryRelaxer.js.map +1 -0
- package/lib/structure/core/index.d.ts +4 -0
- package/lib/structure/core/index.d.ts.map +1 -1
- package/lib/structure/core/index.js +2 -0
- package/lib/structure/core/index.js.map +1 -1
- package/lib/structure/core/moleculeCoordinates.d.ts +31 -0
- package/lib/structure/core/moleculeCoordinates.d.ts.map +1 -0
- package/lib/structure/core/moleculeCoordinates.js +80 -0
- package/lib/structure/core/moleculeCoordinates.js.map +1 -0
- package/lib/structure/core/molfileExport.d.ts +42 -0
- package/lib/structure/core/molfileExport.d.ts.map +1 -0
- package/lib/structure/core/molfileExport.js +47 -0
- package/lib/structure/core/molfileExport.js.map +1 -0
- package/lib/structure/core/oclResources.d.ts +12 -0
- package/lib/structure/core/oclResources.d.ts.map +1 -0
- package/lib/structure/core/oclResources.js +35 -0
- package/lib/structure/core/oclResources.js.map +1 -0
- package/lib/translate/core/catalog.d.ts +61 -0
- package/lib/translate/core/catalog.d.ts.map +1 -0
- package/lib/translate/core/catalog.js +49 -0
- package/lib/translate/core/catalog.js.map +1 -0
- package/lib/translate/core/checkTranslation.d.ts +32 -0
- package/lib/translate/core/checkTranslation.d.ts.map +1 -0
- package/lib/translate/core/checkTranslation.js +98 -0
- package/lib/translate/core/checkTranslation.js.map +1 -0
- package/lib/translate/core/contribution.d.ts +88 -0
- package/lib/translate/core/contribution.d.ts.map +1 -0
- package/lib/translate/core/contribution.js +14 -0
- package/lib/translate/core/contribution.js.map +1 -0
- package/lib/translate/core/index.d.ts +19 -0
- package/lib/translate/core/index.d.ts.map +1 -0
- package/lib/translate/core/index.js +15 -0
- package/lib/translate/core/index.js.map +1 -0
- package/lib/translate/core/marker.d.ts +45 -0
- package/lib/translate/core/marker.d.ts.map +1 -0
- package/lib/translate/core/marker.js +79 -0
- package/lib/translate/core/marker.js.map +1 -0
- package/lib/translate/core/mergeMessages.d.ts +35 -0
- package/lib/translate/core/mergeMessages.d.ts.map +1 -0
- package/lib/translate/core/mergeMessages.js +69 -0
- package/lib/translate/core/mergeMessages.js.map +1 -0
- package/lib/translate/core/session.d.ts +102 -0
- package/lib/translate/core/session.d.ts.map +1 -0
- package/lib/translate/core/session.js +162 -0
- package/lib/translate/core/session.js.map +1 -0
- package/lib/translate/core/start.d.ts +70 -0
- package/lib/translate/core/start.d.ts.map +1 -0
- package/lib/translate/core/start.js +73 -0
- package/lib/translate/core/start.js.map +1 -0
- package/lib/translate/core/suggestions.d.ts +77 -0
- package/lib/translate/core/suggestions.d.ts.map +1 -0
- package/lib/translate/core/suggestions.js +143 -0
- package/lib/translate/core/suggestions.js.map +1 -0
- package/lib/translate/core/tables.d.ts +100 -0
- package/lib/translate/core/tables.d.ts.map +1 -0
- package/lib/translate/core/tables.js +51 -0
- package/lib/translate/core/tables.js.map +1 -0
- package/lib/translate.d.ts +2 -0
- package/lib/translate.d.ts.map +1 -0
- package/lib/translate.js +6 -0
- package/lib/translate.js.map +1 -0
- package/lib/ui.d.ts +1 -0
- package/lib/ui.d.ts.map +1 -1
- package/lib/ui.js +1 -0
- package/lib/ui.js.map +1 -1
- package/lib/xtb/core/xtbRelaxer.d.ts +61 -0
- package/lib/xtb/core/xtbRelaxer.d.ts.map +1 -0
- package/lib/xtb/core/xtbRelaxer.js +108 -0
- package/lib/xtb/core/xtbRelaxer.js.map +1 -0
- package/lib/xtb.d.ts +11 -0
- package/lib/xtb.d.ts.map +1 -0
- package/lib/xtb.js +10 -0
- package/lib/xtb.js.map +1 -0
- package/package.json +18 -11
- package/src/chrome/ui/HeaderToggle.tsx +100 -0
- package/src/chrome/ui/index.ts +2 -0
- package/src/citation/core/gfn2Paper.ts +32 -0
- package/src/citation/core/index.ts +1 -0
- package/src/clipboard/ui/ClickToCopy.tsx +8 -7
- package/src/conformers.ts +87 -0
- package/src/core.ts +1 -0
- package/src/credits/core/credits.ts +16 -0
- package/src/ecosystem/core/index.ts +1 -0
- package/src/ecosystem/core/sites.ts +20 -2
- package/src/ecosystem/ui/EcosystemLinks.tsx +3 -1
- package/src/ecosystem/ui/SiteTile.tsx +3 -1
- package/src/format/core/index.ts +1 -1
- package/src/format/core/words.ts +19 -0
- package/src/language/core/index.ts +7 -0
- package/src/language/core/languageName.ts +16 -0
- package/src/language/core/languageParam.ts +70 -0
- package/src/language/ui/SiteLanguage.tsx +26 -0
- package/src/language/ui/index.ts +3 -0
- package/src/language/ui/siteLanguageContext.ts +20 -0
- package/src/orbital/core/atomicOrbitals.ts +17 -1
- package/src/orbital/core/hydrogenic.ts +2 -1
- package/src/orbital/core/index.ts +1 -0
- package/src/orbital/core/slaterEnergy.ts +83 -0
- package/src/overlay/core/index.ts +6 -2
- package/src/overlay/core/overlayMarks.ts +51 -6
- package/src/overlay/ui/OverlayLegendMark.tsx +5 -0
- package/src/projection/core/index.ts +11 -3
- package/src/projection/core/projectionCopy.ts +3 -0
- package/src/projection/core/projectionGroupings.ts +174 -0
- package/src/projection/core/projectionOptions.ts +18 -7
- package/src/projection/core/projectionPanelWords.ts +10 -0
- package/src/projection/core/projectionSamples.ts +62 -120
- package/src/projection/core/projectionStrings.ts +12 -1
- package/src/projection/core/resolveProjectionOptions.ts +66 -4
- package/src/projection/ui/ProjectionBar.tsx +4 -2
- package/src/projection/ui/ProjectionGroupingPickers.tsx +91 -0
- package/src/projection/ui/ProjectionMapControls.tsx +29 -32
- package/src/projection/ui/ProjectionMapLegend.tsx +1 -1
- package/src/projection/ui/ProjectionMapMore.tsx +14 -4
- package/src/projection/ui/ProjectionMapTab.tsx +27 -9
- package/src/projection/ui/ProjectionPairsMore.tsx +12 -21
- package/src/projection/ui/ProjectionPairsTab.tsx +5 -2
- package/src/projection/ui/ProjectionPanel.tsx +7 -3
- package/src/projection/ui/ProjectionReadout.tsx +28 -8
- package/src/projection/ui/ProjectionSpaceControls.tsx +20 -27
- package/src/projection/ui/ProjectionSpaceMore.tsx +12 -3
- package/src/projection/ui/ProjectionSpaceTab.tsx +23 -6
- package/src/projection/ui/ProjectionViewer.tsx +1 -0
- package/src/projection/ui/projectionBarReadings.ts +24 -8
- package/src/projection/ui/projectionBarSlots.tsx +10 -9
- package/src/projection/ui/projectionMapChoices.ts +71 -14
- package/src/projection/ui/projectionMapChrome.ts +55 -30
- package/src/projection/ui/projectionMapCorner.ts +67 -0
- package/src/projection/ui/projectionMapModel.ts +20 -59
- package/src/projection/ui/projectionMapView.ts +15 -8
- package/src/projection/ui/projectionSelectionSentence.ts +22 -0
- package/src/projection/ui/projectionStateApi.ts +57 -0
- package/src/projection/ui/projectionTabModels.ts +1 -1
- package/src/projection/ui/useProjectionState.ts +33 -37
- package/src/scatter/core/index.ts +1 -0
- package/src/scatter/core/pointShape.ts +80 -0
- package/src/scatter/ui/ScatterPlot.tsx +4 -1
- package/src/scatter/ui/ScatterPointLayer.tsx +39 -11
- package/src/scatter/ui/scatterFigureProps.ts +13 -0
- package/src/scatter/ui/scatterMarkGlyph.tsx +9 -1
- package/src/scatter3d/ui/ScatterCloud.tsx +3 -0
- package/src/shared/ui/MenuButton.tsx +4 -3
- package/src/structure/core/conformerMinimise.ts +99 -0
- package/src/structure/core/conformerMinimum.ts +125 -0
- package/src/structure/core/conformerOptions.ts +125 -0
- package/src/structure/core/conformerRefine.ts +234 -0
- package/src/structure/core/conformerRefineRank.ts +89 -0
- package/src/structure/core/conformerSession.ts +123 -0
- package/src/structure/core/conformerShape.ts +181 -0
- package/src/structure/core/conformers.ts +282 -0
- package/src/structure/core/geometryRelaxer.ts +71 -0
- package/src/structure/core/index.ts +13 -0
- package/src/structure/core/moleculeCoordinates.ts +93 -0
- package/src/structure/core/molfileExport.ts +62 -0
- package/src/structure/core/oclResources.ts +41 -0
- package/src/translate/core/catalog.ts +83 -0
- package/src/translate/core/checkTranslation.ts +128 -0
- package/src/translate/core/contribution.ts +99 -0
- package/src/translate/core/index.ts +72 -0
- package/src/translate/core/marker.ts +85 -0
- package/src/translate/core/mergeMessages.ts +74 -0
- package/src/translate/core/session.ts +250 -0
- package/src/translate/core/start.ts +121 -0
- package/src/translate/core/suggestions.ts +211 -0
- package/src/translate/core/tables.ts +120 -0
- package/src/translate.ts +5 -0
- package/src/ui.ts +1 -0
- package/src/xtb/core/xtbRelaxer.ts +160 -0
- package/src/xtb.ts +16 -0
- package/styles/chrome.css +61 -30
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@@ -33,8 +33,16 @@ export interface AtomicOrbital {
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effectiveCharge: number;
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/** Shielding `S` those rules produced. */
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shielding: number;
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-
/** `−13.
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+
/** `−13.606 Z_eff²/n²`, electronvolts: one rydberg times `Z_eff²/n²`. */
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energy: number;
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/**
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* Energy to pull this electron off the atom, electronvolts: the difference
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* of Slater total energies between the ion and the atom. `null` when the
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* subshell is empty, there being no electron to remove. This, not
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* {@link AtomicOrbital.energy}, is the number to compare with a measured
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* ionisation energy — see `slaterEnergy.ts`.
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*/
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removalEnergy: number | null;
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/** `n − ℓ − 1` spheres on which the wavefunction changes sign. */
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radialNodes: number;
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/** ℓ planes or cones on which it changes sign. */
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"atomicOrbitals.d.ts","sourceRoot":"","sources":["../../../src/orbital/core/atomicOrbitals.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;GAYG;AAOH,OAAO,KAAK,EAAE,oBAAoB,EAAE,MAAM,iBAAiB,CAAC;AAS5D,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,oBAAoB,CAAC;
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1
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{"version":3,"file":"atomicOrbitals.d.ts","sourceRoot":"","sources":["../../../src/orbital/core/atomicOrbitals.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;GAYG;AAOH,OAAO,KAAK,EAAE,oBAAoB,EAAE,MAAM,iBAAiB,CAAC;AAS5D,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,oBAAoB,CAAC;AAKvD,2EAA2E;AAC3E,MAAM,WAAW,aAAa;IAC5B,8DAA8D;IAC9D,EAAE,EAAE,MAAM,CAAC;IACX,wCAAwC;IACxC,CAAC,EAAE,MAAM,CAAC;IACV,mEAAmE;IACnE,CAAC,EAAE,MAAM,CAAC;IACV,4DAA4D;IAC5D,QAAQ,EAAE,YAAY,CAAC;IACvB,sDAAsD;IACtD,KAAK,EAAE,MAAM,CAAC;IACd,mEAAmE;IACnE,SAAS,EAAE,MAAM,CAAC;IAClB,uCAAuC;IACvC,iBAAiB,EAAE,MAAM,CAAC;IAC1B,oDAAoD;IACpD,eAAe,EAAE,MAAM,CAAC;IACxB,0CAA0C;IAC1C,SAAS,EAAE,MAAM,CAAC;IAClB,yEAAyE;IACzE,MAAM,EAAE,MAAM,CAAC;IACf;;;;;;OAMG;IACH,aAAa,EAAE,MAAM,GAAG,IAAI,CAAC;IAC7B,kEAAkE;IAClE,WAAW,EAAE,MAAM,CAAC;IACpB,kDAAkD;IAClD,YAAY,EAAE,MAAM,CAAC;IACrB,uBAAuB;IACvB,UAAU,EAAE,MAAM,CAAC;IACnB,2DAA2D;IAC3D,SAAS,EAAE,OAAO,CAAC;IACnB,sDAAsD;IACtD,SAAS,EAAE,OAAO,CAAC;CACpB;AAED,4CAA4C;AAC5C,MAAM,WAAW,oBAAoB;IACnC;;;;;;OAMG;IACH,YAAY,CAAC,EAAE,MAAM,CAAC;CACvB;AAED;;;;;;;GAOG;AACH,wBAAgB,gBAAgB,CAC9B,YAAY,EAAE,MAAM,EACpB,OAAO,GAAE,oBAAyB,GACjC,aAAa,EAAE,CAgEjB;AAED;;;;;GAKG;AACH,wBAAgB,iBAAiB,CAC/B,QAAQ,EAAE,SAAS,aAAa,EAAE,EAClC,EAAE,EAAE,MAAM,GACT,aAAa,GAAG,IAAI,CAKtB;AAED;;;;GAIG;AACH,wBAAgB,sBAAsB,CACpC,OAAO,EAAE,aAAa,GACrB,oBAAoB,CAEtB;AAaD;;;;;;GAMG;AACH,wBAAgB,gBAAgB,CAC9B,QAAQ,EAAE,SAAS,aAAa,EAAE,GACjC,MAAM,GAAG,IAAI,CAaf"}
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@@ -16,6 +16,7 @@ import { meanRadius, orbitalEnergy, radialNodeCount } from "./hydrogenic.js";
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import { MINIMUM_CHARGE, defaultMaximumShell, hundDistribution, outermostShell, withoutOutermostElectron, } from "./occupancy.js";
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import { harmonicsOf, subshellLetter } from "./realHarmonics.js";
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import { slaterScreening } from "./screening.js";
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import { slaterRemovalEnergy } from "./slaterEnergy.js";
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/**
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* Every orbital of an element, in Madelung (roughly energetic) order.
