react-cheminfo 0.10.0 → 0.12.0
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 +25 -22
- package/bin/check-deploy.mjs +132 -0
- package/bin/check-tokens.mjs +16 -29
- package/bin/cli.mjs +43 -0
- package/lib/about/core/about.d.ts +27 -0
- package/lib/about/core/about.d.ts.map +1 -1
- package/lib/about/core/about.js +3 -0
- package/lib/about/core/about.js.map +1 -1
- package/lib/about/core/index.d.ts +3 -1
- package/lib/about/core/index.d.ts.map +1 -1
- package/lib/about/core/index.js +1 -0
- package/lib/about/core/index.js.map +1 -1
- package/lib/about/core/providers.d.ts +31 -0
- package/lib/about/core/providers.d.ts.map +1 -0
- package/lib/about/core/providers.js +28 -0
- package/lib/about/core/providers.js.map +1 -0
- package/lib/about/ui/AboutCitations.d.ts +4 -2
- package/lib/about/ui/AboutCitations.d.ts.map +1 -1
- package/lib/about/ui/AboutCitations.js +6 -20
- package/lib/about/ui/AboutCitations.js.map +1 -1
- package/lib/about/ui/AboutPage.d.ts +11 -3
- package/lib/about/ui/AboutPage.d.ts.map +1 -1
- package/lib/about/ui/AboutPage.js +15 -5
- package/lib/about/ui/AboutPage.js.map +1 -1
- package/lib/about/ui/AboutProvidedBy.d.ts +18 -0
- package/lib/about/ui/AboutProvidedBy.d.ts.map +1 -0
- package/lib/about/ui/AboutProvidedBy.js +81 -0
- package/lib/about/ui/AboutProvidedBy.js.map +1 -0
- package/lib/about/ui/index.d.ts +2 -0
- package/lib/about/ui/index.d.ts.map +1 -1
- package/lib/about/ui/index.js +1 -0
- package/lib/about/ui/index.js.map +1 -1
- package/lib/capsule/ui/CapsuleFilter.d.ts +48 -8
- package/lib/capsule/ui/CapsuleFilter.d.ts.map +1 -1
- package/lib/capsule/ui/CapsuleFilter.js +43 -12
- package/lib/capsule/ui/CapsuleFilter.js.map +1 -1
- package/lib/capsule/ui/index.d.ts +1 -1
- package/lib/capsule/ui/index.d.ts.map +1 -1
- package/lib/capsule/ui/index.js.map +1 -1
- package/lib/chart/core/chartAxisPair.d.ts +33 -0
- package/lib/chart/core/chartAxisPair.d.ts.map +1 -0
- package/lib/chart/core/chartAxisPair.js +35 -0
- package/lib/chart/core/chartAxisPair.js.map +1 -0
- package/lib/chart/core/chartAxisScale.d.ts.map +1 -1
- package/lib/chart/core/chartAxisScale.js +4 -9
- package/lib/chart/core/chartAxisScale.js.map +1 -1
- package/lib/chart/core/chartBins.d.ts.map +1 -1
- package/lib/chart/core/chartBins.js +2 -9
- package/lib/chart/core/chartBins.js.map +1 -1
- package/lib/chart/core/chartGroups.d.ts +16 -0
- package/lib/chart/core/chartGroups.d.ts.map +1 -0
- package/lib/chart/core/chartGroups.js +22 -0
- package/lib/chart/core/chartGroups.js.map +1 -0
- package/lib/chart/core/chartLabels.d.ts.map +1 -1
- package/lib/chart/core/chartLabels.js +3 -8
- package/lib/chart/core/chartLabels.js.map +1 -1
- package/lib/chart/core/chartPalette.d.ts +2 -2
- package/lib/chart/core/chartPalette.d.ts.map +1 -1
- package/lib/chart/core/chartPalette.js +4 -4
- package/lib/chart/core/chartPalette.js.map +1 -1
- package/lib/chart/core/chartScale.d.ts +12 -0
- package/lib/chart/core/chartScale.d.ts.map +1 -1
- package/lib/chart/core/chartScale.js +15 -0
- package/lib/chart/core/chartScale.js.map +1 -1
- package/lib/chart/core/matrix.d.ts +9 -0
- package/lib/chart/core/matrix.d.ts.map +1 -1
- package/lib/chart/core/matrix.js +23 -0
- package/lib/chart/core/matrix.js.map +1 -1
- package/lib/chart/ui/ChartAxis.js +3 -3
- package/lib/chart/ui/ChartAxis.js.map +1 -1
- package/lib/chart/ui/ChartFrame.d.ts +12 -0
- package/lib/chart/ui/ChartFrame.d.ts.map +1 -1
- package/lib/chart/ui/ChartFrame.js +9 -26
- package/lib/chart/ui/ChartFrame.js.map +1 -1
- package/lib/chart/ui/ChartSeriesMarks.d.ts.map +1 -1
- package/lib/chart/ui/ChartSeriesMarks.js +6 -6
- package/lib/chart/ui/ChartSeriesMarks.js.map +1 -1
- package/lib/chart/ui/ChartTrackingLayer.d.ts.map +1 -1
- package/lib/chart/ui/ChartTrackingLayer.js +2 -2
- package/lib/chart/ui/ChartTrackingLayer.js.map +1 -1
- package/lib/chart/ui/TrackedLineChart.d.ts +6 -1
- package/lib/chart/ui/TrackedLineChart.d.ts.map +1 -1
- package/lib/chart/ui/TrackedLineChart.js +2 -2
- package/lib/chart/ui/TrackedLineChart.js.map +1 -1
- package/lib/chart/ui/TrackedStickChart.d.ts +5 -1
- package/lib/chart/ui/TrackedStickChart.d.ts.map +1 -1
- package/lib/chart/ui/TrackedStickChart.js +2 -2
- package/lib/chart/ui/TrackedStickChart.js.map +1 -1
- package/lib/chart/ui/chartFrameGeometry.d.ts +19 -0
- package/lib/chart/ui/chartFrameGeometry.d.ts.map +1 -0
- package/lib/chart/ui/chartFrameGeometry.js +41 -0
- package/lib/chart/ui/chartFrameGeometry.js.map +1 -0
- package/lib/chart/ui/index.d.ts +3 -1
- package/lib/chart/ui/index.d.ts.map +1 -1
- package/lib/chart/ui/index.js +1 -0
- package/lib/chart/ui/index.js.map +1 -1
- package/lib/chart/ui/stickChartModel.d.ts +3 -12
- package/lib/chart/ui/stickChartModel.d.ts.map +1 -1
- package/lib/chart/ui/stickChartModel.js +19 -21
- package/lib/chart/ui/stickChartModel.js.map +1 -1
- package/lib/chart/ui/useWheelZoom.d.ts +2 -1
- package/lib/chart/ui/useWheelZoom.d.ts.map +1 -1
- package/lib/chart/ui/useWheelZoom.js +26 -45
- package/lib/chart/ui/useWheelZoom.js.map +1 -1
- package/lib/chart/ui/wheelDwell.d.ts +77 -0
- package/lib/chart/ui/wheelDwell.d.ts.map +1 -0
- package/lib/chart/ui/wheelDwell.js +85 -0
- package/lib/chart/ui/wheelDwell.js.map +1 -0
- package/lib/chrome/ui/NavLink.d.ts.map +1 -1
- package/lib/chrome/ui/NavLink.js +8 -4
- package/lib/chrome/ui/NavLink.js.map +1 -1
- package/lib/chrome/ui/NavMenuButton.d.ts +6 -0
- package/lib/chrome/ui/NavMenuButton.d.ts.map +1 -1
- package/lib/chrome/ui/NavMenuButton.js +10 -3
- package/lib/chrome/ui/NavMenuButton.js.map +1 -1
- package/lib/chrome/ui/SiteFooter.d.ts +8 -0
- package/lib/chrome/ui/SiteFooter.d.ts.map +1 -1
- package/lib/chrome/ui/SiteFooter.js +7 -2
- package/lib/chrome/ui/SiteFooter.js.map +1 -1
- package/lib/chrome/ui/SiteHeader.d.ts +21 -0
- package/lib/chrome/ui/SiteHeader.d.ts.map +1 -1
- package/lib/chrome/ui/SiteHeader.js +13 -3
- package/lib/chrome/ui/SiteHeader.js.map +1 -1
- package/lib/chrome/ui/navItem.d.ts +17 -3
- package/lib/chrome/ui/navItem.d.ts.map +1 -1
- package/lib/chrome/ui/navItem.js.map +1 -1
- 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/citation/core/openchemlibPaper.d.ts +10 -0
- package/lib/citation/core/openchemlibPaper.d.ts.map +1 -0
- package/lib/citation/core/openchemlibPaper.js +29 -0
- package/lib/citation/core/openchemlibPaper.js.map +1 -0
- package/lib/citation/core/platformPaper.d.ts +2 -2
- package/lib/citation/core/platformPaper.js +2 -2
- package/lib/clipboard/core/clipboardItem.d.ts +13 -0
- package/lib/clipboard/core/clipboardItem.d.ts.map +1 -0
- package/lib/clipboard/core/clipboardItem.js +26 -0
- package/lib/clipboard/core/clipboardItem.js.map +1 -0
- package/lib/clipboard/core/index.d.ts +3 -0
- package/lib/clipboard/core/index.d.ts.map +1 -1
- package/lib/clipboard/core/index.js +1 -0
- package/lib/clipboard/core/index.js.map +1 -1
- package/lib/clipboard/core/writeBlobToClipboard.d.ts +23 -0
- package/lib/clipboard/core/writeBlobToClipboard.d.ts.map +1 -0
- package/lib/clipboard/core/writeBlobToClipboard.js +29 -0
- package/lib/clipboard/core/writeBlobToClipboard.js.map +1 -0
- package/lib/clipboard/core/writeToClipboard.d.ts +22 -7
- package/lib/clipboard/core/writeToClipboard.d.ts.map +1 -1
- package/lib/clipboard/core/writeToClipboard.js +20 -7
- package/lib/clipboard/core/writeToClipboard.js.map +1 -1
- package/lib/clipboard/ui/CodeBlock.d.ts +1 -0
- package/lib/clipboard/ui/CodeBlock.d.ts.map +1 -1
- package/lib/clipboard/ui/CodeBlock.js +5 -11
- package/lib/clipboard/ui/CodeBlock.js.map +1 -1
- package/lib/clipboard/ui/CopyButton.d.ts +8 -1
- package/lib/clipboard/ui/CopyButton.d.ts.map +1 -1
- package/lib/clipboard/ui/CopyButton.js +31 -8
- package/lib/clipboard/ui/CopyButton.js.map +1 -1
- package/lib/clipboard/ui/CopyableValue.d.ts +51 -0
- package/lib/clipboard/ui/CopyableValue.d.ts.map +1 -0
- package/lib/clipboard/ui/CopyableValue.js +51 -0
- package/lib/clipboard/ui/CopyableValue.js.map +1 -0
- package/lib/clipboard/ui/copyFeedback.d.ts +38 -0
- package/lib/clipboard/ui/copyFeedback.d.ts.map +1 -0
- package/lib/clipboard/ui/copyFeedback.js +40 -0
- package/lib/clipboard/ui/copyFeedback.js.map +1 -0
