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.
Files changed (2264) hide show
  1. package/README.md +25 -22
  2. package/bin/check-deploy.mjs +132 -0
  3. package/bin/check-tokens.mjs +16 -29
  4. package/bin/cli.mjs +43 -0
  5. package/lib/about/core/about.d.ts +27 -0
  6. package/lib/about/core/about.d.ts.map +1 -1
  7. package/lib/about/core/about.js +3 -0
  8. package/lib/about/core/about.js.map +1 -1
  9. package/lib/about/core/index.d.ts +3 -1
  10. package/lib/about/core/index.d.ts.map +1 -1
  11. package/lib/about/core/index.js +1 -0
  12. package/lib/about/core/index.js.map +1 -1
  13. package/lib/about/core/providers.d.ts +31 -0
  14. package/lib/about/core/providers.d.ts.map +1 -0
  15. package/lib/about/core/providers.js +28 -0
  16. package/lib/about/core/providers.js.map +1 -0
  17. package/lib/about/ui/AboutCitations.d.ts +4 -2
  18. package/lib/about/ui/AboutCitations.d.ts.map +1 -1
  19. package/lib/about/ui/AboutCitations.js +6 -20
  20. package/lib/about/ui/AboutCitations.js.map +1 -1
  21. package/lib/about/ui/AboutPage.d.ts +11 -3
  22. package/lib/about/ui/AboutPage.d.ts.map +1 -1
  23. package/lib/about/ui/AboutPage.js +15 -5
  24. package/lib/about/ui/AboutPage.js.map +1 -1
  25. package/lib/about/ui/AboutProvidedBy.d.ts +18 -0
  26. package/lib/about/ui/AboutProvidedBy.d.ts.map +1 -0
  27. package/lib/about/ui/AboutProvidedBy.js +81 -0
  28. package/lib/about/ui/AboutProvidedBy.js.map +1 -0
  29. package/lib/about/ui/index.d.ts +2 -0
  30. package/lib/about/ui/index.d.ts.map +1 -1
  31. package/lib/about/ui/index.js +1 -0
  32. package/lib/about/ui/index.js.map +1 -1
  33. package/lib/capsule/ui/CapsuleFilter.d.ts +48 -8
  34. package/lib/capsule/ui/CapsuleFilter.d.ts.map +1 -1
  35. package/lib/capsule/ui/CapsuleFilter.js +43 -12
  36. package/lib/capsule/ui/CapsuleFilter.js.map +1 -1
  37. package/lib/capsule/ui/index.d.ts +1 -1
  38. package/lib/capsule/ui/index.d.ts.map +1 -1
  39. package/lib/capsule/ui/index.js.map +1 -1
  40. package/lib/chart/core/chartAxisPair.d.ts +33 -0
  41. package/lib/chart/core/chartAxisPair.d.ts.map +1 -0
  42. package/lib/chart/core/chartAxisPair.js +35 -0
  43. package/lib/chart/core/chartAxisPair.js.map +1 -0
  44. package/lib/chart/core/chartAxisScale.d.ts.map +1 -1
  45. package/lib/chart/core/chartAxisScale.js +4 -9
  46. package/lib/chart/core/chartAxisScale.js.map +1 -1
  47. package/lib/chart/core/chartBins.d.ts.map +1 -1
  48. package/lib/chart/core/chartBins.js +2 -9
  49. package/lib/chart/core/chartBins.js.map +1 -1
  50. package/lib/chart/core/chartGroups.d.ts +16 -0
  51. package/lib/chart/core/chartGroups.d.ts.map +1 -0
  52. package/lib/chart/core/chartGroups.js +22 -0
  53. package/lib/chart/core/chartGroups.js.map +1 -0
  54. package/lib/chart/core/chartLabels.d.ts.map +1 -1
  55. package/lib/chart/core/chartLabels.js +3 -8
  56. package/lib/chart/core/chartLabels.js.map +1 -1
  57. package/lib/chart/core/chartPalette.d.ts +2 -2
  58. package/lib/chart/core/chartPalette.d.ts.map +1 -1
  59. package/lib/chart/core/chartPalette.js +4 -4
  60. package/lib/chart/core/chartPalette.js.map +1 -1