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* @param atomicNumber - Proton count, 1 to 118.
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@@ -52,6 +53,11 @@ export function atomicOrbitalsOf(atomicNumber, options = {}) {
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l: subshell.l,
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charge,
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};
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// Once per subshell, not once per harmonic: the seven orbitals of an f
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// subshell share one removal energy.
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const removalEnergy = subshellElectrons === 0
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? null
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: slaterRemovalEnergy(atomicNumber, configuration, subshell);
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const harmonics = harmonicsOf(subshell.l);
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const spread = hundDistribution(subshellElectrons, harmonics.length);
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for (let index = 0; index < harmonics.length; index++) {
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@@ -67,6 +73,7 @@ export function atomicOrbitalsOf(atomicNumber, options = {}) {
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effectiveCharge: charge,
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shielding: screening.shielding,
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energy: orbitalEnergy(parameters),
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removalEnergy,
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radialNodes: radialNodeCount(parameters),
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angularNodes: subshell.l,
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meanRadius: meanRadius(parameters),
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"atomicOrbitals.js","sourceRoot":"","sources":["../../../src/orbital/core/atomicOrbitals.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;GAYG;AAEH,OAAO,EACL,cAAc,EACd,eAAe,EACf,aAAa,GACd,MAAM,4BAA4B,CAAC;AAEpC,OAAO,EAAE,UAAU,EAAE,aAAa,EAAE,eAAe,EAAE,MAAM,iBAAiB,CAAC;AAC7E,OAAO,EACL,cAAc,EACd,mBAAmB,EACnB,gBAAgB,EAChB,cAAc,EACd,wBAAwB,GACzB,MAAM,gBAAgB,CAAC;AAExB,OAAO,EAAE,WAAW,EAAE,cAAc,EAAE,MAAM,oBAAoB,CAAC;AACjE,OAAO,EAAE,eAAe,EAAE,MAAM,gBAAgB,CAAC;
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1
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+
{"version":3,"file":"atomicOrbitals.js","sourceRoot":"","sources":["../../../src/orbital/core/atomicOrbitals.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;GAYG;AAEH,OAAO,EACL,cAAc,EACd,eAAe,EACf,aAAa,GACd,MAAM,4BAA4B,CAAC;AAEpC,OAAO,EAAE,UAAU,EAAE,aAAa,EAAE,eAAe,EAAE,MAAM,iBAAiB,CAAC;AAC7E,OAAO,EACL,cAAc,EACd,mBAAmB,EACnB,gBAAgB,EAChB,cAAc,EACd,wBAAwB,GACzB,MAAM,gBAAgB,CAAC;AAExB,OAAO,EAAE,WAAW,EAAE,cAAc,EAAE,MAAM,oBAAoB,CAAC;AACjE,OAAO,EAAE,eAAe,EAAE,MAAM,gBAAgB,CAAC;AACjD,OAAO,EAAE,mBAAmB,EAAE,MAAM,mBAAmB,CAAC;AAwDxD;;;;;;;GAOG;AACH,MAAM,UAAU,gBAAgB,CAC9B,YAAoB,EACpB,UAAgC,EAAE;IAElC,MAAM,aAAa,GAAG,eAAe,CAAC,YAAY,CAAC,CAAC;IACpD,MAAM,YAAY,GAAG,cAAc,CAAC,aAAa,CAAC,CAAC;IACnD,MAAM,EAAE,YAAY,GAAG,mBAAmB,CAAC,YAAY,CAAC,EAAE,GAAG,OAAO,CAAC;IACrE,MAAM,WAAW,GAAG,IAAI,GAAG,EAAkB,CAAC;IAC9C,KAAK,MAAM,KAAK,IAAI,aAAa,EAAE,CAAC;QAClC,WAAW,CAAC,GAAG,CAAC,GAAG,KAAK,CAAC,CAAC,IAAI,KAAK,CAAC,CAAC,EAAE,EAAE,KAAK,CAAC,SAAS,CAAC,CAAC;IAC5D,CAAC;IACD,MAAM,QAAQ,GAAG,wBAAwB,CAAC,aAAa,CAAC,CAAC;IAEzD,MAAM,QAAQ,GAAoB,EAAE,CAAC;IACrC,KAAK,MAAM,QAAQ,IAAI,cAAc,EAAE,CAAC;QACtC,IAAI,QAAQ,CAAC,CAAC,GAAG,YAAY;YAAE,SAAS;QACxC,MAAM,iBAAiB,GACrB,WAAW,CAAC,GAAG,CAAC,GAAG,QAAQ,CAAC,CAAC,IAAI,QAAQ,CAAC,CAAC,EAAE,CAAC,IAAI,CAAC,CAAC;QACtD,2EAA2E;QAC3E,0EAA0E;QAC1E,oEAAoE;QACpE,0EAA0E;QAC1E,6EAA6E;QAC7E,MAAM,SAAS,GAAG,eAAe,CAC/B,YAAY,EACZ,iBAAiB,KAAK,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,aAAa,EAClD,QAAQ,CACT,CAAC;QACF,0EAA0E;QAC1E,qDAAqD;QACrD,MAAM,MAAM,GAAG,IAAI,CAAC,GAAG,CAAC,SAAS,CAAC,eAAe,EAAE,cAAc,CAAC,CAAC;QACnE,MAAM,UAAU,GAAyB;YACvC,CAAC,EAAE,QAAQ,CAAC,CAAC;YACb,CAAC,EAAE,QAAQ,CAAC,CAAC;YACb,MAAM;SACP,CAAC;QACF,uEAAuE;QACvE,qCAAqC;QACrC,MAAM,aAAa,GACjB,iBAAiB,KAAK,CAAC;YACrB,CAAC,CAAC,IAAI;YACN,CAAC,CAAC,mBAAmB,CAAC,YAAY,EAAE,aAAa,EAAE,QAAQ,CAAC,CAAC;QACjE,MAAM,SAAS,GAAG,WAAW,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC1C,MAAM,MAAM,GAAG,gBAAgB,CAAC,iBAAiB,EAAE,SAAS,CAAC,MAAM,CAAC,CAAC;QACrE,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,SAAS,CAAC,MAAM,EAAE,KAAK,EAAE,EAAE,CAAC;YACtD,MAAM,QAAQ,GAAG,SAAS,CAAC,KAAK,CAAiB,CAAC;YAClD,QAAQ,CAAC,IAAI,CAAC;gBACZ,EAAE,EAAE,SAAS,CAAC,QAAQ,CAAC,CAAC,EAAE,QAAQ,CAAC,CAAC,EAAE,QAAQ,CAAC;gBAC/C,CAAC,EAAE,QAAQ,CAAC,CAAC;gBACb,CAAC,EAAE,QAAQ,CAAC,CAAC;gBACb,QAAQ;gBACR,KAAK,EAAE,aAAa,CAAC,QAAQ,CAAC;gBAC9B,SAAS,EAAE,MAAM,CAAC,KAAK,CAAW;gBAClC,iBAAiB;gBACjB,eAAe,EAAE,MAAM;gBACvB,SAAS,EAAE,SAAS,CAAC,SAAS;gBAC9B,MAAM,EAAE,aAAa,CAAC,UAAU,CAAC;gBACjC,aAAa;gBACb,WAAW,EAAE,eAAe,CAAC,UAAU,CAAC;gBACxC,YAAY,EAAE,QAAQ,CAAC,CAAC;gBACxB,UAAU,EAAE,UAAU,CAAC,UAAU,CAAC;gBAClC,SAAS,EAAE,iBAAiB,KAAK,CAAC;gBAClC,SAAS,EAAE,iBAAiB,GAAG,CAAC,IAAI,QAAQ,CAAC,CAAC,KAAK,YAAY;aAChE,CAAC,CAAC;QACL,CAAC;IACH,CAAC;IACD,OAAO,QAAQ,CAAC;AAClB,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,iBAAiB,CAC/B,QAAkC,EAClC,EAAU;IAEV,KAAK,MAAM,OAAO,IAAI,QAAQ,EAAE,CAAC;QAC/B,IAAI,OAAO,CAAC,EAAE,KAAK,EAAE;YAAE,OAAO,OAAO,CAAC;IACxC,CAAC;IACD,OAAO,IAAI,CAAC;AACd,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,sBAAsB,CACpC,OAAsB;IAEtB,OAAO,EAAE,CAAC,EAAE,OAAO,CAAC,CAAC,EAAE,CAAC,EAAE,OAAO,CAAC,CAAC,EAAE,MAAM,EAAE,OAAO,CAAC,eAAe,EAAE,CAAC;AACzE,CAAC;AAED;;;;;;GAMG;AACH,SAAS,SAAS,CAAC,CAAS,EAAE,CAAS,EAAE,QAAsB;IAC7D,OAAO,GAAG,CAAC,GAAG,cAAc,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,GAAG,EAAE,CAAC;AACnD,CAAC;AAED;;;;;;GAMG;AACH,MAAM,UAAU,gBAAgB,CAC9B,QAAkC;IAElC,IAAI,SAAS,GAAyB,IAAI,CAAC;IAC3C,KAAK,MAAM,OAAO,IAAI,QAAQ,EAAE,CAAC;QAC/B,IAAI,OAAO,CAAC,SAAS,KAAK,CAAC;YAAE,SAAS;QACtC,IAAI,SAAS,KAAK,IAAI,EAAE,CAAC;YACvB,SAAS,GAAG,OAAO,CAAC;QACtB,CAAC;aAAM,IAAI,OAAO,CAAC,CAAC,GAAG,SAAS,CAAC,CAAC,EAAE,CAAC;YACnC,SAAS,GAAG,OAAO,CAAC;QACtB,CAAC;aAAM,IAAI,OAAO,CAAC,CAAC,KAAK,SAAS,CAAC,CAAC,IAAI,OAAO,CAAC,CAAC,GAAG,SAAS,CAAC,CAAC,EAAE,CAAC;YAChE,SAAS,GAAG,OAAO,CAAC;QACtB,CAAC;IACH,CAAC;IACD,OAAO,CAAC,SAAS,IAAI,QAAQ,CAAC,CAAC,CAAC,CAAC,EAAE,EAAE,IAAI,IAAI,CAAC;AAChD,CAAC"}
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@@ -37,7 +37,8 @@ export declare function radialNodeCount(parameters: HydrogenicParameters): numbe
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37
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*/
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38
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export declare function meanRadius(parameters: HydrogenicParameters): number;
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39
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/**
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40
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-
* Orbital energy in the hydrogen-like model, `E = −13.
|
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40
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+
* Orbital energy in the hydrogen-like model, `E = −13.606 Z²/n²` eV — one
|
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41
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+
* rydberg times `Z²/n²`.
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* @param parameters - Which orbital.
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* @returns The energy in electronvolts, always negative.