- package/lib/clipboard/ui/index.d.ts +3 -1
- package/lib/clipboard/ui/index.d.ts.map +1 -1
- package/lib/clipboard/ui/index.js +1 -0
- package/lib/clipboard/ui/index.js.map +1 -1
- package/lib/clipboard/ui/useCopyToClipboard.d.ts +23 -7
- package/lib/clipboard/ui/useCopyToClipboard.d.ts.map +1 -1
- package/lib/clipboard/ui/useCopyToClipboard.js +33 -20
- package/lib/clipboard/ui/useCopyToClipboard.js.map +1 -1
- package/lib/color/core/hex.d.ts +10 -0
- package/lib/color/core/hex.d.ts.map +1 -1
- package/lib/color/core/hex.js +19 -3
- package/lib/color/core/hex.js.map +1 -1
- package/lib/color/core/hsv.d.ts.map +1 -1
- package/lib/color/core/hsv.js +4 -10
- package/lib/color/core/hsv.js.map +1 -1
- package/lib/color/core/index.d.ts +2 -2
- package/lib/color/core/index.d.ts.map +1 -1
- package/lib/color/core/index.js +2 -2
- package/lib/color/core/index.js.map +1 -1
- package/lib/color/core/interpolate.d.ts.map +1 -1
- package/lib/color/core/interpolate.js +2 -6
- package/lib/color/core/interpolate.js.map +1 -1
- package/lib/color/core/scale.d.ts +0 -28
- package/lib/color/core/scale.d.ts.map +1 -1
- package/lib/color/core/scale.js +3 -38
- package/lib/color/core/scale.js.map +1 -1
- package/lib/color/core/scaleText.d.ts.map +1 -1
- package/lib/color/core/scaleText.js +4 -5
- package/lib/color/core/scaleText.js.map +1 -1
- package/lib/color/ui/ColorScaleBar.d.ts +5 -0
- package/lib/color/ui/ColorScaleBar.d.ts.map +1 -1
- package/lib/color/ui/ColorScaleBar.js +2 -2
- package/lib/color/ui/ColorScaleBar.js.map +1 -1
- package/lib/color/ui/ColorScaleEditor.d.ts +5 -0
- package/lib/color/ui/ColorScaleEditor.d.ts.map +1 -1
- package/lib/color/ui/ColorScaleEditor.js +9 -13
- package/lib/color/ui/ColorScaleEditor.js.map +1 -1
- package/lib/color/ui/ColorScaleEntry.d.ts +28 -0
- package/lib/color/ui/ColorScaleEntry.d.ts.map +1 -0
- package/lib/color/ui/ColorScaleEntry.js +28 -0
- package/lib/color/ui/ColorScaleEntry.js.map +1 -0
- package/lib/color/ui/ColorScaleLegend.d.ts +14 -3
- package/lib/color/ui/ColorScaleLegend.d.ts.map +1 -1
- package/lib/color/ui/ColorScaleLegend.js +46 -16
- package/lib/color/ui/ColorScaleLegend.js.map +1 -1
- package/lib/color/ui/ColorScaleSelect.d.ts +5 -0
- package/lib/color/ui/ColorScaleSelect.d.ts.map +1 -1
- package/lib/color/ui/ColorScaleSelect.js +7 -36
- package/lib/color/ui/ColorScaleSelect.js.map +1 -1
- package/lib/confirm/ui/ConfirmButton.d.ts +34 -0
- package/lib/confirm/ui/ConfirmButton.d.ts.map +1 -0
- package/lib/confirm/ui/ConfirmButton.js +32 -0
- package/lib/confirm/ui/ConfirmButton.js.map +1 -0
- package/lib/confirm/ui/index.d.ts +3 -0
- package/lib/confirm/ui/index.d.ts.map +1 -0
- package/lib/confirm/ui/index.js +2 -0
- package/lib/confirm/ui/index.js.map +1 -0
- package/lib/core.d.ts +4 -1
- package/lib/core.d.ts.map +1 -1
- package/lib/core.js +6 -1
- package/lib/core.js.map +1 -1
- package/lib/credits/core/credits.d.ts +8 -3
- package/lib/credits/core/credits.d.ts.map +1 -1
- package/lib/credits/core/credits.js +9 -3
- package/lib/credits/core/credits.js.map +1 -1
- package/lib/credits/ui/CreditsList.d.ts.map +1 -1
- package/lib/credits/ui/CreditsList.js +4 -2
- package/lib/credits/ui/CreditsList.js.map +1 -1
- package/lib/delimited/core/index.d.ts +2 -4
- package/lib/delimited/core/index.d.ts.map +1 -1
- package/lib/delimited/core/index.js +2 -3
- package/lib/delimited/core/index.js.map +1 -1
- package/lib/delimited/ui/DelimitedTextDialog.d.ts.map +1 -1
- package/lib/delimited/ui/DelimitedTextDialog.js +2 -2
- package/lib/delimited/ui/DelimitedTextDialog.js.map +1 -1
- package/lib/delimited/ui/DelimitedTextPanel.d.ts +5 -0
- package/lib/delimited/ui/DelimitedTextPanel.d.ts.map +1 -1
- package/lib/delimited/ui/DelimitedTextPanel.js +10 -6
- package/lib/delimited/ui/DelimitedTextPanel.js.map +1 -1
- package/lib/deploy/core/checkDeploy.d.ts +20 -0
- package/lib/deploy/core/checkDeploy.d.ts.map +1 -0
- package/lib/deploy/core/checkDeploy.js +74 -0
- package/lib/deploy/core/checkDeploy.js.map +1 -0
- package/lib/deploy/core/composeDocument.d.ts +40 -0
- package/lib/deploy/core/composeDocument.d.ts.map +1 -0
- package/lib/deploy/core/composeDocument.js +125 -0
- package/lib/deploy/core/composeDocument.js.map +1 -0
- package/lib/deploy/core/composeFile.d.ts +25 -0
- package/lib/deploy/core/composeFile.d.ts.map +1 -0
- package/lib/deploy/core/composeFile.js +138 -0
- package/lib/deploy/core/composeFile.js.map +1 -0
- package/lib/deploy/core/envExample.d.ts +10 -0
- package/lib/deploy/core/envExample.d.ts.map +1 -0
- package/lib/deploy/core/envExample.js +36 -0
- package/lib/deploy/core/envExample.js.map +1 -0
- package/lib/deploy/core/index.d.ts +4 -0
- package/lib/deploy/core/index.d.ts.map +1 -0
- package/lib/deploy/core/index.js +3 -0
- package/lib/deploy/core/index.js.map +1 -0
- package/lib/deploy/core/markers.d.ts +10 -0
- package/lib/deploy/core/markers.d.ts.map +1 -0
- package/lib/deploy/core/markers.js +21 -0
- package/lib/deploy/core/markers.js.map +1 -0
- package/lib/deploy/core/types.d.ts +70 -0
- package/lib/deploy/core/types.d.ts.map +1 -0
- package/lib/deploy/core/types.js +10 -0
- package/lib/deploy/core/types.js.map +1 -0
- package/lib/disclosure/ui/CollapsibleSection.d.ts.map +1 -1
- package/lib/disclosure/ui/CollapsibleSection.js +2 -3
- package/lib/disclosure/ui/CollapsibleSection.js.map +1 -1
- package/lib/download/core/figureLegend.d.ts +90 -0
- package/lib/download/core/figureLegend.d.ts.map +1 -0
- package/lib/download/core/figureLegend.js +77 -0
- package/lib/download/core/figureLegend.js.map +1 -0
- package/lib/download/core/figureSvg.d.ts.map +1 -1
- package/lib/download/core/figureSvg.js +71 -1
- package/lib/download/core/figureSvg.js.map +1 -1
- package/lib/download/core/figureSvgDocument.d.ts +9 -2
- package/lib/download/core/figureSvgDocument.d.ts.map +1 -1
- package/lib/download/core/figureSvgDocument.js +4 -1
- package/lib/download/core/figureSvgDocument.js.map +1 -1
- package/lib/download/core/figureTarget.d.ts +11 -0
- package/lib/download/core/figureTarget.d.ts.map +1 -1
- package/lib/download/core/figureTarget.js +19 -0
- package/lib/download/core/figureTarget.js.map +1 -1
- package/lib/download/core/index.d.ts +3 -1
- package/lib/download/core/index.d.ts.map +1 -1
- package/lib/download/core/index.js +2 -1
- package/lib/download/core/index.js.map +1 -1
- package/lib/download/ui/FigureDownloadPanel.d.ts +6 -0
- package/lib/download/ui/FigureDownloadPanel.d.ts.map +1 -1
- package/lib/download/ui/FigureDownloadPanel.js +8 -4
- package/lib/download/ui/FigureDownloadPanel.js.map +1 -1
- package/lib/ecosystem/core/groups.d.ts +30 -0
- package/lib/ecosystem/core/groups.d.ts.map +1 -0
- package/lib/ecosystem/core/groups.js +42 -0
- package/lib/ecosystem/core/groups.js.map +1 -0
- package/lib/ecosystem/core/index.d.ts +7 -3
- package/lib/ecosystem/core/index.d.ts.map +1 -1
- package/lib/ecosystem/core/index.js +4 -3
- package/lib/ecosystem/core/index.js.map +1 -1
- package/lib/ecosystem/core/lookup.d.ts +21 -0
- package/lib/ecosystem/core/lookup.d.ts.map +1 -1
- package/lib/ecosystem/core/lookup.js +29 -0
- package/lib/ecosystem/core/lookup.js.map +1 -1
- package/lib/ecosystem/core/nameColors.d.ts +33 -0
- package/lib/ecosystem/core/nameColors.d.ts.map +1 -0
- package/lib/ecosystem/core/nameColors.js +23 -0
- package/lib/ecosystem/core/nameColors.js.map +1 -0
- package/lib/ecosystem/core/sites.d.ts +2 -47
- package/lib/ecosystem/core/sites.d.ts.map +1 -1
- package/lib/ecosystem/core/sites.js +47 -4
- package/lib/ecosystem/core/sites.js.map +1 -1
- package/lib/ecosystem/core/tokens.d.ts +0 -8
- package/lib/ecosystem/core/tokens.d.ts.map +1 -1
- package/lib/ecosystem/core/tokens.js +0 -10
- package/lib/ecosystem/core/tokens.js.map +1 -1
- package/lib/ecosystem/core/types.d.ts +71 -0
- package/lib/ecosystem/core/types.d.ts.map +1 -0
- package/lib/ecosystem/core/types.js +2 -0
- package/lib/ecosystem/core/types.js.map +1 -0
- package/lib/ecosystem/ui/EcosystemButton.d.ts +6 -0
- package/lib/ecosystem/ui/EcosystemButton.d.ts.map +1 -1
- package/lib/ecosystem/ui/EcosystemButton.js +3 -2
- package/lib/ecosystem/ui/EcosystemButton.js.map +1 -1