  61. package/lib/chart/core/chartScale.d.ts +12 -0
  62. package/lib/chart/core/chartScale.d.ts.map +1 -1
  63. package/lib/chart/core/chartScale.js +15 -0
  64. package/lib/chart/core/chartScale.js.map +1 -1
  65. package/lib/chart/core/matrix.d.ts +9 -0
  66. package/lib/chart/core/matrix.d.ts.map +1 -1
  67. package/lib/chart/core/matrix.js +23 -0
  68. package/lib/chart/core/matrix.js.map +1 -1
  69. package/lib/chart/ui/ChartAxis.js +3 -3
  70. package/lib/chart/ui/ChartAxis.js.map +1 -1
  71. package/lib/chart/ui/ChartFrame.d.ts +12 -0
  72. package/lib/chart/ui/ChartFrame.d.ts.map +1 -1
  73. package/lib/chart/ui/ChartFrame.js +9 -26
  74. package/lib/chart/ui/ChartFrame.js.map +1 -1
  75. package/lib/chart/ui/ChartSeriesMarks.d.ts.map +1 -1
  76. package/lib/chart/ui/ChartSeriesMarks.js +6 -6
  77. package/lib/chart/ui/ChartSeriesMarks.js.map +1 -1
  78. package/lib/chart/ui/ChartTrackingLayer.d.ts.map +1 -1
  79. package/lib/chart/ui/ChartTrackingLayer.js +2 -2
  80. package/lib/chart/ui/ChartTrackingLayer.js.map +1 -1
  81. package/lib/chart/ui/TrackedLineChart.d.ts +6 -1
  82. package/lib/chart/ui/TrackedLineChart.d.ts.map +1 -1
  83. package/lib/chart/ui/TrackedLineChart.js +2 -2
  84. package/lib/chart/ui/TrackedLineChart.js.map +1 -1
  85. package/lib/chart/ui/TrackedStickChart.d.ts +5 -1
  86. package/lib/chart/ui/TrackedStickChart.d.ts.map +1 -1
  87. package/lib/chart/ui/TrackedStickChart.js +2 -2
  88. package/lib/chart/ui/TrackedStickChart.js.map +1 -1
  89. package/lib/chart/ui/chartFrameGeometry.d.ts +19 -0
  90. package/lib/chart/ui/chartFrameGeometry.d.ts.map +1 -0
  91. package/lib/chart/ui/chartFrameGeometry.js +41 -0
  92. package/lib/chart/ui/chartFrameGeometry.js.map +1 -0
  93. package/lib/chart/ui/index.d.ts +3 -1
  94. package/lib/chart/ui/index.d.ts.map +1 -1
  95. package/lib/chart/ui/index.js +1 -0
  96. package/lib/chart/ui/index.js.map +1 -1
  97. package/lib/chart/ui/stickChartModel.d.ts +3 -12
  98. package/lib/chart/ui/stickChartModel.d.ts.map +1 -1
  99. package/lib/chart/ui/stickChartModel.js +19 -21
  100. package/lib/chart/ui/stickChartModel.js.map +1 -1
  101. package/lib/chart/ui/useWheelZoom.d.ts +2 -1
  102. package/lib/chart/ui/useWheelZoom.d.ts.map +1 -1
  103. package/lib/chart/ui/useWheelZoom.js +26 -45
  104. package/lib/chart/ui/useWheelZoom.js.map +1 -1
  105. package/lib/chart/ui/wheelDwell.d.ts +77 -0
  106. package/lib/chart/ui/wheelDwell.d.ts.map +1 -0
  107. package/lib/chart/ui/wheelDwell.js +85 -0
  108. package/lib/chart/ui/wheelDwell.js.map +1 -0
  109. package/lib/chrome/ui/NavLink.d.ts.map +1 -1
  110. package/lib/chrome/ui/NavLink.js +8 -4
  111. package/lib/chrome/ui/NavLink.js.map +1 -1
  112. package/lib/chrome/ui/NavMenuButton.d.ts +6 -0
  113. package/lib/chrome/ui/NavMenuButton.d.ts.map +1 -1
  114. package/lib/chrome/ui/NavMenuButton.js +10 -3
  115. package/lib/chrome/ui/NavMenuButton.js.map +1 -1
  116. package/lib/chrome/ui/SiteFooter.d.ts +8 -0
  117. package/lib/chrome/ui/SiteFooter.d.ts.map +1 -1
  118. package/lib/chrome/ui/SiteFooter.js +7 -2
  119. package/lib/chrome/ui/SiteFooter.js.map +1 -1
  120. package/lib/chrome/ui/SiteHeader.d.ts +21 -0