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*/
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"hydrogenic.d.ts","sourceRoot":"","sources":["../../../src/orbital/core/hydrogenic.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AAUH,iEAAiE;AACjE,MAAM,WAAW,oBAAoB;IACnC,0CAA0C;IAC1C,CAAC,EAAE,MAAM,CAAC;IACV,mDAAmD;IACnD,CAAC,EAAE,MAAM,CAAC;IACV,mEAAmE;IACnE,MAAM,EAAE,MAAM,CAAC;CAChB;AAED;;;;GAIG;AACH,wBAAgB,eAAe,CAAC,UAAU,EAAE,oBAAoB,GAAG,MAAM,CAExE;AAED;;;;;GAKG;AACH,wBAAgB,UAAU,CAAC,UAAU,EAAE,oBAAoB,GAAG,MAAM,CAMnE;AAED
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1
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+
{"version":3,"file":"hydrogenic.d.ts","sourceRoot":"","sources":["../../../src/orbital/core/hydrogenic.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AAUH,iEAAiE;AACjE,MAAM,WAAW,oBAAoB;IACnC,0CAA0C;IAC1C,CAAC,EAAE,MAAM,CAAC;IACV,mDAAmD;IACnD,CAAC,EAAE,MAAM,CAAC;IACV,mEAAmE;IACnE,MAAM,EAAE,MAAM,CAAC;CAChB;AAED;;;;GAIG;AACH,wBAAgB,eAAe,CAAC,UAAU,EAAE,oBAAoB,GAAG,MAAM,CAExE;AAED;;;;;GAKG;AACH,wBAAgB,UAAU,CAAC,UAAU,EAAE,oBAAoB,GAAG,MAAM,CAMnE;AAED;;;;;GAKG;AACH,wBAAgB,aAAa,CAAC,UAAU,EAAE,oBAAoB,GAAG,MAAM,CAGtE;AAED;;;;;;;GAOG;AACH,wBAAgB,oBAAoB,CAClC,UAAU,EAAE,oBAAoB,GAC/B,CAAC,QAAQ,EAAE,MAAM,KAAK,MAAM,CAwB9B;AAED;;;;;GAKG;AACH,wBAAgB,eAAe,CAC7B,UAAU,EAAE,oBAAoB,EAChC,QAAQ,EAAE,MAAM,GACf,MAAM,CAER;AAED;;;;;;;;;;;GAWG;AACH,wBAAgB,eAAe,CAC7B,UAAU,EAAE,oBAAoB,EAChC,KAAK,SAA6B,GACjC,MAAM,EAAE,CAmBV;AAED;;;;;;;;;GASG;AACH,wBAAgB,eAAe,CAC7B,UAAU,EAAE,oBAAoB,EAChC,QAAQ,EAAE,MAAM,GACf,MAAM,CA0BR;AAED;;;;;;;;GAQG;AACH,wBAAgB,aAAa,CAC3B,UAAU,EAAE,oBAAoB,EAChC,KAAK,EAAE,MAAM,EACb,KAAK,EAAE,MAAM,GACZ;IAAE,SAAS,EAAE,YAAY,CAAC;IAAC,SAAS,EAAE,YAAY,CAAC;IAAC,OAAO,EAAE,YAAY,CAAA;CAAE,CAc7E"}
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@@ -36,7 +36,8 @@ export function meanRadius(parameters) {
|
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|
36
36
|
(2 * Math.max(charge, 1e-6)));
|
|
37
37
|
}
|
|
38
38
|
/**
|
|
39
|
-
* Orbital energy in the hydrogen-like model, `E = −13.
|
|
39
|
+
* Orbital energy in the hydrogen-like model, `E = −13.606 Z²/n²` eV — one
|
|
40
|
+
* rydberg times `Z²/n²`.
|
|
40
41
|
* @param parameters - Which orbital.
|
|
41
42
|
* @returns The energy in electronvolts, always negative.
|
|
42
43
|
*/
|
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@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"hydrogenic.js","sourceRoot":"","sources":["../../../src/orbital/core/hydrogenic.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AAEH,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,gBAAgB,CAAC;AACzE,OAAO,EACL,oBAAoB,EACpB,UAAU,EACV,SAAS,EACT,QAAQ,GACT,MAAM,eAAe,CAAC;AAYvB;;;;GAIG;AACH,MAAM,UAAU,eAAe,CAAC,UAAgC;IAC9D,OAAO,UAAU,CAAC,CAAC,GAAG,UAAU,CAAC,CAAC,GAAG,CAAC,CAAC;AACzC,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,UAAU,CAAC,UAAgC;IACzD,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,MAAM,EAAE,GAAG,UAAU,CAAC;IACpC,OAAO,CACL,CAAC,gBAAgB,GAAG,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;QAC9C,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,IAAI,CAAC,CAAC,CAC7B,CAAC;AACJ,CAAC;AAED
|
|
1
|
+
{"version":3,"file":"hydrogenic.js","sourceRoot":"","sources":["../../../src/orbital/core/hydrogenic.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AAEH,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,gBAAgB,CAAC;AACzE,OAAO,EACL,oBAAoB,EACpB,UAAU,EACV,SAAS,EACT,QAAQ,GACT,MAAM,eAAe,CAAC;AAYvB;;;;GAIG;AACH,MAAM,UAAU,eAAe,CAAC,UAAgC;IAC9D,OAAO,UAAU,CAAC,CAAC,GAAG,UAAU,CAAC,CAAC,GAAG,CAAC,CAAC;AACzC,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,UAAU,CAAC,UAAgC;IACzD,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,MAAM,EAAE,GAAG,UAAU,CAAC;IACpC,OAAO,CACL,CAAC,gBAAgB,GAAG,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;QAC9C,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,IAAI,CAAC,CAAC,CAC7B,CAAC;AACJ,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,aAAa,CAAC,UAAgC;IAC5D,MAAM,EAAE,CAAC,EAAE,MAAM,EAAE,GAAG,UAAU,CAAC;IACjC,OAAO,CAAC,CAAC,qBAAqB,GAAG,MAAM,GAAG,MAAM,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;AAC9D,CAAC;AAED;;;;;;;GAOG;AACH,MAAM,UAAU,oBAAoB,CAClC,UAAgC;IAEhC,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,MAAM,EAAE,GAAG,UAAU,CAAC;IACpC,oBAAoB,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC3B,IAAI,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,EAAE,CAAC;QAClB,MAAM,IAAI,UAAU,CAClB,8CAA8C,MAAM,EAAE,CACvD,CAAC;IACJ,CAAC;IACD,MAAM,MAAM,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;IACzB,MAAM,KAAK,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;IACxB,+EAA+E;IAC/E,MAAM,GAAG,GAAG,CAAC,CAAC,GAAG,MAAM,CAAC,GAAG,CAAC,CAAC,GAAG,gBAAgB,CAAC,CAAC;IAClD,MAAM,aAAa,GAAG,IAAI,CAAC,IAAI,CAC7B,GAAG,GAAG,GAAG,GAAG,GAAG,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,GAAG,SAAS,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CACnE,CAAC;IACF,OAAO,CAAC,QAAQ,EAAE,EAAE;QAClB,MAAM,MAAM,GAAG,GAAG,GAAG,QAAQ,CAAC;QAC9B,OAAO,CACL,aAAa;YACb,MAAM,IAAI,CAAC;YACX,IAAI,CAAC,GAAG,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC;YACrB,QAAQ,CAAC,MAAM,EAAE,KAAK,EAAE,MAAM,CAAC,CAChC,CAAC;IACJ,CAAC,CAAC;AACJ,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,eAAe,CAC7B,UAAgC,EAChC,QAAgB;IAEhB,OAAO,oBAAoB,CAAC,UAAU,CAAC,CAAC,QAAQ,CAAC,CAAC;AACpD,CAAC;AAED;;;;;;;;;;;GAWG;AACH,MAAM,UAAU,eAAe,CAC7B,UAAgC,EAChC,KAAK,GAAG,UAAU,CAAC,UAAU,CAAC,GAAG,CAAC;IAElC,MAAM,QAAQ,GAAG,eAAe,CAAC,UAAU,CAAC,CAAC;IAC7C,IAAI,QAAQ,KAAK,CAAC;QAAE,OAAO,EAAE,CAAC;IAC9B,MAAM,MAAM,GAAG,oBAAoB,CAAC,UAAU,CAAC,CAAC;IAChD,MAAM,KAAK,GAAa,EAAE,CAAC;IAC3B,MAAM,KAAK,GAAG,IAAI,CAAC;IACnB,IAAI,gBAAgB,GAAG,IAAI,CAAC;IAC5B,IAAI,QAAQ,GAAG,MAAM,CAAC,gBAAgB,CAAC,CAAC;IACxC,KAAK,IAAI,IAAI,GAAG,CAAC,EAAE,IAAI,IAAI,KAAK,EAAE,IAAI,EAAE,EAAE,CAAC;QACzC,MAAM,QAAQ,GAAG,CAAC,KAAK,GAAG,IAAI,CAAC,GAAG,KAAK,CAAC;QACxC,MAAM,KAAK,GAAG,MAAM,CAAC,QAAQ,CAAC,CAAC;QAC/B,IAAI,QAAQ,KAAK,CAAC,IAAI,QAAQ,GAAG,CAAC,KAAK,KAAK,GAAG,CAAC,EAAE,CAAC;YACjD,KAAK,CAAC,IAAI,CAAC,UAAU,CAAC,MAAM,EAAE,gBAAgB,EAAE,QAAQ,CAAC,CAAC,CAAC;YAC3D,IAAI,KAAK,CAAC,MAAM,KAAK,QAAQ;gBAAE,MAAM;QACvC,CAAC;QACD,gBAAgB,GAAG,QAAQ,CAAC;QAC5B,QAAQ,GAAG,KAAK,CAAC;IACnB,CAAC;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED;;;;;;;;;GASG;AACH,MAAM,UAAU,eAAe,CAC7B,UAAgC,EAChC,QAAgB;IAEhB,IAAI,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,IAAI,QAAQ,IAAI,CAAC,EAAE,CAAC;QACrC,MAAM,IAAI,UAAU,CAAC,yCAAyC,CAAC,CAAC;IAClE,CAAC;IACD,MAAM,MAAM,GAAG,oBAAoB,CAAC,UAAU,CAAC,CAAC;IAChD,2EAA2E;IAC3E,MAAM,KAAK,GAAG,UAAU,CAAC,UAAU,CAAC,GAAG,EAAE,CAAC;IAC1C,MAAM,KAAK,GAAG,IAAI,CAAC;IACnB,MAAM,IAAI,GAAG,KAAK,GAAG,KAAK,CAAC;IAC3B,MAAM,OAAO,GAAG,IAAI,YAAY,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;IAC5C,IAAI,KAAK,GAAG,CAAC,CAAC;IACd,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,IAAI,KAAK,EAAE,KAAK,EAAE,EAAE,CAAC;QAC5C,MAAM,QAAQ,GAAG,KAAK,GAAG,IAAI,CAAC;QAC9B,MAAM,KAAK,GAAG,MAAM,CAAC,QAAQ,CAAC,CAAC;QAC/B,MAAM,MAAM,GAAG,KAAK,GAAG,KAAK,GAAG,QAAQ,GAAG,QAAQ,CAAC;QACnD,OAAO,CAAC,KAAK,CAAC,GAAG,MAAM,CAAC;QACxB,KAAK,IAAI,MAAM,CAAC;IAClB,CAAC;IACD,IAAI,KAAK,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC;IAC9B,IAAI,OAAO,GAAG,CAAC,CAAC;IAChB,MAAM,MAAM,GAAG,KAAK,GAAG,QAAQ,CAAC;IAChC,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,IAAI,KAAK,EAAE,KAAK,EAAE,EAAE,CAAC;QAC5C,OAAO,IAAI,OAAO,CAAC,KAAK,CAAW,CAAC;QACpC,IAAI,OAAO,IAAI,MAAM;YAAE,OAAO,KAAK,GAAG,IAAI,CAAC;IAC7C,CAAC;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED;;;;;;;;GAQG;AACH,MAAM,UAAU,aAAa,CAC3B,UAAgC,EAChC,KAAa,EACb,KAAa;IAEb,IAAI,KAAK,GAAG,CAAC;QAAE,MAAM,IAAI,UAAU,CAAC,kCAAkC,CAAC,CAAC;IACxE,MAAM,MAAM,GAAG,oBAAoB,CAAC,UAAU,CAAC,CAAC;IAChD,MAAM,SAAS,GAAG,IAAI,YAAY,CAAC,KAAK,CAAC,CAAC;IAC1C,MAAM,SAAS,GAAG,IAAI,YAAY,CAAC,KAAK,CAAC,CAAC;IAC1C,MAAM,OAAO,GAAG,IAAI,YAAY,CAAC,KAAK,CAAC,CAAC;IACxC,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,KAAK,EAAE,KAAK,EAAE,EAAE,CAAC;QAC3C,MAAM,QAAQ,GAAG,CAAC,KAAK,GAAG,KAAK,CAAC,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;QAC/C,MAAM,KAAK,GAAG,MAAM,CAAC,QAAQ,CAAC,CAAC;QAC/B,SAAS,CAAC,KAAK,CAAC,GAAG,QAAQ,CAAC;QAC5B,SAAS,CAAC,KAAK,CAAC,GAAG,KAAK,CAAC;QACzB,OAAO,CAAC,KAAK,CAAC,GAAG,KAAK,GAAG,KAAK,GAAG,QAAQ,GAAG,QAAQ,CAAC;IACvD,CAAC;IACD,OAAO,EAAE,SAAS,EAAE,SAAS,EAAE,OAAO,EAAE,CAAC;AAC3C,CAAC"}
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|
@@ -23,4 +23,5 @@ export type { AtomicSampleRequest, AtomicSampleResult, AtomicSampler, } from './
|
|
|
23
23
|
export { runAtomicSample } from './sample.ts';
|
|
24
24
|
export type { Screening } from './screening.ts';
|
|
25
25
|
export { groupRank, slaterScreening } from './screening.ts';
|
|
26
|
+
export { slaterRemovalEnergy, slaterTotalEnergy } from './slaterEnergy.ts';
|
|
26
27
|