- package/lib/ecosystem/ui/EcosystemLinks.d.ts +12 -6
- package/lib/ecosystem/ui/EcosystemLinks.d.ts.map +1 -1
- package/lib/ecosystem/ui/EcosystemLinks.js +27 -21
- package/lib/ecosystem/ui/EcosystemLinks.js.map +1 -1
- package/lib/ecosystem/ui/EcosystemMenu.d.ts +15 -5
- package/lib/ecosystem/ui/EcosystemMenu.d.ts.map +1 -1
- package/lib/ecosystem/ui/EcosystemMenu.js +19 -24
- package/lib/ecosystem/ui/EcosystemMenu.js.map +1 -1
- package/lib/ecosystem/ui/SiteGroupGrid.d.ts +30 -0
- package/lib/ecosystem/ui/SiteGroupGrid.d.ts.map +1 -0
- package/lib/ecosystem/ui/SiteGroupGrid.js +23 -0
- package/lib/ecosystem/ui/SiteGroupGrid.js.map +1 -0
- package/lib/ecosystem/ui/SiteGroupSection.d.ts +20 -0
- package/lib/ecosystem/ui/SiteGroupSection.d.ts.map +1 -0
- package/lib/ecosystem/ui/SiteGroupSection.js +44 -0
- package/lib/ecosystem/ui/SiteGroupSection.js.map +1 -0
- package/lib/ecosystem/ui/SiteTheme.d.ts +1 -0
- package/lib/ecosystem/ui/SiteTheme.d.ts.map +1 -1
- package/lib/ecosystem/ui/SiteTheme.js.map +1 -1
- package/lib/ecosystem/ui/SiteTile.d.ts +6 -0
- package/lib/ecosystem/ui/SiteTile.d.ts.map +1 -1
- package/lib/ecosystem/ui/SiteTile.js +14 -8
- package/lib/ecosystem/ui/SiteTile.js.map +1 -1
- package/lib/ecosystem/ui/Wordmark.d.ts +1 -0
- package/lib/ecosystem/ui/Wordmark.d.ts.map +1 -1
- package/lib/ecosystem/ui/Wordmark.js +5 -5
- package/lib/ecosystem/ui/Wordmark.js.map +1 -1
- package/lib/ecosystem/ui/ecosystemStyles.d.ts +4 -0
- package/lib/ecosystem/ui/ecosystemStyles.d.ts.map +1 -0
- package/lib/ecosystem/ui/ecosystemStyles.js +9 -0
- package/lib/ecosystem/ui/ecosystemStyles.js.map +1 -0
- package/lib/ecosystem/ui/glyphs.d.ts.map +1 -1
- package/lib/ecosystem/ui/glyphs.js +12 -3
- package/lib/ecosystem/ui/glyphs.js.map +1 -1
- package/lib/ecosystem/ui/marks.d.ts +6 -0
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- package/src/spectra/core/problems.ts +43 -6
- package/src/spectra/core/settings.ts +19 -16
- package/src/spectra/core/settingsProblems.ts +64 -55
- package/src/spectra/core/stepProblems.ts +34 -50
- package/src/spectra/core/zones.ts +64 -0
- package/src/spectra/ui/CalculationRows.tsx +45 -99
- package/src/spectra/ui/EditableRows.tsx +118 -0
- package/src/spectra/ui/FilterChainEditor.tsx +26 -55
- package/src/spectra/ui/FilterChoiceControl.tsx +12 -36
- package/src/spectra/ui/FilterFieldControl.tsx +6 -39
- package/src/spectra/ui/FilterRow.tsx +10 -21
- package/src/spectra/ui/MatrixFilterRows.tsx +40 -50
- package/src/spectra/ui/NormalizationEditor.tsx +13 -35
- package/src/spectra/ui/NumberField.tsx +5 -20
- package/src/spectra/ui/PostProcessingEditor.tsx +5 -5
- package/src/spectra/ui/PrincipalComponentSelect.tsx +18 -33
- package/src/spectra/ui/ProblemList.tsx +22 -8
- package/src/spectra/ui/RangeRows.tsx +46 -125
- package/src/spectra/ui/ScaleFields.tsx +16 -67
- package/src/spectra/ui/SettingsPart.tsx +8 -13
- package/src/spectra/ui/SpectraSettingsEditor.tsx +8 -2
- package/src/spectra/ui/SpectrumSelection.tsx +10 -25
- package/src/spectra/ui/XWindowFields.tsx +73 -0
- package/src/spectra/ui/ZoneRows.tsx +41 -106
- package/src/spectra/ui/fieldStyles.ts +72 -0
- package/src/spectra/ui/problemsAbout.ts +9 -11
- package/src/spectra/ui/rowKeys.ts +51 -20
- package/src/spectra/ui/scaleOptions.ts +16 -10
- package/src/spectra.ts +13 -0
- package/src/state/core/index.ts +11 -0
- package/src/state/{ui → core}/persistBucket.ts +13 -62
- package/src/state/core/persistSignalBucket.ts +118 -0
- package/src/state/core/storageEntry.ts +93 -0
- package/src/structure/core/atomLabels.ts +63 -0
- package/src/structure/core/editorValue.ts +5 -1
- package/src/structure/core/index.ts +11 -2
- package/src/structure/core/readStructure.ts +1 -0
- package/src/structure/core/structureError.ts +58 -0
- package/src/structure/core/structureSource.ts +20 -5
- package/src/structure/ui/EditorCanvas.tsx +1 -1
- package/src/structure/ui/Structure.tsx +41 -0
- package/src/structure/ui/StructureEditor.tsx +13 -4
- package/src/structure/ui/StructurePlaceholder.tsx +4 -2
- package/src/structure/ui/StructureSvg.tsx +118 -42
- package/src/structure/ui/useToolbarFloor.ts +1 -0
- package/src/tokens/core/checkTokens.ts +48 -51
- package/src/tokens/core/colors.ts +1 -1
- package/src/tokens/core/cssReading.ts +166 -0
- package/src/tokens/core/familyTokens.ts +69 -0
- package/src/tokens/core/index.ts +9 -5
- package/src/tokens/core/rules.ts +2 -2
- package/src/tokens/core/types.ts +7 -0
- package/src/ui.ts +9 -2
- package/src/worker/core/chunks.ts +126 -0
- package/src/worker/core/index.ts +20 -3
- package/src/worker/core/messages.ts +79 -4
- package/src/worker/core/serveWorkerRequests.ts +144 -0
- package/src/worker/core/workerChannel.ts +209 -177
- package/src/worker/core/workerChannelParts.ts +183 -0
- package/src/worker/core/workerChannelTypes.ts +129 -0
- package/styles/chrome.css +111 -4
- package/lib/delimited/core/rowsToDelimited.d.ts +0 -59
- package/lib/delimited/core/rowsToDelimited.d.ts.map +0 -1
- package/lib/delimited/core/rowsToDelimited.js +0 -87
- package/lib/delimited/core/rowsToDelimited.js.map +0 -1
- package/lib/ecosystem/core/links.d.ts +0 -11
- package/lib/ecosystem/core/links.d.ts.map +0 -1
- package/lib/ecosystem/core/links.js +0 -28
- package/lib/ecosystem/core/links.js.map +0 -1
- package/lib/error/ui/toError.d.ts +0 -11
- package/lib/error/ui/toError.d.ts.map +0 -1
- package/lib/error/ui/toError.js.map +0 -1
- package/lib/pedagogy/core/jsonStorage.d.ts +0 -21
- package/lib/pedagogy/core/jsonStorage.d.ts.map +0 -1
- package/lib/pedagogy/core/jsonStorage.js +0 -55
- package/lib/pedagogy/core/jsonStorage.js.map +0 -1
- package/lib/router/core/pageAddresses.d.ts +0 -50
- package/lib/router/core/pageAddresses.d.ts.map +0 -1
- package/lib/router/core/pageAddresses.js +0 -56
- package/lib/router/core/pageAddresses.js.map +0 -1
- package/lib/scatter/ui/scatterGroupSpread.d.ts.map +0 -1
- package/lib/scatter/ui/scatterGroupSpread.js +0 -147
- package/lib/scatter/ui/scatterGroupSpread.js.map +0 -1
- package/lib/spectra/ui/matrixSteps.d.ts +0 -61
- package/lib/spectra/ui/matrixSteps.d.ts.map +0 -1
- package/lib/spectra/ui/matrixSteps.js +0 -92
- package/lib/spectra/ui/matrixSteps.js.map +0 -1
- package/lib/state/ui/index.d.ts +0 -3
- package/lib/state/ui/index.d.ts.map +0 -1
- package/lib/state/ui/index.js +0 -2
- package/lib/state/ui/index.js.map +0 -1
- package/lib/state/ui/mergeStored.d.ts.map +0 -1
- package/lib/state/ui/mergeStored.js.map +0 -1
- package/lib/state/ui/persistBucket.d.ts.map +0 -1
- package/lib/state/ui/persistBucket.js +0 -90
- package/lib/state/ui/persistBucket.js.map +0 -1
- package/src/delimited/core/rowsToDelimited.ts +0 -135
- package/src/ecosystem/core/links.ts +0 -29
- package/src/pedagogy/core/jsonStorage.ts +0 -51
- package/src/router/core/pageAddresses.ts +0 -106
- package/src/scatter/ui/scatterGroupSpread.ts +0 -206
- package/src/spectra/ui/matrixSteps.ts +0 -128
- package/src/state/ui/index.ts +0 -6
- /package/lib/state/{ui → core}/mergeStored.d.ts +0 -0
- /package/lib/state/{ui → core}/mergeStored.js +0 -0
- /package/lib/state/{ui → core}/persistBucket.d.ts +0 -0
- /package/src/state/{ui → core}/mergeStored.ts +0 -0
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import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
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/**
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* The molstar canvas showing one atomic orbital.
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import {
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import { PHASE_PALETTES } from "../core/palette.js";
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import { AtomicOrbitalControls } from "./AtomicOrbitalControls.js";
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import { fitAxes, resolutionKey } from "./orbitalCanvasHelpers.js";
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import { createOrbitalViewer } from "./viewer.js";
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/**
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* Mount one molstar canvas and keep it showing the orbital named by the props.