  121. package/lib/chrome/ui/SiteHeader.d.ts.map +1 -1
  122. package/lib/chrome/ui/SiteHeader.js +13 -3
  123. package/lib/chrome/ui/SiteHeader.js.map +1 -1
  124. package/lib/chrome/ui/navItem.d.ts +17 -3
  125. package/lib/chrome/ui/navItem.d.ts.map +1 -1
  126. package/lib/chrome/ui/navItem.js.map +1 -1
  127. package/lib/citation/core/index.d.ts +1 -0
  128. package/lib/citation/core/index.d.ts.map +1 -1
  129. package/lib/citation/core/index.js +1 -0
  130. package/lib/citation/core/index.js.map +1 -1
  131. package/lib/citation/core/openchemlibPaper.d.ts +10 -0
  132. package/lib/citation/core/openchemlibPaper.d.ts.map +1 -0
  133. package/lib/citation/core/openchemlibPaper.js +29 -0
  134. package/lib/citation/core/openchemlibPaper.js.map +1 -0
  135. package/lib/citation/core/platformPaper.d.ts +2 -2
  136. package/lib/citation/core/platformPaper.js +2 -2
  137. package/lib/clipboard/core/clipboardItem.d.ts +13 -0
  138. package/lib/clipboard/core/clipboardItem.d.ts.map +1 -0
  139. package/lib/clipboard/core/clipboardItem.js +26 -0
  140. package/lib/clipboard/core/clipboardItem.js.map +1 -0
  141. package/lib/clipboard/core/index.d.ts +3 -0
  142. package/lib/clipboard/core/index.d.ts.map +1 -1
  143. package/lib/clipboard/core/index.js +1 -0
  144. package/lib/clipboard/core/index.js.map +1 -1
  145. package/lib/clipboard/core/writeBlobToClipboard.d.ts +23 -0
  146. package/lib/clipboard/core/writeBlobToClipboard.d.ts.map +1 -0
  147. package/lib/clipboard/core/writeBlobToClipboard.js +29 -0
  148. package/lib/clipboard/core/writeBlobToClipboard.js.map +1 -0
  149. package/lib/clipboard/core/writeToClipboard.d.ts +22 -7
  150. package/lib/clipboard/core/writeToClipboard.d.ts.map +1 -1
  151. package/lib/clipboard/core/writeToClipboard.js +20 -7
  152. package/lib/clipboard/core/writeToClipboard.js.map +1 -1
  153. package/lib/clipboard/ui/CodeBlock.d.ts +1 -0
  154. package/lib/clipboard/ui/CodeBlock.d.ts.map +1 -1
  155. package/lib/clipboard/ui/CodeBlock.js +5 -11
  156. package/lib/clipboard/ui/CodeBlock.js.map +1 -1
  157. package/lib/clipboard/ui/CopyButton.d.ts +8 -1
  158. package/lib/clipboard/ui/CopyButton.d.ts.map +1 -1
  159. package/lib/clipboard/ui/CopyButton.js +31 -8
  160. package/lib/clipboard/ui/CopyButton.js.map +1 -1
  161. package/lib/clipboard/ui/CopyableValue.d.ts +51 -0
  162. package/lib/clipboard/ui/CopyableValue.d.ts.map +1 -0
  163. package/lib/clipboard/ui/CopyableValue.js +51 -0
  164. package/lib/clipboard/ui/CopyableValue.js.map +1 -0
  165. package/lib/clipboard/ui/copyFeedback.d.ts +38 -0
  166. package/lib/clipboard/ui/copyFeedback.d.ts.map +1 -0
  167. package/lib/clipboard/ui/copyFeedback.js +40 -0
  168. package/lib/clipboard/ui/copyFeedback.js.map +1 -0
  169. package/lib/clipboard/ui/index.d.ts +3 -1
  170. package/lib/clipboard/ui/index.d.ts.map +1 -1
  171. package/lib/clipboard/ui/index.js +1 -0
  172. package/lib/clipboard/ui/index.js.map +1 -1
  173. package/lib/clipboard/ui/useCopyToClipboard.d.ts +23 -7
  174. package/lib/clipboard/ui/useCopyToClipboard.d.ts.map +1 -1
  175. package/lib/clipboard/ui/useCopyToClipboard.js +33 -20