//# sourceMappingURL=index.d.ts.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/orbital/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EAAE,gBAAgB,EAAE,MAAM,iBAAiB,CAAC;AACxD,OAAO,EACL,oBAAoB,EACpB,4BAA4B,GAC7B,MAAM,iBAAiB,CAAC;AACzB,YAAY,EAAE,aAAa,EAAE,oBAAoB,EAAE,MAAM,qBAAqB,CAAC;AAC/E,OAAO,EACL,gBAAgB,EAChB,gBAAgB,EAChB,iBAAiB,EACjB,sBAAsB,GACvB,MAAM,qBAAqB,CAAC;AAC7B,YAAY,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AAC3C,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,gBAAgB,CAAC;AACzE,YAAY,EAAE,QAAQ,EAAE,iBAAiB,EAAE,MAAM,4BAA4B,CAAC;AAC9E,OAAO,EACL,iBAAiB,EACjB,qBAAqB,EACrB,cAAc,EACd,WAAW,EACX,qBAAqB,EACrB,eAAe,EACf,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,EACf,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,4BAA4B,CAAC;AACpC,YAAY,EAAE,OAAO,EAAE,gBAAgB,EAAE,WAAW,EAAE,MAAM,WAAW,CAAC;AACxE,OAAO,EAAE,YAAY,EAAE,SAAS,EAAE,MAAM,WAAW,CAAC;AACpD,YAAY,EAAE,cAAc,EAAE,MAAM,eAAe,CAAC;AACpD,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,cAAc,EAAE,MAAM,eAAe,CAAC;AAChF,YAAY,EAAE,oBAAoB,EAAE,MAAM,iBAAiB,CAAC;AAC5D,OAAO,EACL,oBAAoB,EACpB,eAAe,EACf,UAAU,EACV,aAAa,EACb,eAAe,EACf,eAAe,EACf,eAAe,EACf,aAAa,GACd,MAAM,iBAAiB,CAAC;AACzB,OAAO,EACL,gBAAgB,EAChB,cAAc,EACd,wBAAwB,GACzB,MAAM,gBAAgB,CAAC;AACxB,YAAY,EAAE,YAAY,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AACjE,OAAO,EAAE,wBAAwB,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AACxE,YAAY,EACV,kBAAkB,EAClB,yBAAyB,GAC1B,MAAM,yBAAyB,CAAC;AACjC,OAAO,EAAE,kBAAkB,EAAE,MAAM,yBAAyB,CAAC;AAC7D,YAAY,EAAE,YAAY,EAAE,MAAM,oBAAoB,CAAC;AACvD,OAAO,EACL,cAAc,EACd,gBAAgB,EAChB,WAAW,EACX,cAAc,GACf,MAAM,oBAAoB,CAAC;AAC5B,YAAY,EACV,mBAAmB,EACnB,kBAAkB,EAClB,aAAa,GACd,MAAM,aAAa,CAAC;AACrB,OAAO,EAAE,eAAe,EAAE,MAAM,aAAa,CAAC;AAC9C,YAAY,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAChD,OAAO,EAAE,SAAS,EAAE,eAAe,EAAE,MAAM,gBAAgB,CAAC"}
|
|
1
|
+
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/orbital/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EAAE,gBAAgB,EAAE,MAAM,iBAAiB,CAAC;AACxD,OAAO,EACL,oBAAoB,EACpB,4BAA4B,GAC7B,MAAM,iBAAiB,CAAC;AACzB,YAAY,EAAE,aAAa,EAAE,oBAAoB,EAAE,MAAM,qBAAqB,CAAC;AAC/E,OAAO,EACL,gBAAgB,EAChB,gBAAgB,EAChB,iBAAiB,EACjB,sBAAsB,GACvB,MAAM,qBAAqB,CAAC;AAC7B,YAAY,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AAC3C,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,gBAAgB,CAAC;AACzE,YAAY,EAAE,QAAQ,EAAE,iBAAiB,EAAE,MAAM,4BAA4B,CAAC;AAC9E,OAAO,EACL,iBAAiB,EACjB,qBAAqB,EACrB,cAAc,EACd,WAAW,EACX,qBAAqB,EACrB,eAAe,EACf,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,EACf,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,4BAA4B,CAAC;AACpC,YAAY,EAAE,OAAO,EAAE,gBAAgB,EAAE,WAAW,EAAE,MAAM,WAAW,CAAC;AACxE,OAAO,EAAE,YAAY,EAAE,SAAS,EAAE,MAAM,WAAW,CAAC;AACpD,YAAY,EAAE,cAAc,EAAE,MAAM,eAAe,CAAC;AACpD,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,cAAc,EAAE,MAAM,eAAe,CAAC;AAChF,YAAY,EAAE,oBAAoB,EAAE,MAAM,iBAAiB,CAAC;AAC5D,OAAO,EACL,oBAAoB,EACpB,eAAe,EACf,UAAU,EACV,aAAa,EACb,eAAe,EACf,eAAe,EACf,eAAe,EACf,aAAa,GACd,MAAM,iBAAiB,CAAC;AACzB,OAAO,EACL,gBAAgB,EAChB,cAAc,EACd,wBAAwB,GACzB,MAAM,gBAAgB,CAAC;AACxB,YAAY,EAAE,YAAY,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AACjE,OAAO,EAAE,wBAAwB,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AACxE,YAAY,EACV,kBAAkB,EAClB,yBAAyB,GAC1B,MAAM,yBAAyB,CAAC;AACjC,OAAO,EAAE,kBAAkB,EAAE,MAAM,yBAAyB,CAAC;AAC7D,YAAY,EAAE,YAAY,EAAE,MAAM,oBAAoB,CAAC;AACvD,OAAO,EACL,cAAc,EACd,gBAAgB,EAChB,WAAW,EACX,cAAc,GACf,MAAM,oBAAoB,CAAC;AAC5B,YAAY,EACV,mBAAmB,EACnB,kBAAkB,EAClB,aAAa,GACd,MAAM,aAAa,CAAC;AACrB,OAAO,EAAE,eAAe,EAAE,MAAM,aAAa,CAAC;AAC9C,YAAY,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAChD,OAAO,EAAE,SAAS,EAAE,eAAe,EAAE,MAAM,gBAAgB,CAAC;AAC5D,OAAO,EAAE,mBAAmB,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC"}
|
|
@@ -11,4 +11,5 @@ export { radialDistribution } from "./radialDistribution.js";
|
|
|
11
11
|
export { REAL_HARMONICS, SUBSHELL_LETTERS, harmonicsOf, subshellLetter, } from "./realHarmonics.js";
|
|
12
12
|
export { runAtomicSample } from "./sample.js";
|
|
13
13
|
export { groupRank, slaterScreening } from "./screening.js";
|
|
14
|
+
export { slaterRemovalEnergy, slaterTotalEnergy } from "./slaterEnergy.js";
|
|
14
15
|
//# sourceMappingURL=index.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/orbital/core/index.ts"],"names":[],"mappings":"AACA,OAAO,EACL,oBAAoB,EACpB,4BAA4B,GAC7B,MAAM,iBAAiB,CAAC;AAEzB,OAAO,EACL,gBAAgB,EAChB,gBAAgB,EAChB,iBAAiB,EACjB,sBAAsB,GACvB,MAAM,qBAAqB,CAAC;AAE7B,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,gBAAgB,CAAC;AAEzE,OAAO,EACL,iBAAiB,EACjB,qBAAqB,EACrB,cAAc,EACd,WAAW,EACX,qBAAqB,EACrB,eAAe,EACf,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,EACf,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,4BAA4B,CAAC;AAEpC,OAAO,EAAE,YAAY,EAAE,SAAS,EAAE,MAAM,WAAW,CAAC;AAEpD,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,cAAc,EAAE,MAAM,eAAe,CAAC;AAEhF,OAAO,EACL,oBAAoB,EACpB,eAAe,EACf,UAAU,EACV,aAAa,EACb,eAAe,EACf,eAAe,EACf,eAAe,EACf,aAAa,GACd,MAAM,iBAAiB,CAAC;AACzB,OAAO,EACL,gBAAgB,EAChB,cAAc,EACd,wBAAwB,GACzB,MAAM,gBAAgB,CAAC;AAExB,OAAO,EAAE,wBAAwB,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAKxE,OAAO,EAAE,kBAAkB,EAAE,MAAM,yBAAyB,CAAC;AAE7D,OAAO,EACL,cAAc,EACd,gBAAgB,EAChB,WAAW,EACX,cAAc,GACf,MAAM,oBAAoB,CAAC;AAM5B,OAAO,EAAE,eAAe,EAAE,MAAM,aAAa,CAAC;AAE9C,OAAO,EAAE,SAAS,EAAE,eAAe,EAAE,MAAM,gBAAgB,CAAC"}
|
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1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/orbital/core/index.ts"],"names":[],"mappings":"AACA,OAAO,EACL,oBAAoB,EACpB,4BAA4B,GAC7B,MAAM,iBAAiB,CAAC;AAEzB,OAAO,EACL,gBAAgB,EAChB,gBAAgB,EAChB,iBAAiB,EACjB,sBAAsB,GACvB,MAAM,qBAAqB,CAAC;AAE7B,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,gBAAgB,CAAC;AAEzE,OAAO,EACL,iBAAiB,EACjB,qBAAqB,EACrB,cAAc,EACd,WAAW,EACX,qBAAqB,EACrB,eAAe,EACf,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,EACf,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,4BAA4B,CAAC;AAEpC,OAAO,EAAE,YAAY,EAAE,SAAS,EAAE,MAAM,WAAW,CAAC;AAEpD,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,cAAc,EAAE,MAAM,eAAe,CAAC;AAEhF,OAAO,EACL,oBAAoB,EACpB,eAAe,EACf,UAAU,EACV,aAAa,EACb,eAAe,EACf,eAAe,EACf,eAAe,EACf,aAAa,GACd,MAAM,iBAAiB,CAAC;AACzB,OAAO,EACL,gBAAgB,EAChB,cAAc,EACd,wBAAwB,GACzB,MAAM,gBAAgB,CAAC;AAExB,OAAO,EAAE,wBAAwB,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAKxE,OAAO,EAAE,kBAAkB,EAAE,MAAM,yBAAyB,CAAC;AAE7D,OAAO,EACL,cAAc,EACd,gBAAgB,EAChB,WAAW,EACX,cAAc,GACf,MAAM,oBAAoB,CAAC;AAM5B,OAAO,EAAE,eAAe,EAAE,MAAM,aAAa,CAAC;AAE9C,OAAO,EAAE,SAAS,EAAE,eAAe,EAAE,MAAM,gBAAgB,CAAC;AAC5D,OAAO,EAAE,mBAAmB,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC"}
|
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@@ -0,0 +1,35 @@
|
|
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1
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+
/**
|
|
2
|
+
* What Slater's rules are actually good for: the energy it takes to pull one
|
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3
|
+
* electron off the atom.
|
|
4
|
+
*
|
|
5
|
+
* The hydrogen-like orbital energy `−Ry Z_eff²/n²` is the model's own number
|
|
6
|
+
* and it orders the orbitals correctly, but it is not an ionisation energy and
|
|
7
|
+
* must never be read as one — it is 5.4× the measured value for neon, while
|
|
8
|
+
* being within 10% for lithium, so it is not even a constant factor off.
|
|
9
|
+
*
|
|
10
|
+
* Slater fitted his rules to *total* energies, and that is how they are used:
|
|
11
|
+
* add up `n Z_eff²/n²` over every electron of the atom, do the same for the ion
|
|
12
|
+
* with one electron gone — recomputing the shielding, which is the whole point,
|
|
13
|
+
* since the remaining electrons are screened by one fewer neighbour — and
|
|
14
|
+
* subtract. Over the first four periods that difference lands within a factor
|
|
15
|
+
* 0.74–1.81 of the measured first ionisation energy, against 0.9–5.4 for the
|
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16
|
+
* orbital energy.
|
|
17
|
+
*/
|
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18
|
+
import type { Subshell, SubshellOccupancy } from './electronConfiguration.ts';
|
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19
|
+
/**
|
|
20
|
+
* Total electronic energy of a configuration in the Slater model.
|
|
21
|
+
* @param atomicNumber - Proton count, the `Z` each electron is screened from.
|
|
22
|
+
* @param configuration - Every occupied subshell.
|
|
23
|
+
* @returns The sum of `−Ry Z_eff²/n²` over every electron, electronvolts.
|
|
24
|
+
*/
|
|
25
|
+
export declare function slaterTotalEnergy(atomicNumber: number, configuration: readonly SubshellOccupancy[]): number;
|
|
26
|
+
/**
|
|
27
|
+
* Energy needed to take one electron out of a subshell and off the atom.
|
|
28
|
+
* @param atomicNumber - Proton count.
|
|
29
|
+
* @param configuration - Every occupied subshell of the neutral atom.
|
|
30
|
+
* @param subshell - The subshell the electron leaves.
|
|
31
|
+
* @returns `E(ion) − E(atom)`, electronvolts, positive for a bound electron.
|
|
32
|
+
* @throws {RangeError} When that subshell holds no electron to remove.