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export function AtomicOrbitalCanvas(props) {
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const { atomicNumber, orbitalId, palette = PHASE_PALETTES.textbook, resolution = DEFAULT_RESOLUTION, axes: initialAxes = true, spinning = false, spinSpeed = DEFAULT_SPIN_SPEED, sample = sampleInProcess, onAxesChange, onNodeRadii,
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const { atomicNumber, orbitalId, palette = PHASE_PALETTES.textbook, resolution = DEFAULT_RESOLUTION, axes: initialAxes = true, spinning = false, spinSpeed = DEFAULT_SPIN_SPEED, sample = sampleInProcess, onAxesChange, onNodeRadii, onFailureChange, } = props;
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const containerRef = useRef(null);
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const [drawn, setDrawn] = useState(null);
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const busy = drawn !== wanted;
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// Callbacks are read through refs so a caller passing an inline arrow does
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const viewer = createOrbitalViewer(container);
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callbacks.current.onNodeRadii?.(result.nodeRadii);
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useEffect(() => {
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return (_jsxs("div", { ref: containerRef, style: CANVAS_STYLE, children: [busy && _jsx("div", { style: BUSY_STYLE, children: "Sampling\u2026" }),
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return (_jsxs("div", { ref: containerRef, style: CANVAS_STYLE, children: [busy && _jsx("div", { style: BUSY_STYLE, children: "Sampling\u2026" }), _jsx(AtomicOrbitalControls, { axes: axes, onToggleAxes: () => {
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}
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title: 'Cartesian axes',
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body: 'Draw x, y and z through the nucleus. The label names an orbital by where its lobes sit against them.',
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example: {
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note: 'four lobes between the y and z axes, none on either.',
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/**
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}
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/**
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* A square, centred stage: an atomic orbital is as tall as it is wide, so a
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/**
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*/
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background:
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{"version":3,"file":"AtomicOrbitalCanvas.js","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalCanvas.tsx"],"names":[],"mappings":";
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{"version":3,"file":"AtomicOrbitalCanvas.js","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalCanvas.tsx"],"names":[],"mappings":";AASA,OAAO,EAAE,SAAS,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,OAAO,CAAC;AAEpD,OAAO,EAAE,YAAY,EAAE,MAAM,2BAA2B,CAAC;AACzD,OAAO,EAAE,iBAAiB,EAAE,MAAM,qCAAqC,CAAC;AACxE,OAAO,EAAE,KAAK,EAAE,MAAM,mCAAmC,CAAC;AAG1D,OAAO,EAAE,cAAc,EAAE,MAAM,oBAAoB,CAAC;AAEpD,OAAO,EAAE,eAAe,EAAE,MAAM,mBAAmB,CAAC;AAEpD,OAAO,EAAE,qBAAqB,EAAE,MAAM,4BAA6B,CAAC;AACpE,OAAO,EAAE,kBAAkB,EAAE,MAAM,aAAa,CAAC;AACjD,OAAO,EAAE,OAAO,EAAE,aAAa,EAAE,MAAM,2BAA2B,CAAC;AAEnE,OAAO,EAAE,mBAAmB,EAAE,MAAM,aAAa,CAAC;AAuElD;;;;GAIG;AACH,MAAM,UAAU,mBAAmB,CACjC,KAA+B;IAE/B,MAAM,EACJ,YAAY,EACZ,SAAS,EACT,OAAO,GAAG,cAAc,CAAC,QAAQ,EACjC,UAAU,GAAG,kBAAkB,EAC/B,IAAI,EAAE,WAAW,GAAG,IAAI,EACxB,QAAQ,GAAG,KAAK,EAChB,SAAS,GAAG,kBAAkB,EAC9B,MAAM,GAAG,eAAe,EACxB,YAAY,EACZ,WAAW,EACX,eAAe,GAChB,GAAG,KAAK,CAAC;IAEV,MAAM,YAAY,GAAG,MAAM,CAAiB,IAAI,CAAC,CAAC;IAClD,MAAM,SAAS,GAAG,MAAM,CAAuB,IAAI,CAAC,CAAC;IACrD,MAAM,CAAC,KAAK,EAAE,QAAQ,CAAC,GAAG,QAAQ,CAAgB,IAAI,CAAC,CAAC;IAExD,4EAA4E;IAC5E,0EAA0E;IAC1E,yEAAyE;IACzE,+CAA+C;IAC/C,MAAM,QAAQ,GAAG,MAAM,CAAgB,IAAI,CAAC,CAAC;IAC7C,MAAM,OAAO,GAAG,MAAM,CAAC,WAAW,CAAC,CAAC;IAEpC,MAAM,CAAC,IAAI,EAAE,OAAO,CAAC,GAAG,QAAQ,CAAC,WAAW,CAAC,CAAC;IAE9C,yEAAyE;IACzE,8EAA8E;IAC9E,MAAM,MAAM,GAAG,GAAG,YAAY,IAAI,SAAS,IAAI,aAAa,CAAC,UAAU,CAAC,IAAI,OAAO,CAAC,EAAE,EAAE,CAAC;IACzF,MAAM,IAAI,GAAG,KAAK,KAAK,MAAM,CAAC;IAE9B,2EAA2E;IAC3E,2DAA2D;IAC3D,MAAM,SAAS,GAAG,MAAM,CAAC,EAAE,YAAY,EAAE,WAAW,EAAE,eAAe,EAAE,CAAC,CAAC;IACzE,SAAS,CAAC,GAAG,EAAE;QACb,SAAS,CAAC,OAAO,GAAG,EAAE,YAAY,EAAE,WAAW,EAAE,eAAe,EAAE,CAAC;IACrE,CAAC,CAAC,CAAC;IAEH,mEAAmE;IACnE,2EAA2E;IAC3E,wDAAwD;IACxD,SAAS,CAAC,GAAG,EAAE;QACb,MAAM,SAAS,GAAG,YAAY,CAAC,OAAO,CAAC;QACvC,IAAI,SAAS,KAAK,IAAI;YAAE,OAAO;QAC/B,MAAM,MAAM,GAAG,mBAAmB,CAAC,SAAS,CAAC,CAAC;QAC9C,SAAS,CAAC,OAAO,GAAG,MAAM,CAAC;QAC3B,OAAO,GAAG,EAAE;YACV,SAAS,CAAC,OAAO,GAAG,IAAI,CAAC;YACzB,MAAM,CAAC,OAAO,EAAE,CAAC;QACnB,CAAC,CAAC;IACJ,CAAC,EAAE,EAAE,CAAC,CAAC;IAEP,iBAAiB,CAAC,YAAY,EAAE,GAAG,EAAE;QACnC,SAAS,CAAC,OAAO,EAAE,YAAY,EAAE,CAAC;IACpC,CAAC,CAAC,CAAC;IAEH,SAAS,CAAC,GAAG,EAAE;QACb,MAAM,MAAM,GAAG,SAAS,CAAC,OAAO,CAAC;QACjC,IAAI,MAAM,KAAK,IAAI;YAAE,OAAO;QAC5B,IAAI,SAAS,GAAG,KAAK,CAAC;QACtB,KAAK,MAAM,CAAC,EAAE,YAAY,EAAE,SAAS,EAAE,UAAU,EAAE,CAAC;aACjD,IAAI,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE;YACrB,IAAI,SAAS;gBAAE,OAAO;YACtB,SAAS,CAAC,OAAO,CAAC,WAAW,EAAE,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;YAClD,MAAM,KAAK,GAAG,MAAM,MAAM,CAAC,WAAW,CAAC,MAAM,CAAC,IAAI,EAAE,MAAM,CAAC,OAAO,EAAE;gBAClE,aAAa,EAAE,OAAO,CAAC,QAAQ;gBAC/B,aAAa,EAAE,OAAO,CAAC,QAAQ;aAChC,CAAC,CAAC;YACH,QAAQ,CAAC,OAAO,GAAG,KAAK,IAAI,IAAI,CAAC;YACjC,MAAM,MAAM,CAAC,KAAK,CAAC,MAAM,OAAO,CAAC,MAAM,EAAE,KAAK,EAAE,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC;YAClE,IAAI,SAAS;gBAAE,OAAO;YACtB,QAAQ,CAAC,MAAM,CAAC,CAAC;YACjB,SAAS,CAAC,OAAO,CAAC,eAAe,EAAE,CAAC,IAAI,CAAC,CAAC;QAC5C,CAAC,CAAC;aACD,KAAK,CAAC,CAAC,KAAc,EAAE,EAAE;YACxB,IAAI,SAAS;gBAAE,OAAO;YACtB,SAAS,CAAC,OAAO,CAAC,eAAe,EAAE,CAAC,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;QAC3D,CAAC,CAAC,CAAC;QACL,OAAO,GAAG,EAAE;YACV,SAAS,GAAG,IAAI,CAAC;QACnB,CAAC,CAAC;IACJ,CAAC,EAAE,CAAC,YAAY,EAAE,SAAS,EAAE,UAAU,EAAE,OAAO,EAAE,MAAM,EAAE,MAAM,CAAC,CAAC,CAAC;IAEnE,6EAA6E;IAC7E,+CAA+C;IAC/C,SAAS,CAAC,GAAG,EAAE;QACb,OAAO,CAAC,OAAO,GAAG,IAAI,CAAC;QACvB,MAAM,MAAM,GAAG,SAAS,CAAC,OAAO,CAAC;QACjC,MAAM,KAAK,GAAG,QAAQ,CAAC,OAAO,CAAC;QAC/B,IAAI,MAAM,KAAK,IAAI,IAAI,KAAK,KAAK,IAAI;YAAE,OAAO;QAC9C,KAAK,OAAO,CAAC,MAAM,EAAE,KAAK,EAAE,IAAI,CAAC,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC;IAC3E,CAAC,EAAE,CAAC,IAAI,CAAC,CAAC,CAAC;IAEX,SAAS,CAAC,GAAG,EAAE;QACb,KAAK,SAAS,CAAC,OAAO,EAAE,OAAO,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;IACvD,CAAC,EAAE,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC,CAAC;IAE1B,OAAO,CACL,eAAK,GAAG,EAAE,YAAY,EAAE,KAAK,EAAE,YAAY,aACxC,IAAI,IAAI,cAAK,KAAK,EAAE,UAAU,+BAAiB,EAChD,KAAC,qBAAqB,IACpB,IAAI,EAAE,IAAI,EACV,YAAY,EAAE,GAAG,EAAE;oBACjB,OAAO,CAAC,CAAC,IAAI,CAAC,CAAC;oBACf,SAAS,CAAC,OAAO,CAAC,YAAY,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC;gBAC1C,CAAC,EACD,WAAW,EAAE,GAAG,EAAE;oBAChB,KAAK,SAAS,CAAC,OAAO,EAAE,SAAS,EAAE,CAAC;gBACtC,CAAC,GACD,IACE,CACP,CAAC;AACJ,CAAC;AAED,4EAA4E;AAC5E,MAAM,kBAAkB,GAAG,EAAE,CAAC;AAE9B;;;;GAIG;AACH,MAAM,YAAY,GAAkB;IAClC,QAAQ,EAAE,UAAU;IACpB,KAAK,EAAE,MAAM;IACb,QAAQ,EAAE,iBAAiB;IAC3B,WAAW,EAAE,OAAO;IACpB,MAAM,EAAE,QAAQ;IAChB,SAAS,EAAE,GAAG;IACd,YAAY,EAAE,CAAC;IACf,QAAQ,EAAE,QAAQ;CACnB,CAAC;AAEF,MAAM,UAAU,GAAkB;IAChC,QAAQ,EAAE,UAAU;IACpB,GAAG,EAAE,CAAC;IACN,IAAI,EAAE,CAAC;IACP,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,SAAS;IAClB,YAAY,EAAE,CAAC;IACf,UAAU,EAAE,KAAK,CAAC,OAAO;IACzB,OAAO,EAAE,IAAI;IACb,KAAK,EAAE,KAAK,CAAC,SAAS;IACtB,QAAQ,EAAE,EAAE;CACb,CAAC"}
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@@ -0,0 +1,23 @@
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1
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/**
|
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2
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* The two controls an orbital canvas owns: the cartesian frame, and the way
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* back to the framing the orbital opened on — a change of orbital keeps
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* whatever angle and zoom the student is on.
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*/
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import type { ReactElement } from 'react';
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/** Props of {@link AtomicOrbitalControls}. */
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interface AtomicOrbitalControlsProps {
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/** Whether the frame is drawn. */
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axes: boolean;
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/** Called when the frame button is pressed. */
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onToggleAxes: () => void;
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/** Called when the reset button is pressed. */
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onResetView: () => void;
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}
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/**
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* The frame and reset buttons, in the canvas's top-right corner.