  176. package/lib/clipboard/ui/useCopyToClipboard.js.map +1 -1
  177. package/lib/color/core/hex.d.ts +10 -0
  178. package/lib/color/core/hex.d.ts.map +1 -1
  179. package/lib/color/core/hex.js +19 -3
  180. package/lib/color/core/hex.js.map +1 -1
  181. package/lib/color/core/hsv.d.ts.map +1 -1
  182. package/lib/color/core/hsv.js +4 -10
  183. package/lib/color/core/hsv.js.map +1 -1
  184. package/lib/color/core/index.d.ts +2 -2
  185. package/lib/color/core/index.d.ts.map +1 -1
  186. package/lib/color/core/index.js +2 -2
  187. package/lib/color/core/index.js.map +1 -1
  188. package/lib/color/core/interpolate.d.ts.map +1 -1
  189. package/lib/color/core/interpolate.js +2 -6
  190. package/lib/color/core/interpolate.js.map +1 -1
  191. package/lib/color/core/scale.d.ts +0 -28
  192. package/lib/color/core/scale.d.ts.map +1 -1
  193. package/lib/color/core/scale.js +3 -38
  194. package/lib/color/core/scale.js.map +1 -1
  195. package/lib/color/core/scaleText.d.ts.map +1 -1
  196. package/lib/color/core/scaleText.js +4 -5
  197. package/lib/color/core/scaleText.js.map +1 -1
  198. package/lib/color/ui/ColorScaleBar.d.ts +5 -0
  199. package/lib/color/ui/ColorScaleBar.d.ts.map +1 -1
  200. package/lib/color/ui/ColorScaleBar.js +2 -2
  201. package/lib/color/ui/ColorScaleBar.js.map +1 -1
  202. package/lib/color/ui/ColorScaleEditor.d.ts +5 -0
  203. package/lib/color/ui/ColorScaleEditor.d.ts.map +1 -1
  204. package/lib/color/ui/ColorScaleEditor.js +9 -13
  205. package/lib/color/ui/ColorScaleEditor.js.map +1 -1
  206. package/lib/color/ui/ColorScaleEntry.d.ts +28 -0
  207. package/lib/color/ui/ColorScaleEntry.d.ts.map +1 -0
  208. package/lib/color/ui/ColorScaleEntry.js +28 -0
  209. package/lib/color/ui/ColorScaleEntry.js.map +1 -0
  210. package/lib/color/ui/ColorScaleLegend.d.ts +14 -3
  211. package/lib/color/ui/ColorScaleLegend.d.ts.map +1 -1
  212. package/lib/color/ui/ColorScaleLegend.js +46 -16
  213. package/lib/color/ui/ColorScaleLegend.js.map +1 -1
  214. package/lib/color/ui/ColorScaleSelect.d.ts +5 -0
  215. package/lib/color/ui/ColorScaleSelect.d.ts.map +1 -1
  216. package/lib/color/ui/ColorScaleSelect.js +7 -36
  217. package/lib/color/ui/ColorScaleSelect.js.map +1 -1
  218. package/lib/confirm/ui/ConfirmButton.d.ts +34 -0
  219. package/lib/confirm/ui/ConfirmButton.d.ts.map +1 -0
  220. package/lib/confirm/ui/ConfirmButton.js +32 -0
  221. package/lib/confirm/ui/ConfirmButton.js.map +1 -0
  222. package/lib/confirm/ui/index.d.ts +3 -0
  223. package/lib/confirm/ui/index.d.ts.map +1 -0
  224. package/lib/confirm/ui/index.js +2 -0
  225. package/lib/confirm/ui/index.js.map +1 -0
  226. package/lib/core.d.ts +4 -1
  227. package/lib/core.d.ts.map +1 -1
  228. package/lib/core.js +6 -1
  229. package/lib/core.js.map +1 -1
  230. package/lib/credits/core/credits.d.ts +8 -3
  231. package/lib/credits/core/credits.d.ts.map +1 -1
  232. package/lib/credits/core/credits.js +9 -3
  233. package/lib/credits/core/credits.js.map +1 -1
  234. package/lib/credits/ui/CreditsList.d.ts.map +1 -1
  235. package/lib/credits/ui/CreditsList.js +4 -2
  236. package/lib/credits/ui/CreditsList.js.map +1 -1