|
|
33
|
+
*/
|
|
34
|
+
export declare function slaterRemovalEnergy(atomicNumber: number, configuration: readonly SubshellOccupancy[], subshell: Subshell): number;
|
|
35
|
+
//# sourceMappingURL=slaterEnergy.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"slaterEnergy.d.ts","sourceRoot":"","sources":["../../../src/orbital/core/slaterEnergy.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;GAgBG;AAGH,OAAO,KAAK,EAAE,QAAQ,EAAE,iBAAiB,EAAE,MAAM,4BAA4B,CAAC;AAG9E;;;;;GAKG;AACH,wBAAgB,iBAAiB,CAC/B,YAAY,EAAE,MAAM,EACpB,aAAa,EAAE,SAAS,iBAAiB,EAAE,GAC1C,MAAM,CAgBR;AAED;;;;;;;GAOG;AACH,wBAAgB,mBAAmB,CACjC,YAAY,EAAE,MAAM,EACpB,aAAa,EAAE,SAAS,iBAAiB,EAAE,EAC3C,QAAQ,EAAE,QAAQ,GACjB,MAAM,CAqBR"}
|
|
@@ -0,0 +1,66 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* What Slater's rules are actually good for: the energy it takes to pull one
|
|
3
|
+
* electron off the atom.
|
|
4
|
+
*
|
|
5
|
+
* The hydrogen-like orbital energy `−Ry Z_eff²/n²` is the model's own number
|
|
6
|
+
* and it orders the orbitals correctly, but it is not an ionisation energy and
|
|
7
|
+
* must never be read as one — it is 5.4× the measured value for neon, while
|
|
8
|
+
* being within 10% for lithium, so it is not even a constant factor off.
|
|
9
|
+
*
|
|
10
|
+
* Slater fitted his rules to *total* energies, and that is how they are used:
|
|
11
|
+
* add up `n Z_eff²/n²` over every electron of the atom, do the same for the ion
|
|
12
|
+
* with one electron gone — recomputing the shielding, which is the whole point,
|
|
13
|
+
* since the remaining electrons are screened by one fewer neighbour — and
|
|
14
|
+
* subtract. Over the first four periods that difference lands within a factor
|
|
15
|
+
* 0.74–1.81 of the measured first ionisation energy, against 0.9–5.4 for the
|
|
16
|
+
* orbital energy.
|
|
17
|
+
*/
|
|
18
|
+
import { RYDBERG_ELECTRONVOLTS } from "./constants.js";
|
|
19
|
+
import { slaterScreening } from "./screening.js";
|
|
20
|
+
/**
|
|
21
|
+
* Total electronic energy of a configuration in the Slater model.
|
|
22
|
+
* @param atomicNumber - Proton count, the `Z` each electron is screened from.
|
|
23
|
+
* @param configuration - Every occupied subshell.
|
|
24
|
+
* @returns The sum of `−Ry Z_eff²/n²` over every electron, electronvolts.
|
|
25
|
+
*/
|
|
26
|
+
export function slaterTotalEnergy(atomicNumber, configuration) {
|
|
27
|
+
let energy = 0;
|
|
28
|
+
for (const occupied of configuration) {
|
|
29
|
+
const { effectiveCharge } = slaterScreening(atomicNumber, configuration, occupied);
|
|
30
|
+
energy -=
|
|
31
|
+
(occupied.electrons *
|
|
32
|
+
RYDBERG_ELECTRONVOLTS *
|
|
33
|
+
effectiveCharge *
|
|
34
|
+
effectiveCharge) /
|
|
35
|
+
(occupied.n * occupied.n);
|
|
36
|
+
}
|
|
37
|
+
return energy;
|
|
38
|
+
}
|
|
39
|
+
/**
|
|
40
|
+
* Energy needed to take one electron out of a subshell and off the atom.
|
|
41
|
+
* @param atomicNumber - Proton count.
|
|
42
|
+
* @param configuration - Every occupied subshell of the neutral atom.
|
|
43
|
+
* @param subshell - The subshell the electron leaves.
|
|
44
|
+
* @returns `E(ion) − E(atom)`, electronvolts, positive for a bound electron.
|
|
45
|
+
* @throws {RangeError} When that subshell holds no electron to remove.
|
|
46
|
+
*/
|
|
47
|
+
export function slaterRemovalEnergy(atomicNumber, configuration, subshell) {
|
|
48
|
+
const ion = [];
|
|
49
|
+
let found = false;
|
|
50
|
+
for (const occupied of configuration) {
|
|
51
|
+
if (occupied.n === subshell.n && occupied.l === subshell.l) {
|
|
52
|
+
found = true;
|
|
53
|
+
if (occupied.electrons === 1)
|
|
54
|
+
continue;
|
|
55
|
+
ion.push({ ...occupied, electrons: occupied.electrons - 1 });
|
|
56
|
+
continue;
|
|
57
|
+
}
|
|
58
|
+
ion.push(occupied);
|
|
59
|
+
}
|
|
60
|
+
if (!found) {
|
|
61
|
+
throw new RangeError(`the ${subshell.n}${'spdf'[subshell.l] ?? '?'} subshell holds no electron to remove`);
|
|
62
|
+
}
|
|
63
|
+
return (slaterTotalEnergy(atomicNumber, ion) -
|
|
64
|
+
slaterTotalEnergy(atomicNumber, configuration));
|
|
65
|
+
}
|
|
66
|
+
//# sourceMappingURL=slaterEnergy.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"slaterEnergy.js","sourceRoot":"","sources":["../../../src/orbital/core/slaterEnergy.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;GAgBG;AAEH,OAAO,EAAE,qBAAqB,EAAE,MAAM,gBAAgB,CAAC;AAEvD,OAAO,EAAE,eAAe,EAAE,MAAM,gBAAgB,CAAC;AAEjD;;;;;GAKG;AACH,MAAM,UAAU,iBAAiB,CAC/B,YAAoB,EACpB,aAA2C;IAE3C,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,KAAK,MAAM,QAAQ,IAAI,aAAa,EAAE,CAAC;QACrC,MAAM,EAAE,eAAe,EAAE,GAAG,eAAe,CACzC,YAAY,EACZ,aAAa,EACb,QAAQ,CACT,CAAC;QACF,MAAM;YACJ,CAAC,QAAQ,CAAC,SAAS;gBACjB,qBAAqB;gBACrB,eAAe;gBACf,eAAe,CAAC;gBAClB,CAAC,QAAQ,CAAC,CAAC,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;IAC9B,CAAC;IACD,OAAO,MAAM,CAAC;AAChB,CAAC;AAED;;;;;;;GAOG;AACH,MAAM,UAAU,mBAAmB,CACjC,YAAoB,EACpB,aAA2C,EAC3C,QAAkB;IAElB,MAAM,GAAG,GAAwB,EAAE,CAAC;IACpC,IAAI,KAAK,GAAG,KAAK,CAAC;IAClB,KAAK,MAAM,QAAQ,IAAI,aAAa,EAAE,CAAC;QACrC,IAAI,QAAQ,CAAC,CAAC,KAAK,QAAQ,CAAC,CAAC,IAAI,QAAQ,CAAC,CAAC,KAAK,QAAQ,CAAC,CAAC,EAAE,CAAC;YAC3D,KAAK,GAAG,IAAI,CAAC;YACb,IAAI,QAAQ,CAAC,SAAS,KAAK,CAAC;gBAAE,SAAS;YACvC,GAAG,CAAC,IAAI,CAAC,EAAE,GAAG,QAAQ,EAAE,SAAS,EAAE,QAAQ,CAAC,SAAS,GAAG,CAAC,EAAE,CAAC,CAAC;YAC7D,SAAS;QACX,CAAC;QACD,GAAG,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;IACrB,CAAC;IACD,IAAI,CAAC,KAAK,EAAE,CAAC;QACX,MAAM,IAAI,UAAU,CAClB,OAAO,QAAQ,CAAC,CAAC,GAAG,MAAM,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,GAAG,uCAAuC,CACrF,CAAC;IACJ,CAAC;IACD,OAAO,CACL,iBAAiB,CAAC,YAAY,EAAE,GAAG,CAAC;QACpC,iBAAiB,CAAC,YAAY,EAAE,aAAa,CAAC,CAC/C,CAAC;AACJ,CAAC"}
|
|
@@ -10,8 +10,8 @@ export type { EmptiestCornerOptions } from './emptiestCorner.ts';
|
|
|
10
10
|
export { emptiestCorner } from './emptiestCorner.ts';
|
|
11
11
|
export type { OverlayBarFoldOptions } from './overlayCollapse.ts';
|
|
12
12
|
export { overlayBarFolded, shouldCollapseOverlay } from './overlayCollapse.ts';
|
|
13
|
-
export type { OverlayMarkShape } from './overlayMarks.ts';
|
|
14
|
-
export { OVERLAY_MARK_SHAPES, isFilledMark } from './overlayMarks.ts';
|
|
13
|
+
export type { OverlayMarkShape, OverlaySampleShape } from './overlayMarks.ts';
|
|
14
|
+
export { OVERLAY_MARK_SHAPES, OVERLAY_SAMPLE_SHAPES, isFilledMark, } from './overlayMarks.ts';
|
|
15
15
|
export type { OverlayDensity, OverlayMetrics, OverlayPointerKind, } from './overlayMetrics.ts';
|
|
16
16
|
export { overlayMetrics } from './overlayMetrics.ts';
|
|
17
17
|
export type { OverlayCorner, OverlayCornerStyle, OverlayPlacement, } from './overlayPlacement.ts';
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/overlay/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,YAAY,EAAE,qBAAqB,EAAE,MAAM,qBAAqB,CAAC;AACjE,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,YAAY,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAClE,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAC/E,YAAY,EAAE,gBAAgB,EAAE,MAAM,mBAAmB,CAAC;
|
|
1
|
+
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/overlay/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,YAAY,EAAE,qBAAqB,EAAE,MAAM,qBAAqB,CAAC;AACjE,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,YAAY,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAClE,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAC/E,YAAY,EAAE,gBAAgB,EAAE,kBAAkB,EAAE,MAAM,mBAAmB,CAAC;AAC9E,OAAO,EACL,mBAAmB,EACnB,qBAAqB,EACrB,YAAY,GACb,MAAM,mBAAmB,CAAC;AAC3B,YAAY,EACV,cAAc,EACd,cAAc,EACd,kBAAkB,GACnB,MAAM,qBAAqB,CAAC;AAC7B,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,YAAY,EACV,aAAa,EACb,kBAAkB,EAClB,gBAAgB,GACjB,MAAM,uBAAuB,CAAC;AAC/B,OAAO,EAAE,kBAAkB,EAAE,MAAM,uBAAuB,CAAC;AAC3D,YAAY,EAAE,eAAe,EAAE,kBAAkB,EAAE,MAAM,sBAAsB,CAAC;AAChF,YAAY,EAAE,WAAW,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC;AACxE,OAAO,EAAE,WAAW,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC;AACnE,YAAY,EACV,oBAAoB,EACpB,2BAA2B,GAC5B,MAAM,uBAAuB,CAAC;AAC/B,OAAO,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC"}
|
|
@@ -8,7 +8,7 @@
|
|
|
8
8
|
*/
|
|
9
9
|
export { emptiestCorner } from "./emptiestCorner.js";
|
|
10
10
|
export { overlayBarFolded, shouldCollapseOverlay } from "./overlayCollapse.js";
|
|
11
|
-
export { OVERLAY_MARK_SHAPES, isFilledMark } from "./overlayMarks.js";
|
|
11
|
+
export { OVERLAY_MARK_SHAPES, OVERLAY_SAMPLE_SHAPES, isFilledMark, } from "./overlayMarks.js";
|
|
12
12
|
export { overlayMetrics } from "./overlayMetrics.js";
|
|
13
13
|
export { overlayCornerStyle } from "./overlayPlacement.js";
|
|
14
14
|
export { overlayTier, overlayTierWidths } from "./overlayTiers.js";
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/overlay/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAGH,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAErD,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAE/E,OAAO,
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/overlay/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAGH,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAErD,OAAO,EAAE,gBAAgB,EAAE,qBAAqB,EAAE,MAAM,sBAAsB,CAAC;AAE/E,OAAO,EACL,mBAAmB,EACnB,qBAAqB,EACrB,YAAY,GACb,MAAM,mBAAmB,CAAC;AAM3B,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAMrD,OAAO,EAAE,kBAAkB,EAAE,MAAM,uBAAuB,CAAC;AAG3D,OAAO,EAAE,WAAW,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC;AAKnE,OAAO,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC"}
|
|
@@ -8,16 +8,31 @@
|
|
|
8
8
|
* describe its own marks without a `core` module reaching into a `ui` one.
|
|
9
9
|
*/
|
|
10
10
|
/** Which mark a legend entry, a marker or a series stands for. */
|
|
11
|
-
export type OverlayMarkShape = 'dot' | 'ring' | 'square' | 'line' | 'dashed' | 'cross';
|
|
11
|
+
export type OverlayMarkShape = 'dot' | 'ring' | 'square' | 'triangle' | 'diamond' | 'triangle-down' | 'line' | 'dashed' | 'cross';
|
|
12
|
+
/**
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* The shapes a sample's own dot can take, which is how a second grouping of
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* the same samples is drawn while colour keeps the first.
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*/
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export type OverlaySampleShape = Extract<OverlayMarkShape, 'dot' | 'square' | 'triangle' | 'diamond' | 'triangle-down'>;
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/**
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* Every mark, in the order a picker offers them.
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*
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* The first
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* last three carry a second meaning on one figure — a
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* beside dots for the samples — which is what keeps a
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* colours run out or the reader does not separate two
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* The filled ones come first and separate one thing from another by colour or
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* by outline alone; the last three carry a second meaning on one figure — a
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* line for a component beside dots for the samples — which is what keeps a
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* figure readable when the colours run out or the reader does not separate two
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* of them.