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* @param props - See {@link AtomicOrbitalControlsProps}.
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* @returns The two buttons.
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*/
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export declare function AtomicOrbitalControls(props: AtomicOrbitalControlsProps): ReactElement;
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export {};
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//# sourceMappingURL=AtomicOrbitalControls.d.ts.map
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1
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{"version":3,"file":"AtomicOrbitalControls.d.ts","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalControls.tsx"],"names":[],"mappings":"AAAA;;;;GAIG;AAGH,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAKzD,8CAA8C;AAC9C,UAAU,0BAA0B;IAClC,kCAAkC;IAClC,IAAI,EAAE,OAAO,CAAC;IACd,+CAA+C;IAC/C,YAAY,EAAE,MAAM,IAAI,CAAC;IACzB,+CAA+C;IAC/C,WAAW,EAAE,MAAM,IAAI,CAAC;CACzB;AAED;;;;GAIG;AACH,wBAAgB,qBAAqB,CACnC,KAAK,EAAE,0BAA0B,GAChC,YAAY,CA0Bd"}
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import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
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/**
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* The two controls an orbital canvas owns: the cartesian frame, and the way
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* back to the framing the orbital opened on — a change of orbital keeps
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* whatever angle and zoom the student is on.
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*/
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import { Button } from '@blueprintjs/core';
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import { HelpTooltip } from "../../help/ui/HelpTooltip.js";
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/**
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* The frame and reset buttons, in the canvas's top-right corner.
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* @param props - See {@link AtomicOrbitalControlsProps}.
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* @returns The two buttons.
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*/
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export function AtomicOrbitalControls(props) {
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const { axes, onToggleAxes, onResetView } = props;
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return (_jsxs("div", { style: CONTROLS_STYLE, children: [_jsx(HelpTooltip, { content: AXES_HELP, placement: "bottom", children: _jsx(Button, { variant: "minimal", size: "small", icon: "grid", active: axes, "aria-label": "Show the x, y, z axes", "aria-pressed": axes, onClick: onToggleAxes }) }), _jsx(HelpTooltip, { content: RESET_HELP, placement: "bottom", children: _jsx(Button, { variant: "minimal", size: "small", icon: "zoom-to-fit", "aria-label": "Reset the view", onClick: onResetView }) })] }));
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}
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/** What the frame button says it is for. */
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const AXES_HELP = {
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title: 'Cartesian axes',
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body: 'Draw x, y and z through the nucleus. The label names an orbital by where its lobes sit against them.',
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example: {
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code: '3d_yz',
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note: 'four lobes between the y and z axes, none on either.',
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},
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};
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/** What the reset button says it is for. */
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const RESET_HELP = {
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title: 'Reset the view',
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body: 'Back to the angle and zoom the orbital opened on. A change of orbital keeps whatever view you have turned it to.',
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};
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const CONTROLS_STYLE = {
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position: 'absolute',
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top: 4,
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right: 4,
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zIndex: 1,
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display: 'flex',
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gap: 2,
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};
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//# sourceMappingURL=AtomicOrbitalControls.js.map
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{"version":3,"file":"AtomicOrbitalControls.js","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalControls.tsx"],"names":[],"mappings":";AAAA;;;;GAIG;AAEH,OAAO,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAI3C,OAAO,EAAE,WAAW,EAAE,MAAM,8BAA+B,CAAC;AAY5D;;;;GAIG;AACH,MAAM,UAAU,qBAAqB,CACnC,KAAiC;IAEjC,MAAM,EAAE,IAAI,EAAE,YAAY,EAAE,WAAW,EAAE,GAAG,KAAK,CAAC;IAClD,OAAO,CACL,eAAK,KAAK,EAAE,cAAc,aACxB,KAAC,WAAW,IAAC,OAAO,EAAE,SAAS,EAAE,SAAS,EAAC,QAAQ,YACjD,KAAC,MAAM,IACL,OAAO,EAAC,SAAS,EACjB,IAAI,EAAC,OAAO,EACZ,IAAI,EAAC,MAAM,EACX,MAAM,EAAE,IAAI,gBACD,uBAAuB,kBACpB,IAAI,EAClB,OAAO,EAAE,YAAY,GACrB,GACU,EACd,KAAC,WAAW,IAAC,OAAO,EAAE,UAAU,EAAE,SAAS,EAAC,QAAQ,YAClD,KAAC,MAAM,IACL,OAAO,EAAC,SAAS,EACjB,IAAI,EAAC,OAAO,EACZ,IAAI,EAAC,aAAa,gBACP,gBAAgB,EAC3B,OAAO,EAAE,WAAW,GACpB,GACU,IACV,CACP,CAAC;AACJ,CAAC;AAED,4CAA4C;AAC5C,MAAM,SAAS,GAAgB;IAC7B,KAAK,EAAE,gBAAgB;IACvB,IAAI,EAAE,sGAAsG;IAC5G,OAAO,EAAE;QACP,IAAI,EAAE,OAAO;QACb,IAAI,EAAE,sDAAsD;KAC7D;CACF,CAAC;AAEF,4CAA4C;AAC5C,MAAM,UAAU,GAAgB;IAC9B,KAAK,EAAE,gBAAgB;IACvB,IAAI,EAAE,kHAAkH;CACzH,CAAC;AAEF,MAAM,cAAc,GAAkB;IACpC,QAAQ,EAAE,UAAU;IACpB,GAAG,EAAE,CAAC;IACN,KAAK,EAAE,CAAC;IACR,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,MAAM;IACf,GAAG,EAAE,CAAC;CACP,CAAC"}
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@@ -85,6 +85,12 @@ export interface AtomicOrbitalViewerProps {
|
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85
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* @default undefined
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*/
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renderUnsupported?: (capability: ViewerCapability) => ReactNode;
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/**
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* Class of the outermost element, so a site can size or place the viewer
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* from its stylesheet.
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* @default undefined
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*/
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className?: string;
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}
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/**
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* The 3D atomic orbital.
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"AtomicOrbitalViewer.d.ts","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalViewer.tsx"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;
|
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1
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+
{"version":3,"file":"AtomicOrbitalViewer.d.ts","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalViewer.tsx"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AAGH,OAAO,KAAK,EAAiB,YAAY,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAIpE,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC;AAC9D,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,oBAAoB,CAAC;AACvD,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AAIvD,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,iBAAiB,CAAC;AAQxD,4CAA4C;AAC5C,MAAM,WAAW,wBAAwB;IACvC,6CAA6C;IAC7C,YAAY,EAAE,MAAM,CAAC;IACrB,0EAA0E;IAC1E,SAAS,EAAE,MAAM,CAAC;IAClB;;;OAGG;IACH,OAAO,CAAC,EAAE,YAAY,CAAC;IACvB;;;;;;OAMG;IACH,UAAU,CAAC,EAAE,MAAM,GAAG,gBAAgB,CAAC;IACvC;;;;;OAKG;IACH,IAAI,CAAC,EAAE,OAAO,CAAC;IACf;;;;OAIG;IACH,YAAY,CAAC,EAAE,CAAC,IAAI,EAAE,OAAO,KAAK,IAAI,CAAC;IACvC;;;OAGG;IACH,QAAQ,CAAC,EAAE,OAAO,CAAC;IACnB;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;;OAIG;IACH,MAAM,CAAC,EAAE,aAAa,CAAC;IACvB;;;;OAIG;IACH,WAAW,CAAC,EAAE,CAAC,KAAK,EAAE,MAAM,EAAE,KAAK,IAAI,CAAC;IACxC;;;OAGG;IACH,QAAQ,CAAC,EAAE,SAAS,CAAC;IACrB;;;;;OAKG;IACH,iBAAiB,CAAC,EAAE,CAAC,UAAU,EAAE,gBAAgB,KAAK,SAAS,CAAC;IAChE;;;;OAIG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;CACpB;AAED;;;;GAIG;AACH,wBAAgB,mBAAmB,CACjC,KAAK,EAAE,wBAAwB,GAC9B,YAAY,CAkCd"}
|
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@@ -1,5 +1,23 @@
|
|
|
1
1
|
import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
|
|
2
|
+
/**
|
|
3
|
+
* One atomic orbital in three dimensions, and what to say when there cannot be
|
|
4
|
+
* one.
|
|
5
|
+
*
|
|
6
|
+
* Two precautions, both of which are the reason to use this component rather
|
|
7
|
+
* than the canvas directly: the WebGL probe runs *before* molstar is touched,
|
|
8
|
+
* because a locked-down school machine would otherwise get a blank rectangle
|
|
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+
* with no explanation, and the canvas sits behind `React.lazy`, so a page that
|
|
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|
+
* never reaches it never downloads molstar.
|
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11
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+
*
|
|
12
|
+
* ```tsx
|
|
13
|
+
* import { AtomicOrbitalViewer } from 'react-cheminfo/orbital';
|
|
14
|
+
*
|
|
15
|
+
* <AtomicOrbitalViewer atomicNumber={26} orbitalId="3dz2" />;
|
|
16
|
+
* ```
|
|
17
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+
*/
|
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18
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+
import { Callout } from '@blueprintjs/core';
|
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2
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|
import { Suspense, lazy, useState } from 'react';
|
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20
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+
import { TOKEN } from "../../tokens/core/familyTokens.js";
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3
21
|
import { probeViewerCapability } from "./capability.js";
|
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4
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|
const AtomicOrbitalCanvas = lazy(async () => {
|
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5
23
|
const module = await import("./AtomicOrbitalCanvas.js");
|
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@@ -11,15 +29,13 @@ const AtomicOrbitalCanvas = lazy(async () => {
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* @returns The viewer, or an explanation of why this machine cannot show one.