  237. package/lib/delimited/core/index.d.ts +2 -4
  238. package/lib/delimited/core/index.d.ts.map +1 -1
  239. package/lib/delimited/core/index.js +2 -3
  240. package/lib/delimited/core/index.js.map +1 -1
  241. package/lib/delimited/ui/DelimitedTextDialog.d.ts.map +1 -1
  242. package/lib/delimited/ui/DelimitedTextDialog.js +2 -2
  243. package/lib/delimited/ui/DelimitedTextDialog.js.map +1 -1
  244. package/lib/delimited/ui/DelimitedTextPanel.d.ts +5 -0
  245. package/lib/delimited/ui/DelimitedTextPanel.d.ts.map +1 -1
  246. package/lib/delimited/ui/DelimitedTextPanel.js +10 -6
  247. package/lib/delimited/ui/DelimitedTextPanel.js.map +1 -1
  248. package/lib/deploy/core/checkDeploy.d.ts +20 -0
  249. package/lib/deploy/core/checkDeploy.d.ts.map +1 -0
  250. package/lib/deploy/core/checkDeploy.js +74 -0
  251. package/lib/deploy/core/checkDeploy.js.map +1 -0
  252. package/lib/deploy/core/composeDocument.d.ts +40 -0
  253. package/lib/deploy/core/composeDocument.d.ts.map +1 -0
  254. package/lib/deploy/core/composeDocument.js +125 -0
  255. package/lib/deploy/core/composeDocument.js.map +1 -0
  256. package/lib/deploy/core/composeFile.d.ts +25 -0
  257. package/lib/deploy/core/composeFile.d.ts.map +1 -0
  258. package/lib/deploy/core/composeFile.js +138 -0
  259. package/lib/deploy/core/composeFile.js.map +1 -0
  260. package/lib/deploy/core/envExample.d.ts +10 -0
  261. package/lib/deploy/core/envExample.d.ts.map +1 -0
  262. package/lib/deploy/core/envExample.js +36 -0
  263. package/lib/deploy/core/envExample.js.map +1 -0
  264. package/lib/deploy/core/index.d.ts +4 -0
  265. package/lib/deploy/core/index.d.ts.map +1 -0
  266. package/lib/deploy/core/index.js +3 -0
  267. package/lib/deploy/core/index.js.map +1 -0
  268. package/lib/deploy/core/markers.d.ts +10 -0
  269. package/lib/deploy/core/markers.d.ts.map +1 -0
  270. package/lib/deploy/core/markers.js +21 -0
  271. package/lib/deploy/core/markers.js.map +1 -0
  272. package/lib/deploy/core/types.d.ts +70 -0
  273. package/lib/deploy/core/types.d.ts.map +1 -0
  274. package/lib/deploy/core/types.js +10 -0
  275. package/lib/deploy/core/types.js.map +1 -0
  276. package/lib/disclosure/ui/CollapsibleSection.d.ts.map +1 -1
  277. package/lib/disclosure/ui/CollapsibleSection.js +2 -3
  278. package/lib/disclosure/ui/CollapsibleSection.js.map +1 -1
  279. package/lib/download/core/figureLegend.d.ts +90 -0
  280. package/lib/download/core/figureLegend.d.ts.map +1 -0
  281. package/lib/download/core/figureLegend.js +77 -0
  282. package/lib/download/core/figureLegend.js.map +1 -0
  283. package/lib/download/core/figureSvg.d.ts.map +1 -1
  284. package/lib/download/core/figureSvg.js +71 -1
  285. package/lib/download/core/figureSvg.js.map +1 -1
  286. package/lib/download/core/figureSvgDocument.d.ts +9 -2
  287. package/lib/download/core/figureSvgDocument.d.ts.map +1 -1
  288. package/lib/download/core/figureSvgDocument.js +4 -1
  289. package/lib/download/core/figureSvgDocument.js.map +1 -1
  290. package/lib/download/core/figureTarget.d.ts +11 -0
  291. package/lib/download/core/figureTarget.d.ts.map +1 -1