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*/
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export declare const OVERLAY_MARK_SHAPES: readonly OverlayMarkShape[];
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/**
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* The shapes a second grouping is given, in the order its groups are listed.
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*
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* Five, because that is about where a reader stops telling small shapes apart
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* at a glance. None of them is a ring or a cross: a ring is a sample placed
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* into a finished model and a cross is a group's average, and a sample drawn
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* as either would be read as one of those.
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*/
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export declare const OVERLAY_SAMPLE_SHAPES: readonly OverlaySampleShape[];
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/**
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* Whether a mark is drawn as a solid area rather than as a stroke.
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*
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"overlayMarks.d.ts","sourceRoot":"","sources":["../../../src/overlay/core/overlayMarks.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,kEAAkE;AAClE,MAAM,MAAM,gBAAgB,
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1
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+
{"version":3,"file":"overlayMarks.d.ts","sourceRoot":"","sources":["../../../src/overlay/core/overlayMarks.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,kEAAkE;AAClE,MAAM,MAAM,gBAAgB,GACxB,KAAK,GACL,MAAM,GACN,QAAQ,GACR,UAAU,GACV,SAAS,GACT,eAAe,GACf,MAAM,GACN,QAAQ,GACR,OAAO,CAAC;AAEZ;;;GAGG;AACH,MAAM,MAAM,kBAAkB,GAAG,OAAO,CACtC,gBAAgB,EAChB,KAAK,GAAG,QAAQ,GAAG,UAAU,GAAG,SAAS,GAAG,eAAe,CAC5D,CAAC;AAEF;;;;;;;;GAQG;AACH,eAAO,MAAM,mBAAmB,EAAE,SAAS,gBAAgB,EAU1D,CAAC;AAEF;;;;;;;GAOG;AACH,eAAO,MAAM,qBAAqB,EAAE,SAAS,kBAAkB,EAM9D,CAAC;AAEF;;;;;;;;GAQG;AACH,wBAAgB,YAAY,CAAC,KAAK,EAAE,gBAAgB,GAAG,OAAO,CAE7D"}
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@@ -10,19 +10,38 @@
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10
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/**
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11
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* Every mark, in the order a picker offers them.
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12
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*
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* The first
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* last three carry a second meaning on one figure — a
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* beside dots for the samples — which is what keeps a
|
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* colours run out or the reader does not separate two
|
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* The filled ones come first and separate one thing from another by colour or
|
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14
|
+
* by outline alone; the last three carry a second meaning on one figure — a
|
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15
|
+
* line for a component beside dots for the samples — which is what keeps a
|
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|
+
* figure readable when the colours run out or the reader does not separate two
|
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17
|
+
* of them.
|
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|
*/
|
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19
|
export const OVERLAY_MARK_SHAPES = [
|
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20
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'dot',
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21
|
'ring',
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22
|
'square',
|
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+
'triangle',
|
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'diamond',
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25
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+
'triangle-down',
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'line',
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'dashed',
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'cross',
|
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25
29
|
];
|
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+
/**
|
|
31
|
+
* The shapes a second grouping is given, in the order its groups are listed.
|
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|
+
*
|
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33
|
+
* Five, because that is about where a reader stops telling small shapes apart
|
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34
|
+
* at a glance. None of them is a ring or a cross: a ring is a sample placed
|
|
35
|
+
* into a finished model and a cross is a group's average, and a sample drawn
|
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36
|
+
* as either would be read as one of those.
|
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37
|
+
*/
|
|
38
|
+
export const OVERLAY_SAMPLE_SHAPES = [
|
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39
|
+
'dot',
|
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40
|
+
'square',
|
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41
|
+
'triangle',
|
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42
|
+
'diamond',
|
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43
|
+
'triangle-down',
|
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44
|
+
];
|
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26
45
|
/**
|
|
27
46
|
* Whether a mark is drawn as a solid area rather than as a stroke.
|
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28
47
|
*
|
|
@@ -33,6 +52,13 @@ export const OVERLAY_MARK_SHAPES = [
|
|
|
33
52
|
* @returns `true` for the filled marks, `false` for the drawn ones.
|
|
34
53
|
*/
|
|
35
54
|
export function isFilledMark(shape) {
|
|
36
|
-
return shape
|
|
55
|
+
return FILLED_MARKS.has(shape);
|
|
37
56
|
}
|
|
57
|
+
const FILLED_MARKS = new Set([
|
|
58
|
+
'dot',
|
|
59
|
+
'square',
|
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60
|
+
'triangle',
|
|
61
|
+
'diamond',
|
|
62
|
+
'triangle-down',
|
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63
|
+
]);
|
|
38
64
|
//# sourceMappingURL=overlayMarks.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"overlayMarks.js","sourceRoot":"","sources":["../../../src/overlay/core/overlayMarks.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;
|
|
1
|
+
{"version":3,"file":"overlayMarks.js","sourceRoot":"","sources":["../../../src/overlay/core/overlayMarks.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAuBH;;;;;;;;GAQG;AACH,MAAM,CAAC,MAAM,mBAAmB,GAAgC;IAC9D,KAAK;IACL,MAAM;IACN,QAAQ;IACR,UAAU;IACV,SAAS;IACT,eAAe;IACf,MAAM;IACN,QAAQ;IACR,OAAO;CACR,CAAC;AAEF;;;;;;;GAOG;AACH,MAAM,CAAC,MAAM,qBAAqB,GAAkC;IAClE,KAAK;IACL,QAAQ;IACR,UAAU;IACV,SAAS;IACT,eAAe;CAChB,CAAC;AAEF;;;;;;;;GAQG;AACH,MAAM,UAAU,YAAY,CAAC,KAAuB;IAClD,OAAO,YAAY,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;AACjC,CAAC;AAED,MAAM,YAAY,GAAkC,IAAI,GAAG,CAAmB;IAC5E,KAAK;IACL,QAAQ;IACR,UAAU;IACV,SAAS;IACT,eAAe;CAChB,CAAC,CAAC"}
|
|
@@ -30,6 +30,11 @@ const MARK_GEOMETRY = {
|
|
|
30
30
|
dot: _jsx("circle", { cx: "6", cy: "6", r: "4.2" }),
|
|
31
31
|
ring: _jsx("circle", { cx: "6", cy: "6", r: "3.4", strokeWidth: "2.2" }),
|
|
32
32
|
square: _jsx("rect", { x: "2", y: "2", width: "8", height: "8", rx: "1.5" }),
|
|
33
|
+
// Balanced on the centre of the box, as the dots they name are balanced on
|
|
34
|
+
// their samples.
|
|
35
|
+
triangle: _jsx("path", { d: "M6 0.8L10.5 8.6L1.5 8.6Z" }),
|
|
36
|
+
diamond: _jsx("path", { d: "M6 1L11 6L6 11L1 6Z" }),
|
|
37
|
+
'triangle-down': _jsx("path", { d: "M1.5 3.4L10.5 3.4L6 11.2Z" }),
|
|
33
38
|
line: _jsx("line", { x1: "0.5", y1: "6", x2: "11.5", y2: "6", strokeWidth: "2.8" }),
|
|
34
39
|
dashed: (_jsx("line", { x1: "0.5", y1: "6", x2: "11.5", y2: "6", strokeWidth: "2.8", strokeDasharray: "3.4 2.6" })),
|
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35
40
|
cross: _jsx("path", { d: "M2.2 2.2 L9.8 9.8 M9.8 2.2 L2.2 9.8", strokeWidth: "2.4" }),
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"OverlayLegendMark.js","sourceRoot":"","sources":["../../../src/overlay/ui/OverlayLegendMark.tsx"],"names":[],"mappings":";AAGA,OAAO,EAAE,YAAY,EAAE,MAAM,yBAAyB,CAAC;AAuBvD;;;;;;;;;;;GAWG;AACH,MAAM,UAAU,iBAAiB,CAAC,KAA6B;IAC7D,MAAM,EAAE,KAAK,EAAE,KAAK,GAAG,KAAK,EAAE,IAAI,GAAG,EAAE,EAAE,KAAK,GAAG,KAAK,EAAE,GAAG,KAAK,CAAC;IACjE,MAAM,MAAM,GAAG,YAAY,CAAC,KAAK,CAAC,CAAC;IAEnC,OAAO,CACL,cACE,KAAK,EAAE,IAAI,EACX,MAAM,EAAE,IAAI,EACZ,OAAO,EAAC,WAAW,iBACP,MAAM,EAClB,SAAS,EAAC,OAAO,EACjB,KAAK,EAAE;YACL,OAAO,EAAE,OAAO;YAChB,IAAI,EAAE,MAAM;YACZ,OAAO,EAAE,KAAK,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;SACnC,YAED,YACE,IAAI,EAAE,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAC7B,MAAM,EAAE,MAAM,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,KAAK,EAC/B,aAAa,EAAC,OAAO,YAEpB,aAAa,CAAC,KAAK,CAAC,GACnB,GACA,CACP,CAAC;AACJ,CAAC;AAED;;;;GAIG;AACH,MAAM,aAAa,GAA2C;IAC5D,GAAG,EAAE,iBAAQ,EAAE,EAAC,GAAG,EAAC,EAAE,EAAC,GAAG,EAAC,CAAC,EAAC,KAAK,GAAG;IACrC,IAAI,EAAE,iBAAQ,EAAE,EAAC,GAAG,EAAC,EAAE,EAAC,GAAG,EAAC,CAAC,EAAC,KAAK,EAAC,WAAW,EAAC,KAAK,GAAG;IACxD,MAAM,EAAE,eAAM,CAAC,EAAC,GAAG,EAAC,CAAC,EAAC,GAAG,EAAC,KAAK,EAAC,GAAG,EAAC,MAAM,EAAC,GAAG,EAAC,EAAE,EAAC,KAAK,GAAG;IAC1D,IAAI,EAAE,eAAM,EAAE,EAAC,KAAK,EAAC,EAAE,EAAC,GAAG,EAAC,EAAE,EAAC,MAAM,EAAC,EAAE,EAAC,GAAG,EAAC,WAAW,EAAC,KAAK,GAAG;IACjE,MAAM,EAAE,CACN,eACE,EAAE,EAAC,KAAK,EACR,EAAE,EAAC,GAAG,EACN,EAAE,EAAC,MAAM,EACT,EAAE,EAAC,GAAG,EACN,WAAW,EAAC,KAAK,EACjB,eAAe,EAAC,SAAS,GACzB,CACH;IACD,KAAK,EAAE,eAAM,CAAC,EAAC,qCAAqC,EAAC,WAAW,EAAC,KAAK,GAAG;CAC1E,CAAC;AAEF;;;;GAIG;AACH,MAAM,aAAa,GAAG,IAAI,CAAC"}