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export function AtomicOrbitalViewer(props) {
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const { fallback = 'Loading the 3D viewer…', renderUnsupported, ...canvas } = props;
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const { fallback = 'Loading the 3D viewer…', renderUnsupported, className, ...canvas } = props;
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return (_jsx("
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return (_jsx(Callout, { intent: "warning", compact: true, className: className, children: renderUnsupported?.(capability) ?? capability.message }));
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}
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return (_jsxs("div", { style: ROOT_STYLE, children: [_jsx(Suspense, { fallback: _jsx("div", { style: NOTE_STYLE, children: fallback }), children: _jsx(AtomicOrbitalCanvas, { ...canvas,
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setFailure(message);
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} }) }), failure !== null && (_jsxs("div", { style: FAILURE_STYLE, children: ["This orbital could not be drawn: ", failure] }))] }));
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return (_jsxs("div", { className: className, style: ROOT_STYLE, children: [_jsx(Suspense, { fallback: _jsx("div", { style: NOTE_STYLE, children: fallback }), children: _jsx(AtomicOrbitalCanvas, { ...canvas, onFailureChange: setFailure }) }), failure !== null && (_jsx(Callout, { intent: "danger", compact: true, title: "This orbital could not be drawn", children: failure }))] }));
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}
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background:
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color:
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background: TOKEN.surfaceSunken,
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color: TOKEN.textMuted,
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const FAILURE_STYLE = {
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padding: '6px 9px',
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borderRadius: 3,
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background: '#fdeaea',
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color: '#8c2b2b',
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};
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//# sourceMappingURL=AtomicOrbitalViewer.js.map
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{"version":3,"file":"AtomicOrbitalViewer.js","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalViewer.tsx"],"names":[],"mappings":";
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{"version":3,"file":"AtomicOrbitalViewer.js","sourceRoot":"","sources":["../../../src/orbital/ui/AtomicOrbitalViewer.tsx"],"names":[],"mappings":";AAAA;;;;;;;;;;;;;;;GAeG;AAEH,OAAO,EAAE,OAAO,EAAE,MAAM,mBAAmB,CAAC;AAE5C,OAAO,EAAE,QAAQ,EAAE,IAAI,EAAE,QAAQ,EAAE,MAAM,OAAO,CAAC;AAEjD,OAAO,EAAE,KAAK,EAAE,MAAM,mCAAmC,CAAC;AAQ1D,OAAO,EAAE,qBAAqB,EAAE,MAAM,iBAAiB,CAAC;AAExD,MAAM,mBAAmB,GAAG,IAAI,CAAC,KAAK,IAAI,EAAE;IAC1C,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,0BAA2B,CAAC,CAAC;IACzD,OAAO,EAAE,OAAO,EAAE,MAAM,CAAC,mBAAmB,EAAE,CAAC;AACjD,CAAC,CAAC,CAAC;AA4EH;;;;GAIG;AACH,MAAM,UAAU,mBAAmB,CACjC,KAA+B;IAE/B,MAAM,EACJ,QAAQ,GAAG,wBAAwB,EACnC,iBAAiB,EACjB,SAAS,EACT,GAAG,MAAM,EACV,GAAG,KAAK,CAAC;IACV,MAAM,CAAC,UAAU,CAAC,GAAG,QAAQ,CAAC,qBAAqB,CAAC,CAAC;IACrD,MAAM,CAAC,OAAO,EAAE,UAAU,CAAC,GAAG,QAAQ,CAAgB,IAAI,CAAC,CAAC;IAE5D,IAAI,CAAC,UAAU,CAAC,SAAS,EAAE,CAAC;QAC1B,OAAO,CACL,KAAC,OAAO,IAAC,MAAM,EAAC,SAAS,EAAC,OAAO,QAAC,SAAS,EAAE,SAAS,YACnD,iBAAiB,EAAE,CAAC,UAAU,CAAC,IAAI,UAAU,CAAC,OAAO,GAC9C,CACX,CAAC;IACJ,CAAC;IAED,OAAO,CACL,eAAK,SAAS,EAAE,SAAS,EAAE,KAAK,EAAE,UAAU,aAC1C,KAAC,QAAQ,IAAC,QAAQ,EAAE,cAAK,KAAK,EAAE,UAAU,YAAG,QAAQ,GAAO,YAC1D,KAAC,mBAAmB,OAAK,MAAM,EAAE,eAAe,EAAE,UAAU,GAAI,GACvD,EACV,OAAO,KAAK,IAAI,IAAI,CACnB,KAAC,OAAO,IACN,MAAM,EAAC,QAAQ,EACf,OAAO,QACP,KAAK,EAAC,iCAAiC,YAEtC,OAAO,GACA,CACX,IACG,CACP,CAAC;AACJ,CAAC;AAED,MAAM,UAAU,GAAkB;IAChC,OAAO,EAAE,MAAM;IACf,aAAa,EAAE,QAAQ;IACvB,GAAG,EAAE,CAAC;IACN,QAAQ,EAAE,CAAC;CACZ,CAAC;AAEF,MAAM,UAAU,GAAkB;IAChC,OAAO,EAAE,MAAM;IACf,UAAU,EAAE,QAAQ;IACpB,cAAc,EAAE,QAAQ;IACxB,SAAS,EAAE,GAAG;IACd,OAAO,EAAE,EAAE;IACX,YAAY,EAAE,CAAC;IACf,UAAU,EAAE,KAAK,CAAC,aAAa;IAC/B,KAAK,EAAE,KAAK,CAAC,SAAS;IACtB,QAAQ,EAAE,EAAE;IACZ,SAAS,EAAE,QAAQ;CACpB,CAAC"}
|
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@@ -0,0 +1,79 @@
|
|
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1
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/**
|
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2
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* The radial distribution of one orbital: how far from the nucleus its
|
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3
|
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* electron is, with every radial node ruled.
|
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*
|
|
5
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* What has to be legible is not the curve but its `n − ℓ − 1` zeros, so each
|
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6
|
+
* is marked with a rule that sits exactly on the crossing. With the amplitude
|
|
7
|
+
* overlaid the picture also says why they are nodes: `R` crosses zero and
|
|
8
|
+
* changes colour there, while `r²R²` only touches it.
|
|
9
|
+
*
|
|
10
|
+
* ```tsx
|
|
11
|
+
* import { RadialPlot } from 'react-cheminfo/orbital';
|
|
12
|
+
*
|
|
13
|
+
* <RadialPlot parameters={{ n: 3, l: 0, charge: 2.2 }} name="3s" showAmplitude />;
|
|
14
|
+
* ```
|
|
15
|
+
*/
|
|
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|
+
import type { ReactElement, ReactNode } from 'react';
|
|
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|
+
import type { HydrogenicParameters } from '../core/hydrogenic.ts';
|
|
18
|
+
import type { PhasePalette } from '../core/palette.ts';
|
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19
|
+
import type { RadialDistribution } from '../core/radialDistribution.ts';
|
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|
+
/** The unit distances are written in. */
|
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|
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export type RadialPlotUnit = 'pm' | 'angstrom';
|
|
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|
+
/** Props of {@link RadialPlot}. */
|
|
23
|
+
export interface RadialPlotProps {
|
|
24
|
+
/** Which orbital, and how strongly it is bound. */
|
|
25
|
+
parameters: HydrogenicParameters;
|
|
26
|
+
/**
|
|
27
|
+
* What the curve belongs to, e.g. `3d`, for the label a screen reader reads.
|
|
28
|
+
* @default undefined
|
|
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|
+
*/
|
|
30
|
+
name?: string;
|
|
31
|
+
/**
|
|
32
|
+
* Whether the amplitude `R` is overlaid, dashed and coloured by phase.
|
|
33
|
+
* @default false
|
|
34
|
+
*/
|
|
35
|
+
showAmplitude?: boolean;
|
|
36
|
+
/**
|
|
37
|
+
* The colours the two phases of the amplitude are drawn in.
|
|
38
|
+
* @default PHASE_PALETTES.textbook
|
|
39
|
+
*/
|
|
40
|
+
palette?: PhasePalette;
|
|
41
|
+
/**
|
|
42
|
+
* Whether the distance the electron is most likely at is ruled.
|
|
43
|
+
* @default true
|
|
44
|
+
*/
|
|
45
|
+
showPeak?: boolean;
|
|
46
|
+
/**
|
|
47
|
+
* The unit the distance axis is written in.
|
|
48
|
+
* @default 'pm'
|
|
49
|
+
*/
|
|
50
|
+
unit?: RadialPlotUnit;
|
|
51
|
+
/**
|
|
52
|
+
* Width of the plot, in pixels.
|
|
53
|
+
* @default the width of the element it is placed in
|
|
54
|
+
*/
|
|
55
|
+
width?: number;
|
|
56
|
+
/**
|
|
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|
+
* Height of the plot, in pixels.
|
|
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|
+
* @default 220
|
|
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+
*/
|
|
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|
+
height?: number;
|
|
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|
+
/**
|
|
62
|
+
* What is written under the plot, from the same samples the curve was drawn
|
|
63
|
+
* from — so a sentence quoting the peak quotes the plotted one.
|
|
64
|
+
* @default undefined
|
|
65
|
+
*/
|
|
66
|
+
renderCaption?: (distribution: RadialDistribution) => ReactNode;
|
|
67
|
+
/**
|
|
68
|
+
* Class of the outermost element.
|
|
69
|
+
* @default undefined
|
|
70
|
+
*/
|
|
71
|
+
className?: string;
|
|
72
|
+
}
|
|
73
|
+
/**
|
|
74
|
+
* The radial distribution plot.
|
|
75
|
+
* @param props - See {@link RadialPlotProps}.
|
|
76
|
+
* @returns A figure holding the plot and its optional caption.
|
|
77
|
+
*/
|
|
78
|
+
export declare function RadialPlot(props: RadialPlotProps): ReactElement;
|
|
79
|
+
//# sourceMappingURL=RadialPlot.d.ts.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"RadialPlot.d.ts","sourceRoot":"","sources":["../../../src/orbital/ui/RadialPlot.tsx"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;GAcG;AAEH,OAAO,KAAK,EAAiB,YAAY,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAMpE,OAAO,KAAK,EAAE,oBAAoB,EAAE,MAAM,uBAAuB,CAAC;AAClE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,oBAAoB,CAAC;AAEvD,OAAO,KAAK,EAAE,kBAAkB,EAAE,MAAM,+BAA+B,CAAC;AAKxE,yCAAyC;AACzC,MAAM,MAAM,cAAc,GAAG,IAAI,GAAG,UAAU,CAAC;AAE/C,mCAAmC;AACnC,MAAM,WAAW,eAAe;IAC9B,mDAAmD;IACnD,UAAU,EAAE,oBAAoB,CAAC;IACjC;;;OAGG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;IACd;;;OAGG;IACH,aAAa,CAAC,EAAE,OAAO,CAAC;IACxB;;;OAGG;IACH,OAAO,CAAC,EAAE,YAAY,CAAC;IACvB;;;OAGG;IACH,QAAQ,CAAC,EAAE,OAAO,CAAC;IACnB;;;OAGG;IACH,IAAI,CAAC,EAAE,cAAc,CAAC;IACtB;;;OAGG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;OAGG;IACH,MAAM,CAAC,EAAE,MAAM,CAAC;IAChB;;;;OAIG;IACH,aAAa,CAAC,EAAE,CAAC,YAAY,EAAE,kBAAkB,KAAK,SAAS,CAAC;IAChE;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;CACpB;AAED;;;;GAIG;AACH,wBAAgB,UAAU,CAAC,KAAK,EAAE,eAAe,GAAG,YAAY,CA8D/D"}
|
|
@@ -0,0 +1,59 @@
|
|
|
1
|
+
import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
|
|
2
|
+
import { useMemo, useRef } from 'react';
|
|
3
|
+
import { ChartFrame } from "../../chart/ui/ChartFrame.js";
|
|
4
|
+
import { useContainerSize } from "../../hooks/ui/useContainerSize.js";
|
|
5
|
+
import { TOKEN } from "../../tokens/core/familyTokens.js";
|
|
6
|
+
import { PHASE_PALETTES } from "../core/palette.js";
|
|
7
|
+
import { radialDistribution } from "../core/radialDistribution.js";
|
|
8
|
+
import { RadialPlotMarks } from "./RadialPlotMarks.js";
|
|
9
|
+
/**
|
|
10
|
+
* The radial distribution plot.
|
|
11
|
+
* @param props - See {@link RadialPlotProps}.
|
|
12
|
+
* @returns A figure holding the plot and its optional caption.
|
|
13
|
+
*/
|
|
14
|
+
export function RadialPlot(props) {
|
|
15
|
+
const { parameters, name, showAmplitude = false, palette = PHASE_PALETTES.textbook, showPeak = true, unit = 'pm', width, height = 220, renderCaption, className, } = props;
|
|
16
|
+
const { n, l, charge } = parameters;
|
|
17
|
+
const figureRef = useRef(null);
|
|
18
|
+
const measured = useContainerSize(figureRef);
|
|
19
|
+
const distribution = useMemo(() => radialDistribution({ n, l, charge }), [n, l, charge]);
|
|
20
|
+
const unitFactor = UNIT_FACTORS[unit];
|
|
21
|
+
const curves = showAmplitude ? 'r²R² and R' : 'r²R²';
|
|
22
|
+
return (_jsxs("figure", { ref: figureRef, className: className, style: FIGURE_STYLE, children: [_jsx(ChartFrame, { width: width ?? measured.width, height: height, x: {
|
|
23
|
+
domain: [0, distribution.limit * unitFactor],
|
|
24
|
+
label: `Distance from the nucleus (${UNIT_LABELS[unit]})`,
|
|
25
|
+
showGrid: false,
|
|
26
|
+
}, y: {
|
|
27
|
+
domain: showAmplitude ? [-1, 1] : [0, 1],
|
|
28
|
+
label: `${curves} (relative)`,
|
|
29
|
+
showGrid: false,
|
|
30
|
+
showTicks: false,
|
|
31
|
+
nice: false,
|
|
32
|
+
}, label: accessibleLabel(name, distribution.nodeRadii.length), testId: "radial-plot", children: (frame) => (_jsx(RadialPlotMarks, { frame: frame, distribution: distribution, unitFactor: unitFactor, showAmplitude: showAmplitude, showPeak: showPeak, palette: palette })) }), renderCaption === undefined ? null : (_jsx("figcaption", { style: CAPTION_STYLE, children: renderCaption(distribution) }))] }));
|
|
33
|
+
}
|
|
34
|
+
function accessibleLabel(name, nodes) {
|
|
35
|
+
const subject = name === undefined ? 'an orbital' : `the ${name} orbital`;
|
|
36
|
+
const count = `${nodes} radial node${nodes === 1 ? '' : 's'}`;
|
|
37
|
+
return `Radial distribution of ${subject}, ${count}`;
|
|
38
|
+
}
|
|
39
|
+
const UNIT_FACTORS = {
|
|
40
|
+
pm: 100,
|
|
41
|
+
angstrom: 1,
|
|
42
|
+
};
|
|
43
|
+
const UNIT_LABELS = {
|
|
44
|
+
pm: 'pm',
|
|
45
|
+
angstrom: 'Å',
|
|
46
|
+
};
|
|
47
|
+
const FIGURE_STYLE = {
|
|
48
|
+
display: 'flex',
|
|
49
|
+
flexDirection: 'column',
|
|
50
|
+
gap: 4,
|
|
51
|
+
margin: 0,
|
|
52
|
+
minWidth: 0,
|
|
53
|
+
};
|
|
54
|
+
const CAPTION_STYLE = {
|
|
55
|
+
color: TOKEN.textMuted,
|
|
56
|
+
fontSize: 12,
|
|
57
|
+
lineHeight: 1.4,
|
|
58
|
+
};
|
|
59
|
+
//# sourceMappingURL=RadialPlot.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"RadialPlot.js","sourceRoot":"","sources":["../../../src/orbital/ui/RadialPlot.tsx"],"names":[],"mappings":";AAiBA,OAAO,EAAE,OAAO,EAAE,MAAM,EAAE,MAAM,OAAO,CAAC;AAExC,OAAO,EAAE,UAAU,EAAE,MAAM,8BAA+B,CAAC;AAC3D,OAAO,EAAE,gBAAgB,EAAE,MAAM,oCAAoC,CAAC;AACtE,OAAO,EAAE,KAAK,EAAE,MAAM,mCAAmC,CAAC;AAG1D,OAAO,EAAE,cAAc,EAAE,MAAM,oBAAoB,CAAC;AAEpD,OAAO,EAAE,kBAAkB,EAAE,MAAM,+BAA+B,CAAC;AAEnE,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAuB,CAAC;AAyDxD;;;;GAIG;AACH,MAAM,UAAU,UAAU,CAAC,KAAsB;IAC/C,MAAM,EACJ,UAAU,EACV,IAAI,EACJ,aAAa,GAAG,KAAK,EACrB,OAAO,GAAG,cAAc,CAAC,QAAQ,EACjC,QAAQ,GAAG,IAAI,EACf,IAAI,GAAG,IAAI,EACX,KAAK,EACL,MAAM,GAAG,GAAG,EACZ,aAAa,EACb,SAAS,GACV,GAAG,KAAK,CAAC;IACV,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,MAAM,EAAE,GAAG,UAAU,CAAC;IAEpC,MAAM,SAAS,GAAG,MAAM,CAAc,IAAI,CAAC,CAAC;IAC5C,MAAM,QAAQ,GAAG,gBAAgB,CAAC,SAAS,CAAC,CAAC;IAC7C,MAAM,YAAY,GAAG,OAAO,CAC1B,GAAG,EAAE,CAAC,kBAAkB,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,MAAM,EAAE,CAAC,EAC1C,CAAC,CAAC,EAAE,CAAC,EAAE,MAAM,CAAC,CACf,CAAC;IACF,MAAM,UAAU,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC;IACtC,MAAM,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC,YAAY,CAAC,CAAC,CAAC,MAAM,CAAC;IAErD,OAAO,CACL,kBAAQ,GAAG,EAAE,SAAS,EAAE,SAAS,EAAE,SAAS,EAAE,KAAK,EAAE,YAAY,aAC/D,KAAC,UAAU,IACT,KAAK,EAAE,KAAK,IAAI,QAAQ,CAAC,KAAK,EAC9B,MAAM,EAAE,MAAM,EACd,CAAC,EAAE;oBACD,MAAM,EAAE,CAAC,CAAC,EAAE,YAAY,CAAC,KAAK,GAAG,UAAU,CAAC;oBAC5C,KAAK,EAAE,8BAA8B,WAAW,CAAC,IAAI,CAAC,GAAG;oBACzD,QAAQ,EAAE,KAAK;iBAChB,EACD,CAAC,EAAE;oBACD,MAAM,EAAE,aAAa,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC;oBACxC,KAAK,EAAE,GAAG,MAAM,aAAa;oBAC7B,QAAQ,EAAE,KAAK;oBACf,SAAS,EAAE,KAAK;oBAChB,IAAI,EAAE,KAAK;iBACZ,EACD,KAAK,EAAE,eAAe,CAAC,IAAI,EAAE,YAAY,CAAC,SAAS,CAAC,MAAM,CAAC,EAC3D,MAAM,EAAC,aAAa,YAEnB,CAAC,KAAK,EAAE,EAAE,CAAC,CACV,KAAC,eAAe,IACd,KAAK,EAAE,KAAK,EACZ,YAAY,EAAE,YAAY,EAC1B,UAAU,EAAE,UAAU,EACtB,aAAa,EAAE,aAAa,EAC5B,QAAQ,EAAE,QAAQ,EAClB,OAAO,EAAE,OAAO,GAChB,CACH,GACU,EACZ,aAAa,KAAK,SAAS,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CACpC,qBAAY,KAAK,EAAE,aAAa,YAC7B,aAAa,CAAC,YAAY,CAAC,GACjB,CACd,IACM,CACV,CAAC;AACJ,CAAC;AAED,SAAS,eAAe,CAAC,IAAwB,EAAE,KAAa;IAC9D,MAAM,OAAO,GAAG,IAAI,KAAK,SAAS,CAAC,CAAC,CAAC,YAAY,CAAC,CAAC,CAAC,OAAO,IAAI,UAAU,CAAC;IAC1E,MAAM,KAAK,GAAG,GAAG,KAAK,eAAe,KAAK,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC;IAC9D,OAAO,0BAA0B,OAAO,KAAK,KAAK,EAAE,CAAC;AACvD,CAAC;AAED,MAAM,YAAY,GAAmC;IACnD,EAAE,EAAE,GAAG;IACP,QAAQ,EAAE,CAAC;CACZ,CAAC;AAEF,MAAM,WAAW,GAAmC;IAClD,EAAE,EAAE,IAAI;IACR,QAAQ,EAAE,GAAG;CACd,CAAC;AAEF,MAAM,YAAY,GAAkB;IAClC,OAAO,EAAE,MAAM;IACf,aAAa,EAAE,QAAQ;IACvB,GAAG,EAAE,CAAC;IACN,MAAM,EAAE,CAAC;IACT,QAAQ,EAAE,CAAC;CACZ,CAAC;AAEF,MAAM,aAAa,GAAkB;IACnC,KAAK,EAAE,KAAK,CAAC,SAAS;IACtB,QAAQ,EAAE,EAAE;IACZ,UAAU,EAAE,GAAG;CAChB,CAAC"}
|
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@@ -0,0 +1,31 @@
|
|
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1
|
+
/**
|
|
2
|
+
* What a radial plot draws inside its frame: the distribution, the amplitude
|
|
3
|
+
* when it is asked for, a rule on every node and one on the peak.
|
|
4
|
+
*/
|
|
5
|
+
import type { ReactElement } from 'react';
|
|
6
|
+
import type { ChartFrameRender } from '../../chart/ui/ChartFrame.tsx';
|
|
7
|
+
import type { PhasePalette } from '../core/palette.ts';
|
|
8
|
+
import type { RadialDistribution } from '../core/radialDistribution.ts';
|
|
9
|
+
/** Props of {@link RadialPlotMarks}. */
|
|
10
|
+
interface RadialPlotMarksProps {
|
|
11
|
+
/** The frame the marks are drawn in. */
|
|
12
|
+
frame: ChartFrameRender;
|
|
13
|
+
/** The sampled orbital. */
|
|
14
|
+
distribution: RadialDistribution;
|
|
15
|
+
/** Displayed units per ångström. */
|
|
16
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+
unitFactor: number;
|
|
17
|
+
/** Whether `R` is overlaid, coloured by phase. */
|
|
18
|
+
showAmplitude: boolean;
|
|
19
|
+
/** Whether the most probable distance is ruled. */
|
|
20
|
+
showPeak: boolean;
|
|
21
|
+
/** The colours of the two phases. */
|
|
22
|
+
palette: PhasePalette;
|
|
23
|
+
}
|
|
24
|
+
/**
|
|
25
|
+
* The marks of a radial plot.
|
|
26
|
+
* @param props - See {@link RadialPlotMarksProps}.
|
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27
|
+
* @returns An SVG group.