|
|
1
|
+
{"version":3,"file":"OverlayLegendMark.js","sourceRoot":"","sources":["../../../src/overlay/ui/OverlayLegendMark.tsx"],"names":[],"mappings":";AAGA,OAAO,EAAE,YAAY,EAAE,MAAM,yBAAyB,CAAC;AAuBvD;;;;;;;;;;;GAWG;AACH,MAAM,UAAU,iBAAiB,CAAC,KAA6B;IAC7D,MAAM,EAAE,KAAK,EAAE,KAAK,GAAG,KAAK,EAAE,IAAI,GAAG,EAAE,EAAE,KAAK,GAAG,KAAK,EAAE,GAAG,KAAK,CAAC;IACjE,MAAM,MAAM,GAAG,YAAY,CAAC,KAAK,CAAC,CAAC;IAEnC,OAAO,CACL,cACE,KAAK,EAAE,IAAI,EACX,MAAM,EAAE,IAAI,EACZ,OAAO,EAAC,WAAW,iBACP,MAAM,EAClB,SAAS,EAAC,OAAO,EACjB,KAAK,EAAE;YACL,OAAO,EAAE,OAAO;YAChB,IAAI,EAAE,MAAM;YACZ,OAAO,EAAE,KAAK,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;SACnC,YAED,YACE,IAAI,EAAE,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAC7B,MAAM,EAAE,MAAM,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,KAAK,EAC/B,aAAa,EAAC,OAAO,YAEpB,aAAa,CAAC,KAAK,CAAC,GACnB,GACA,CACP,CAAC;AACJ,CAAC;AAED;;;;GAIG;AACH,MAAM,aAAa,GAA2C;IAC5D,GAAG,EAAE,iBAAQ,EAAE,EAAC,GAAG,EAAC,EAAE,EAAC,GAAG,EAAC,CAAC,EAAC,KAAK,GAAG;IACrC,IAAI,EAAE,iBAAQ,EAAE,EAAC,GAAG,EAAC,EAAE,EAAC,GAAG,EAAC,CAAC,EAAC,KAAK,EAAC,WAAW,EAAC,KAAK,GAAG;IACxD,MAAM,EAAE,eAAM,CAAC,EAAC,GAAG,EAAC,CAAC,EAAC,GAAG,EAAC,KAAK,EAAC,GAAG,EAAC,MAAM,EAAC,GAAG,EAAC,EAAE,EAAC,KAAK,GAAG;IAC1D,2EAA2E;IAC3E,iBAAiB;IACjB,QAAQ,EAAE,eAAM,CAAC,EAAC,0BAA0B,GAAG;IAC/C,OAAO,EAAE,eAAM,CAAC,EAAC,qBAAqB,GAAG;IACzC,eAAe,EAAE,eAAM,CAAC,EAAC,2BAA2B,GAAG;IACvD,IAAI,EAAE,eAAM,EAAE,EAAC,KAAK,EAAC,EAAE,EAAC,GAAG,EAAC,EAAE,EAAC,MAAM,EAAC,EAAE,EAAC,GAAG,EAAC,WAAW,EAAC,KAAK,GAAG;IACjE,MAAM,EAAE,CACN,eACE,EAAE,EAAC,KAAK,EACR,EAAE,EAAC,GAAG,EACN,EAAE,EAAC,MAAM,EACT,EAAE,EAAC,GAAG,EACN,WAAW,EAAC,KAAK,EACjB,eAAe,EAAC,SAAS,GACzB,CACH;IACD,KAAK,EAAE,eAAM,CAAC,EAAC,qCAAqC,EAAC,WAAW,EAAC,KAAK,GAAG;CAC1E,CAAC;AAEF;;;;GAIG;AACH,MAAM,aAAa,GAAG,IAAI,CAAC"}
|
|
@@ -25,13 +25,13 @@ export { pcaResult } from './pcaResult.ts';
|
|
|
25
25
|
export type { ProjectionCopy } from './projectionCopy.ts';
|
|
26
26
|
export { PROJECTION_COPY } from './projectionCopy.ts';
|
|
27
27
|
export type { ProjectionCopyPatch } from './projectionCopyPatch.ts';
|
|
28
|
-
export type {
|
|
28
|
+
export type { ProjectionOptionId, ProjectionOptions, ProjectionVariablesView, } from './projectionOptions.ts';
|
|
29
29
|
export { mergeProjectionCopy } from './mergeProjectionCopy.ts';
|
|
30
|
-
export { DEFAULT_PROJECTION_OPTIONS } from './projectionOptions.ts';
|
|
30
|
+
export { DEFAULT_PROJECTION_OPTIONS, NO_GROUPING, } from './projectionOptions.ts';
|
|
31
31
|
export type { ProjectionChoiceWords, ProjectionOutlineWords, ProjectionPanelWords, ProjectionReasonWords, } from './projectionPanelWords.ts';
|
|
32
32
|
export type { ProjectionAxis, ProjectionLoadings, ProjectionMarker, ProjectionResult, } from './projectionResult.ts';
|
|
33
|
-
export type { ProjectionField, ProjectionSamples, ResolvedProjectionGroups, } from './projectionSamples.ts';
|
|
34
|
-
export { resolveProjectionGroups } from './
|
|
33
|
+
export type { ProjectionField, ProjectionGrouping, ProjectionSamples, ResolvedProjectionGroups, ResolvedProjectionShapes, } from './projectionSamples.ts';
|
|
34
|
+
export { projectionGrouping, resolveProjectionGroups, resolveProjectionShapes, } from './projectionGroupings.ts';
|
|
35
35
|
export type { ProjectionBarWords, ProjectionHelp, ProjectionHelpExample, } from './projectionStrings.ts';
|
|
36
36
|
export { PROJECTION_HELP } from './projectionStrings.ts';
|
|
37
37
|
export type { ProjectionTab } from './projectionTabs.ts';
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/projection/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAEH,YAAY,EAAE,sBAAsB,EAAE,MAAM,sBAAsB,CAAC;AACnE,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,YAAY,EACV,cAAc,EACd,eAAe,EACf,sBAAsB,GACvB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,YAAY,EACV,cAAc,EACd,eAAe,EACf,sBAAsB,GACvB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AACzC,YAAY,EAAE,OAAO,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAC5D,YAAY,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AACvD,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC3C,YAAY,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAC1D,OAAO,EAAE,eAAe,EAAE,MAAM,qBAAqB,CAAC;AACtD,YAAY,EAAE,mBAAmB,EAAE,MAAM,0BAA0B,CAAC;AACpE,YAAY,EACV,
|
|
1
|
+
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/projection/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAEH,YAAY,EAAE,sBAAsB,EAAE,MAAM,sBAAsB,CAAC;AACnE,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,YAAY,EACV,cAAc,EACd,eAAe,EACf,sBAAsB,GACvB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,YAAY,EACV,cAAc,EACd,eAAe,EACf,sBAAsB,GACvB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AACzC,YAAY,EAAE,OAAO,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAC5D,YAAY,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AACvD,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC3C,YAAY,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAC1D,OAAO,EAAE,eAAe,EAAE,MAAM,qBAAqB,CAAC;AACtD,YAAY,EAAE,mBAAmB,EAAE,MAAM,0BAA0B,CAAC;AACpE,YAAY,EACV,kBAAkB,EAClB,iBAAiB,EACjB,uBAAuB,GACxB,MAAM,wBAAwB,CAAC;AAChC,OAAO,EAAE,mBAAmB,EAAE,MAAM,0BAA0B,CAAC;AAC/D,OAAO,EACL,0BAA0B,EAC1B,WAAW,GACZ,MAAM,wBAAwB,CAAC;AAChC,YAAY,EACV,qBAAqB,EACrB,sBAAsB,EACtB,oBAAoB,EACpB,qBAAqB,GACtB,MAAM,2BAA2B,CAAC;AACnC,YAAY,EACV,cAAc,EACd,kBAAkB,EAClB,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,uBAAuB,CAAC;AAC/B,YAAY,EACV,eAAe,EACf,kBAAkB,EAClB,iBAAiB,EACjB,wBAAwB,EACxB,wBAAwB,GACzB,MAAM,wBAAwB,CAAC;AAChC,OAAO,EACL,kBAAkB,EAClB,uBAAuB,EACvB,uBAAuB,GACxB,MAAM,0BAA0B,CAAC;AAClC,YAAY,EACV,kBAAkB,EAClB,cAAc,EACd,qBAAqB,GACtB,MAAM,wBAAwB,CAAC;AAChC,OAAO,EAAE,eAAe,EAAE,MAAM,wBAAwB,CAAC;AACzD,YAAY,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AACzD,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,wBAAwB,EAAE,MAAM,+BAA+B,CAAC;AACzE,YAAY,EACV,sBAAsB,EACtB,iBAAiB,EACjB,iBAAiB,EACjB,YAAY,GACb,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EACL,aAAa,EACb,gBAAgB,EAChB,aAAa,EACb,iBAAiB,GAClB,MAAM,mBAAmB,CAAC"}
|
|
@@ -19,8 +19,8 @@ export { fillCopy } from "./fillCopy.js";
|
|
|
19
19
|
export { pcaResult } from "./pcaResult.js";
|
|
20
20
|
export { PROJECTION_COPY } from "./projectionCopy.js";
|
|
21
21
|
export { mergeProjectionCopy } from "./mergeProjectionCopy.js";
|
|
22
|
-
export { DEFAULT_PROJECTION_OPTIONS } from "./projectionOptions.js";
|
|
23
|
-
export { resolveProjectionGroups } from "./
|
|
22
|
+
export { DEFAULT_PROJECTION_OPTIONS, NO_GROUPING, } from "./projectionOptions.js";
|
|
23
|
+
export { projectionGrouping, resolveProjectionGroups, resolveProjectionShapes, } from "./projectionGroupings.js";
|
|
24
24
|
export { PROJECTION_HELP } from "./projectionStrings.js";
|
|
25
25
|
export { projectionTabs } from "./projectionTabs.js";
|
|
26
26
|
export { resolveProjectionOptions } from "./resolveProjectionOptions.js";
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/projection/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAGH,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AAMvD,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AAMvD,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AAGzC,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAE3C,OAAO,EAAE,eAAe,EAAE,MAAM,qBAAqB,CAAC;
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/projection/core/index.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAGH,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AAMvD,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AAMvD,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AACvD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AAGzC,OAAO,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAE3C,OAAO,EAAE,eAAe,EAAE,MAAM,qBAAqB,CAAC;AAOtD,OAAO,EAAE,mBAAmB,EAAE,MAAM,0BAA0B,CAAC;AAC/D,OAAO,EACL,0BAA0B,EAC1B,WAAW,GACZ,MAAM,wBAAwB,CAAC;AAoBhC,OAAO,EACL,kBAAkB,EAClB,uBAAuB,EACvB,uBAAuB,GACxB,MAAM,0BAA0B,CAAC;AAMlC,OAAO,EAAE,eAAe,EAAE,MAAM,wBAAwB,CAAC;AAEzD,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,wBAAwB,EAAE,MAAM,+BAA+B,CAAC;AAOzE,OAAO,EACL,aAAa,EACb,gBAAgB,EAChB,aAAa,EACb,iBAAiB,GAClB,MAAM,mBAAmB,CAAC"}
|
|
@@ -66,6 +66,8 @@ export interface ProjectionCopy {
|
|
|
66
66
|
projected: string;
|
|
67
67
|
/** The title of a key whose colour stands for nothing, so only shape is left. */
|
|
68
68
|
shapes: string;
|
|
69
|
+
/** What the shape stands for, after what the colour does. Carries `{shapes}`. */
|
|
70
|
+
shapedBy: string;
|
|
69
71
|
};
|
|
70
72
|
/** The sentences the viewer builds from the data. */
|
|
71
73
|
sentence: {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"projectionCopy.d.ts","sourceRoot":"","sources":["../../../src/projection/core/projectionCopy.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,kBAAkB,EAAE,MAAM,wBAAwB,CAAC;AACjE,OAAO,KAAK,EACV,qBAAqB,EACrB,sBAAsB,EACtB,oBAAoB,EACpB,qBAAqB,EACtB,MAAM,2BAA2B,CAAC;AAOnC,OAAO,KAAK,EACV,kBAAkB,EAClB,cAAc,EACf,MAAM,wBAAwB,CAAC;AAMhC,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAEzD,6CAA6C;AAC7C,MAAM,WAAW,cAAc;IAC7B,+BAA+B;IAC/B,GAAG,EAAE,MAAM,CAAC,aAAa,EAAE,MAAM,CAAC,CAAC;IACnC,uEAAuE;IACvE,QAAQ,EAAE,MAAM,CAAC,aAAa,EAAE,MAAM,CAAC,CAAC;IACxC,mDAAmD;IACnD,GAAG,EAAE,kBAAkB,CAAC;IACxB,yDAAyD;IACzD,KAAK,EAAE,oBAAoB,CAAC;IAC5B,wEAAwE;IACxE,MAAM,EAAE,qBAAqB,CAAC;IAC9B,oEAAoE;IACpE,MAAM,EAAE,qBAAqB,CAAC;IAC9B,gEAAgE;IAChE,OAAO,EAAE,sBAAsB,CAAC;IAChC,wDAAwD;IACxD,KAAK,EAAE;QACL,eAAe;QACf,GAAG,EAAE,MAAM,CAAC;QACZ,iBAAiB;QACjB,KAAK,EAAE,MAAM,CAAC;QACd,qBAAqB;QACrB,KAAK,EAAE,MAAM,CAAC;QACd;;;WAGG;QACH,mBAAmB,EAAE,MAAM,CAAC;QAC5B,kEAAkE;QAClE,cAAc,EAAE,MAAM,CAAC;QACvB,2EAA2E;QAC3E,eAAe,EAAE,MAAM,CAAC;QACxB,kDAAkD;QAClD,eAAe,EAAE,MAAM,CAAC;QACxB,sBAAsB;QACtB,MAAM,EAAE,MAAM,CAAC;KAChB,CAAC;IACF,gFAAgF;IAChF,MAAM,EAAE;QACN,oDAAoD;QACpD,GAAG,EAAE,MAAM,CAAC;QACZ,sDAAsD;QACtD,KAAK,EAAE,MAAM,CAAC;QACd,oDAAoD;QACpD,YAAY,EAAE,MAAM,CAAC;QACrB,yCAAyC;QACzC,KAAK,EAAE,MAAM,CAAC;QACd,qCAAqC;QACrC,eAAe,EAAE,MAAM,CAAC;QACxB,0BAA0B;QAC1B,gBAAgB,EAAE,MAAM,CAAC;QACzB,wCAAwC;QACxC,iBAAiB,EAAE,MAAM,CAAC;QAC1B,sDAAsD;QACtD,eAAe,EAAE,MAAM,CAAC;QACxB,sBAAsB;QACtB,MAAM,EAAE,MAAM,CAAC;QACf,oDAAoD;QACpD,WAAW,EAAE,MAAM,CAAC;QACpB,yEAAyE;QACzE,SAAS,EAAE,MAAM,CAAC;QAClB,iFAAiF;QACjF,MAAM,EAAE,MAAM,CAAC;
|
|
1
|
+
{"version":3,"file":"projectionCopy.d.ts","sourceRoot":"","sources":["../../../src/projection/core/projectionCopy.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,kBAAkB,EAAE,MAAM,wBAAwB,CAAC;AACjE,OAAO,KAAK,EACV,qBAAqB,EACrB,sBAAsB,EACtB,oBAAoB,EACpB,qBAAqB,EACtB,MAAM,2BAA2B,CAAC;AAOnC,OAAO,KAAK,EACV,kBAAkB,EAClB,cAAc,EACf,MAAM,wBAAwB,CAAC;AAMhC,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAEzD,6CAA6C;AAC7C,MAAM,WAAW,cAAc;IAC7B,+BAA+B;IAC/B,GAAG,EAAE,MAAM,CAAC,aAAa,EAAE,MAAM,CAAC,CAAC;IACnC,uEAAuE;IACvE,QAAQ,EAAE,MAAM,CAAC,aAAa,EAAE,MAAM,CAAC,CAAC;IACxC,mDAAmD;IACnD,GAAG,EAAE,kBAAkB,CAAC;IACxB,yDAAyD;IACzD,KAAK,EAAE,oBAAoB,CAAC;IAC5B,wEAAwE;IACxE,MAAM,EAAE,qBAAqB,CAAC;IAC9B,oEAAoE;IACpE,MAAM,EAAE,qBAAqB,CAAC;IAC9B,gEAAgE;IAChE,OAAO,EAAE,sBAAsB,CAAC;IAChC,wDAAwD;IACxD,KAAK,EAAE;QACL,eAAe;QACf,GAAG,EAAE,MAAM,CAAC;QACZ,iBAAiB;QACjB,KAAK,EAAE,MAAM,CAAC;QACd,qBAAqB;QACrB,KAAK,EAAE,MAAM,CAAC;QACd;;;WAGG;QACH,mBAAmB,EAAE,MAAM,CAAC;QAC5B,kEAAkE;QAClE,cAAc,EAAE,MAAM,CAAC;QACvB,2EAA2E;QAC3E,eAAe,EAAE,MAAM,CAAC;QACxB,kDAAkD;QAClD,eAAe,EAAE,MAAM,CAAC;QACxB,sBAAsB;QACtB,MAAM,EAAE,MAAM,CAAC;KAChB,CAAC;IACF,gFAAgF;IAChF,MAAM,EAAE;QACN,oDAAoD;QACpD,GAAG,EAAE,MAAM,CAAC;QACZ,sDAAsD;QACtD,KAAK,EAAE,MAAM,CAAC;QACd,oDAAoD;QACpD,YAAY,EAAE,MAAM,CAAC;QACrB,yCAAyC;QACzC,KAAK,EAAE,MAAM,CAAC;QACd,qCAAqC;QACrC,eAAe,EAAE,MAAM,CAAC;QACxB,0BAA0B;QAC1B,gBAAgB,EAAE,MAAM,CAAC;QACzB,wCAAwC;QACxC,iBAAiB,EAAE,MAAM,CAAC;QAC1B,sDAAsD;QACtD,eAAe,EAAE,MAAM,CAAC;QACxB,sBAAsB;QACtB,MAAM,EAAE,MAAM,CAAC;QACf,oDAAoD;QACpD,WAAW,EAAE,MAAM,CAAC;QACpB,yEAAyE;QACzE,SAAS,EAAE,MAAM,CAAC;QAClB,iFAAiF;QACjF,MAAM,EAAE,MAAM,CAAC;QACf,iFAAiF;QACjF,QAAQ,EAAE,MAAM,CAAC;KAClB,CAAC;IACF,qDAAqD;IACrD,QAAQ,EAAE;QACR,2BAA2B;QAC3B,WAAW,EAAE,MAAM,CAAC;QACpB,yCAAyC;QACzC,YAAY,EAAE,MAAM,CAAC;QACrB,yCAAyC;QACzC,cAAc,EAAE,MAAM,CAAC;QACvB,uCAAuC;QACvC,SAAS,EAAE,MAAM,CAAC;QAClB,6CAA6C;QAC7C,aAAa,EAAE,MAAM,CAAC;QACtB,oDAAoD;QACpD,YAAY,EAAE,MAAM,CAAC;QACrB,uCAAuC;QACvC,QAAQ,EAAE,MAAM,CAAC;QACjB,sCAAsC;QACtC,WAAW,EAAE,MAAM,CAAC;QACpB,yBAAyB;QACzB,aAAa,EAAE,MAAM,CAAC;QACtB,4EAA4E;QAC5E,SAAS,EAAE,MAAM,CAAC;QAClB,yEAAyE;QACzE,YAAY,EAAE,MAAM,CAAC;QACrB;;;WAGG;QACH,SAAS,EAAE,MAAM,CAAC;KACnB,CAAC;IACF,6BAA6B;IAC7B,MAAM,EAAE;QACN,mCAAmC;QACnC,eAAe,EAAE,MAAM,CAAC;QACxB,0BAA0B;QAC1B,SAAS,EAAE,MAAM,CAAC;QAClB,6BAA6B;QAC7B,cAAc,EAAE,MAAM,CAAC;QACvB,+CAA+C;QAC/C,QAAQ,EAAE,MAAM,CAAC;QACjB,uCAAuC;QACvC,OAAO,EAAE,MAAM,CAAC;KACjB,CAAC;IACF,4CAA4C;IAC5C,IAAI,EAAE,MAAM,CAAC,kBAAkB,EAAE,cAAc,CAAC,CAAC;IACjD,sDAAsD;IACtD,KAAK,EAAE;QACL,8BAA8B;QAC9B,MAAM,EAAE,MAAM,CAAC;QACf,iCAAiC;QACjC,OAAO,EAAE,MAAM,CAAC;QAChB,+BAA+B;QAC/B,SAAS,EAAE,MAAM,CAAC;QAClB,4BAA4B;QAC5B,UAAU,EAAE,MAAM,CAAC;QACnB,kEAAkE;QAClE,MAAM,EAAE,MAAM,CAAC;KAChB,CAAC;CACH;AAED;;;;;;;;;GASG;AACH,eAAO,MAAM,eAAe,EAAE,cAuF7B,CAAC"}
|
|
@@ -47,6 +47,7 @@ export const PROJECTION_COPY = {
|
|
|
47
47
|
notOutlined: 'Not outlined: too few samples.',
|
|
48
48
|
projected: 'Hollow = added after the map was built',
|
|
49
49
|
shapes: 'Shape = what each mark is.',
|
|
50
|
+
shapedBy: 'Shape = {shapes}.',
|
|
50
51
|
},
|
|
51
52
|
sentence: {
|
|
52
53
|
sharesFirst: 'Component 1 accounts for {percent} of the differences between your samples.',
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"projectionCopy.js","sourceRoot":"","sources":["../../../src/projection/core/projectionCopy.ts"],"names":[],"mappings":"AAOA,OAAO,EACL,uBAAuB,EACvB,wBAAwB,EACxB,sBAAsB,EACtB,uBAAuB,GACxB,MAAM,2BAA2B,CAAC;AAKnC,OAAO,EACL,oBAAoB,EACpB,eAAe,EACf,oBAAoB,GACrB,MAAM,wBAAwB,CAAC;
|
|
1
|
+
{"version":3,"file":"projectionCopy.js","sourceRoot":"","sources":["../../../src/projection/core/projectionCopy.ts"],"names":[],"mappings":"AAOA,OAAO,EACL,uBAAuB,EACvB,wBAAwB,EACxB,sBAAsB,EACtB,uBAAuB,GACxB,MAAM,2BAA2B,CAAC;AAKnC,OAAO,EACL,oBAAoB,EACpB,eAAe,EACf,oBAAoB,GACrB,MAAM,wBAAwB,CAAC;AAkIhC;;;;;;;;;GASG;AACH,MAAM,CAAC,MAAM,eAAe,GAAmB;IAC7C,GAAG,EAAE;QACH,GAAG,EAAE,KAAK;QACV,KAAK,EAAE,WAAW;QAClB,KAAK,EAAE,YAAY;QACnB,SAAS,EAAE,cAAc;QACzB,MAAM,EAAE,wBAAwB;KACjC;IACD,QAAQ,EAAE,oBAAoB;IAC9B,GAAG,EAAE,oBAAoB;IACzB,KAAK,EAAE,sBAAsB;IAC7B,MAAM,EAAE,uBAAuB;IAC/B,MAAM,EAAE,uBAAuB;IAC/B,OAAO,EAAE,wBAAwB;IACjC,KAAK,EAAE;QACL,GAAG,EAAE,mLAAmL;QACxL,KAAK,EACH,+PAA+P;QACjQ,KAAK,EACH,gHAAgH;QAClH,mBAAmB,EACjB,mHAAmH;QACrH,cAAc,EACZ,8HAA8H;QAChI,eAAe,EACb,2JAA2J;QAC7J,eAAe,EACb,6GAA6G;QAC/G,MAAM,EACJ,8IAA8I;KACjJ;IACD,MAAM,EAAE;QACN,GAAG,EAAE,mHAAmH;QACxH,KAAK,EACH,gPAAgP;QAClP,YAAY,EAAE,oBAAoB;QAClC,KAAK,EACH,mHAAmH;QACrH,eAAe,EACb,sGAAsG;QACxG,gBAAgB,EACd,6GAA6G;QAC/G,iBAAiB,EACf,uHAAuH;QACzH,eAAe,EACb,8FAA8F;QAChG,MAAM,EACJ,sGAAsG;QACxG,WAAW,EAAE,gCAAgC;QAC7C,SAAS,EAAE,wCAAwC;QACnD,MAAM,EAAE,4BAA4B;QACpC,QAAQ,EAAE,mBAAmB;KAC9B;IACD,QAAQ,EAAE;QACR,WAAW,EACT,6EAA6E;QAC/E,YAAY,EACV,gHAAgH;QAClH,cAAc,EACZ,4GAA4G;QAC9G,SAAS,EAAE,sCAAsC;QACjD,aAAa,EAAE,kDAAkD;QACjE,YAAY,EAAE,WAAW;QACzB,QAAQ,EAAE,qBAAqB;QAC/B,WAAW,EAAE,yBAAyB;QACtC,aAAa,EAAE,wCAAwC;QACvD,SAAS,EACP,8HAA8H;QAChI,YAAY,EAAE,0BAA0B;QACxC,SAAS,EACP,kFAAkF;KACrF;IACD,MAAM,EAAE;QACN,eAAe,EAAE,mBAAmB;QACpC,SAAS,EAAE,YAAY;QACvB,cAAc,EAAE,iBAAiB;QACjC,QAAQ,EAAE,kBAAkB;QAC5B,OAAO,EAAE,SAAS;KACnB;IACD,IAAI,EAAE,eAAe;IACrB,KAAK,EAAE;QACL,MAAM,EAAE,QAAQ;QAChB,OAAO,EAAE,SAAS;QAClB,SAAS,EAAE,WAAW;QACtB,UAAU,EAAE,YAAY;QACxB,MAAM,EAAE,QAAQ;KACjB;CACF,CAAC"}
|
|
@@ -0,0 +1,44 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* How the groupings a page hands in become what a figure draws: the one that
|
|
3
|
+
* colours the dots, painted from the shared palette, and the one that shapes
|
|
4
|
+
* them, given one shape per group.
|
|
5
|
+
*
|
|
6
|
+
* Both are cut the same way — the page's own order first, then every group in
|
|
7
|
+
* the order its first row names it — so a group keeps its colour and its shape
|
|
8
|
+
* however the rows are filtered.
|
|
9
|
+
*/
|
|
10
|
+
import type { ProjectionGrouping, ProjectionSamples, ResolvedProjectionGroups, ResolvedProjectionShapes } from './projectionSamples.ts';
|
|
11
|
+
/**
|
|
12
|
+
* The grouping a set of samples is coloured by, in a shape a legend and a plot
|
|
13
|
+
* can both read.
|
|
14
|
+
*
|
|
15
|
+
* A group named in `order` but held by no row is kept, so a legend does not
|
|
16
|
+
* reshuffle when a filter empties one; a row naming a group that is not in
|
|
17
|
+
* `order` is appended in the order it appears.
|
|
18
|
+
* @param grouping - The grouping, or nothing when the dots are not coloured.
|
|
19
|
+
* @param count - How many rows there are, which is the score matrix's height.
|
|
20
|
+
* @returns The resolved groups. No grouping gives no entries at all, and every
|
|
21
|
+
* row lands at `-1`.
|
|
22
|
+
*/
|
|
23
|
+
export declare function resolveProjectionGroups(grouping: ProjectionGrouping | undefined, count: number): ResolvedProjectionGroups;
|
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24
|
+
/**
|
|
25
|
+
* The grouping a set of samples is shaped by, one shape per group.
|
|
26
|
+
*
|
|
27
|
+
* A grouping of more groups than there are shapes is refused as a whole rather
|
|
28
|
+
* than drawn with two groups sharing a shape, or with the last ones falling
|
|
29
|
+
* back to a disc: either would put two groups under one mark, which is the one
|
|
30
|
+
* thing a key cannot undo.
|
|
31
|
+
* @param grouping - The grouping, or nothing when the dots are not shaped.
|
|
32
|
+
* @param count - How many rows there are, which is the score matrix's height.
|
|
33
|
+
* @returns The resolved shapes, or `null` when there is no grouping or its
|
|
34
|
+
* groups outnumber the shapes.
|
|
35
|
+
*/
|
|
36
|
+
export declare function resolveProjectionShapes(grouping: ProjectionGrouping | undefined, count: number): ResolvedProjectionShapes | null;
|
|
37
|
+
/**
|
|
38
|
+
* The grouping carrying an id.
|
|
39
|
+
* @param samples - Who the rows are.
|
|
40
|
+
* @param id - The id asked for.
|
|
41
|
+
* @returns The grouping, or `undefined` when none carries it.
|
|
42
|
+
*/
|
|
43
|
+
export declare function projectionGrouping(samples: ProjectionSamples, id: string): ProjectionGrouping | undefined;
|
|
44
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+
//# sourceMappingURL=projectionGroupings.d.ts.map
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|
@@ -0,0 +1 @@
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|
1
|
+
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|