|
|
28
|
+
*/
|
|
29
|
+
export declare function RadialPlotMarks(props: RadialPlotMarksProps): ReactElement;
|
|
30
|
+
export {};
|
|
31
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+
//# sourceMappingURL=RadialPlotMarks.d.ts.map
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@@ -0,0 +1 @@
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1
|
+
{"version":3,"file":"RadialPlotMarks.d.ts","sourceRoot":"","sources":["../../../src/orbital/ui/RadialPlotMarks.tsx"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,OAAO,CAAC;AAE1C,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAEtE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,oBAAoB,CAAC;AACvD,OAAO,KAAK,EAAE,kBAAkB,EAAE,MAAM,+BAA+B,CAAC;AAIxE,wCAAwC;AACxC,UAAU,oBAAoB;IAC5B,wCAAwC;IACxC,KAAK,EAAE,gBAAgB,CAAC;IACxB,2BAA2B;IAC3B,YAAY,EAAE,kBAAkB,CAAC;IACjC,oCAAoC;IACpC,UAAU,EAAE,MAAM,CAAC;IACnB,kDAAkD;IAClD,aAAa,EAAE,OAAO,CAAC;IACvB,mDAAmD;IACnD,QAAQ,EAAE,OAAO,CAAC;IAClB,qCAAqC;IACrC,OAAO,EAAE,YAAY,CAAC;CACvB;AAED;;;;GAIG;AACH,wBAAgB,eAAe,CAAC,KAAK,EAAE,oBAAoB,GAAG,YAAY,CAqDzE"}
|
|
@@ -0,0 +1,22 @@
|
|
|
1
|
+
import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
|
|
2
|
+
import { TOKEN } from "../../tokens/core/familyTokens.js";
|
|
3
|
+
import { radialPlotGeometry } from "./radialPlotGeometry.js";
|
|
4
|
+
/**
|
|
5
|
+
* The marks of a radial plot.
|
|
6
|
+
* @param props - See {@link RadialPlotMarksProps}.
|
|
7
|
+
* @returns An SVG group.
|
|
8
|
+
*/
|
|
9
|
+
export function RadialPlotMarks(props) {
|
|
10
|
+
const { frame, distribution, unitFactor, showAmplitude, showPeak, palette } = props;
|
|
11
|
+
const geometry = radialPlotGeometry(distribution, frame.x, frame.y, unitFactor, showAmplitude);
|
|
12
|
+
return (_jsxs("g", { children: [_jsx("path", { d: geometry.densityArea, fill: INK, fillOpacity: 0.1 }), _jsx("path", { d: geometry.densityLine, fill: "none", stroke: INK, strokeWidth: 1.6, "data-mark": "density" }), geometry.amplitudeRuns.map((run) => (_jsx("path", { d: run.path, fill: "none", stroke: run.positive ? palette.positive : palette.negative, strokeWidth: 1.6, strokeDasharray: "5 3", "data-mark": run.positive ? 'amplitude-positive' : 'amplitude-negative' }, run.path))), distribution.nodeRadii.map((radius) => (_jsx(VerticalRule, { frame: frame, value: radius * unitFactor, label: "node", color: INK, dashed: true }, radius))), showPeak ? (_jsx(VerticalRule, { frame: frame, value: distribution.peakDistance * unitFactor, label: "peak", color: FAINT_INK, dashed: false })) : null] }));
|
|
13
|
+
}
|
|
14
|
+
function VerticalRule(props) {
|
|
15
|
+
const { frame, value, label, color, dashed } = props;
|
|
16
|
+
const x = frame.x.offset + value * frame.x.factor;
|
|
17
|
+
return (_jsxs("g", { "data-mark": label, children: [_jsx("line", { x1: x, x2: x, y1: frame.plot.top + 12, y2: frame.plot.bottom, stroke: color, strokeWidth: 1, strokeDasharray: dashed ? '3 3' : undefined, opacity: 0.6 }), _jsx("text", { x: x, y: frame.plot.top + 9, textAnchor: "middle", fontSize: 10, fill: MUTED_INK, children: label })] }));
|
|
18
|
+
}
|
|
19
|
+
const INK = TOKEN.text;
|
|
20
|
+
const MUTED_INK = TOKEN.textMuted;
|
|
21
|
+
const FAINT_INK = TOKEN.textFaint;
|
|
22
|
+
//# sourceMappingURL=RadialPlotMarks.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"RadialPlotMarks.js","sourceRoot":"","sources":["../../../src/orbital/ui/RadialPlotMarks.tsx"],"names":[],"mappings":";AAQA,OAAO,EAAE,KAAK,EAAE,MAAM,mCAAmC,CAAC;AAI1D,OAAO,EAAE,kBAAkB,EAAE,MAAM,yBAAyB,CAAC;AAkB7D;;;;GAIG;AACH,MAAM,UAAU,eAAe,CAAC,KAA2B;IACzD,MAAM,EAAE,KAAK,EAAE,YAAY,EAAE,UAAU,EAAE,aAAa,EAAE,QAAQ,EAAE,OAAO,EAAE,GACzE,KAAK,CAAC;IACR,MAAM,QAAQ,GAAG,kBAAkB,CACjC,YAAY,EACZ,KAAK,CAAC,CAAC,EACP,KAAK,CAAC,CAAC,EACP,UAAU,EACV,aAAa,CACd,CAAC;IAEF,OAAO,CACL,wBACE,eAAM,CAAC,EAAE,QAAQ,CAAC,WAAW,EAAE,IAAI,EAAE,GAAG,EAAE,WAAW,EAAE,GAAG,GAAI,EAC9D,eACE,CAAC,EAAE,QAAQ,CAAC,WAAW,EACvB,IAAI,EAAC,MAAM,EACX,MAAM,EAAE,GAAG,EACX,WAAW,EAAE,GAAG,eACN,SAAS,GACnB,EACD,QAAQ,CAAC,aAAa,CAAC,GAAG,CAAC,CAAC,GAAG,EAAE,EAAE,CAAC,CACnC,eAEE,CAAC,EAAE,GAAG,CAAC,IAAI,EACX,IAAI,EAAC,MAAM,EACX,MAAM,EAAE,GAAG,CAAC,QAAQ,CAAC,CAAC,CAAC,OAAO,CAAC,QAAQ,CAAC,CAAC,CAAC,OAAO,CAAC,QAAQ,EAC1D,WAAW,EAAE,GAAG,EAChB,eAAe,EAAC,KAAK,eACV,GAAG,CAAC,QAAQ,CAAC,CAAC,CAAC,oBAAoB,CAAC,CAAC,CAAC,oBAAoB,IANhE,GAAG,CAAC,IAAI,CAOb,CACH,CAAC,EACD,YAAY,CAAC,SAAS,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CACtC,KAAC,YAAY,IAEX,KAAK,EAAE,KAAK,EACZ,KAAK,EAAE,MAAM,GAAG,UAAU,EAC1B,KAAK,EAAC,MAAM,EACZ,KAAK,EAAE,GAAG,EACV,MAAM,UALD,MAAM,CAMX,CACH,CAAC,EACD,QAAQ,CAAC,CAAC,CAAC,CACV,KAAC,YAAY,IACX,KAAK,EAAE,KAAK,EACZ,KAAK,EAAE,YAAY,CAAC,YAAY,GAAG,UAAU,EAC7C,KAAK,EAAC,MAAM,EACZ,KAAK,EAAE,SAAS,EAChB,MAAM,EAAE,KAAK,GACb,CACH,CAAC,CAAC,CAAC,IAAI,IACN,CACL,CAAC;AACJ,CAAC;AAUD,SAAS,YAAY,CAAC,KAAwB;IAC5C,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,MAAM,EAAE,GAAG,KAAK,CAAC;IACrD,MAAM,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,MAAM,GAAG,KAAK,GAAG,KAAK,CAAC,CAAC,CAAC,MAAM,CAAC;IAClD,OAAO,CACL,0BAAc,KAAK,aACjB,eACE,EAAE,EAAE,CAAC,EACL,EAAE,EAAE,CAAC,EACL,EAAE,EAAE,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,EACvB,EAAE,EAAE,KAAK,CAAC,IAAI,CAAC,MAAM,EACrB,MAAM,EAAE,KAAK,EACb,WAAW,EAAE,CAAC,EACd,eAAe,EAAE,MAAM,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,SAAS,EAC3C,OAAO,EAAE,GAAG,GACZ,EACF,eACE,CAAC,EAAE,CAAC,EACJ,CAAC,EAAE,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,CAAC,EACrB,UAAU,EAAC,QAAQ,EACnB,QAAQ,EAAE,EAAE,EACZ,IAAI,EAAE,SAAS,YAEd,KAAK,GACD,IACL,CACL,CAAC;AACJ,CAAC;AAED,MAAM,GAAG,GAAG,KAAK,CAAC,IAAI,CAAC;AACvB,MAAM,SAAS,GAAG,KAAK,CAAC,SAAS,CAAC;AAClC,MAAM,SAAS,GAAG,KAAK,CAAC,SAAS,CAAC"}
|
|
@@ -13,12 +13,6 @@ export declare const DEFAULT_CAMERA_DURATION = 250;
|
|
|
13
13
|
* an orbital fast enough that the phases blur into each other.
|
|
14
14
|
*/
|
|
15
15
|
export declare const DEFAULT_SPIN_SPEED = 0.3;
|
|
16
|
-
/**
|
|
17
|
-
* Frame everything currently in the scene.
|
|
18
|
-
* @param plugin - The molstar context.
|
|
19
|
-
* @param durationMs - Transition length. Pass 0 for an instant jump.
|
|
20
|
-
*/
|
|
21
|
-
export declare function resetCamera(plugin: PluginContext, durationMs?: number): void;
|
|
22
16
|
/**
|
|
23
17
|
* Frame the scene from an oblique angle, for a lone atom rather than a molecule.
|
|
24
18
|
*
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"camera.d.ts","sourceRoot":"","sources":["../../../src/orbital/ui/camera.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAGH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAEvE,8EAA8E;AAC9E,eAAO,MAAM,uBAAuB,MAAM,CAAC;AAE3C;;;;;GAKG;AACH,eAAO,MAAM,kBAAkB,MAAM,CAAC;
|
|
1
|
+
{"version":3,"file":"camera.d.ts","sourceRoot":"","sources":["../../../src/orbital/ui/camera.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAGH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAEvE,8EAA8E;AAC9E,eAAO,MAAM,uBAAuB,MAAM,CAAC;AAE3C;;;;;GAKG;AACH,eAAO,MAAM,kBAAkB,MAAM,CAAC;AAiDtC;;;;;;;;;;;;GAYG;AACH,wBAAgB,YAAY,CAC1B,MAAM,EAAE,aAAa,EACrB,aAAa,CAAC,EAAE,MAAM,EACtB,UAAU,SAA0B,GACnC,IAAI,CA6BN;AAED;;;;;;;;;;;;;GAaG;AACH,wBAAgB,YAAY,CAC1B,MAAM,EAAE,aAAa,EACrB,cAAc,EAAE,MAAM,EACtB,aAAa,EAAE,MAAM,EACrB,UAAU,SAA0B,GACnC,IAAI,CA0BN;AAmCD;;;;;GAKG;AACH,wBAAgB,OAAO,CACrB,MAAM,EAAE,aAAa,EACrB,QAAQ,EAAE,OAAO,EACjB,KAAK,SAAqB,GACzB,IAAI,CAQN"}
|
package/lib/orbital/ui/camera.js
CHANGED
|
@@ -27,7 +27,7 @@ const FRAMING_MARGIN = 0.08;
|
|
|
27
27
|
* @param plugin - The molstar context.
|
|
28
28
|
* @param durationMs - Transition length. Pass 0 for an instant jump.
|
|
29
29
|
*/
|
|
30
|
-
|
|
30
|
+
function resetCamera(plugin, durationMs = DEFAULT_CAMERA_DURATION) {
|
|
31
31
|
const scene = plugin.canvas3d?.boundingSphereVisible;
|
|
32
32
|
if (scene === undefined || scene.radius <= 0) {
|
|
33
33
|
plugin.managers.camera.reset(undefined, durationMs);
|