  292. package/lib/download/core/figureTarget.js +19 -0
  293. package/lib/download/core/figureTarget.js.map +1 -1
  294. package/lib/download/core/index.d.ts +3 -1
  295. package/lib/download/core/index.d.ts.map +1 -1
  296. package/lib/download/core/index.js +2 -1
  297. package/lib/download/core/index.js.map +1 -1
  298. package/lib/download/ui/FigureDownloadPanel.d.ts +6 -0
  299. package/lib/download/ui/FigureDownloadPanel.d.ts.map +1 -1
  300. package/lib/download/ui/FigureDownloadPanel.js +8 -4
  301. package/lib/download/ui/FigureDownloadPanel.js.map +1 -1
  302. package/lib/ecosystem/core/groups.d.ts +30 -0
  303. package/lib/ecosystem/core/groups.d.ts.map +1 -0
  304. package/lib/ecosystem/core/groups.js +42 -0
  305. package/lib/ecosystem/core/groups.js.map +1 -0
  306. package/lib/ecosystem/core/index.d.ts +7 -3
  307. package/lib/ecosystem/core/index.d.ts.map +1 -1
  308. package/lib/ecosystem/core/index.js +4 -3
  309. package/lib/ecosystem/core/index.js.map +1 -1
  310. package/lib/ecosystem/core/lookup.d.ts +21 -0
  311. package/lib/ecosystem/core/lookup.d.ts.map +1 -1
  312. package/lib/ecosystem/core/lookup.js +29 -0
  313. package/lib/ecosystem/core/lookup.js.map +1 -1
  314. package/lib/ecosystem/core/nameColors.d.ts +33 -0
  315. package/lib/ecosystem/core/nameColors.d.ts.map +1 -0
  316. package/lib/ecosystem/core/nameColors.js +23 -0
  317. package/lib/ecosystem/core/nameColors.js.map +1 -0
  318. package/lib/ecosystem/core/sites.d.ts +2 -47
  319. package/lib/ecosystem/core/sites.d.ts.map +1 -1
  320. package/lib/ecosystem/core/sites.js +47 -4
  321. package/lib/ecosystem/core/sites.js.map +1 -1
  322. package/lib/ecosystem/core/tokens.d.ts +0 -8
  323. package/lib/ecosystem/core/tokens.d.ts.map +1 -1
  324. package/lib/ecosystem/core/tokens.js +0 -10
  325. package/lib/ecosystem/core/tokens.js.map +1 -1
  326. package/lib/ecosystem/core/types.d.ts +71 -0
  327. package/lib/ecosystem/core/types.d.ts.map +1 -0
  328. package/lib/ecosystem/core/types.js +2 -0
  329. package/lib/ecosystem/core/types.js.map +1 -0
  330. package/lib/ecosystem/ui/EcosystemButton.d.ts +6 -0
  331. package/lib/ecosystem/ui/EcosystemButton.d.ts.map +1 -1
  332. package/lib/ecosystem/ui/EcosystemButton.js +3 -2
  333. package/lib/ecosystem/ui/EcosystemButton.js.map +1 -1
  334. package/lib/ecosystem/ui/EcosystemLinks.d.ts +12 -6
  335. package/lib/ecosystem/ui/EcosystemLinks.d.ts.map +1 -1
  336. package/lib/ecosystem/ui/EcosystemLinks.js +27 -21
  337. package/lib/ecosystem/ui/EcosystemLinks.js.map +1 -1
  338. package/lib/ecosystem/ui/EcosystemMenu.d.ts +15 -5
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@@ -0,0 +1,11 @@
1
+ /**
2
+ * The molstar-backed 3D molecule viewer.
3
+ *
4
+ * An entry point of its own, and not part of `react-cheminfo/ui`, because
5
+ * molstar is several megabytes: a site that only wants the Tools menu must
6
+ * never be made to carry it. The vocabulary — settings, tools, measurements —
7
+ * needs neither React nor molstar and is exported beside the component.
8
+ */
9
+
10
+ export * from './molecule3d/core/index.ts';
11
+ export * from './molecule3d/ui/index.ts';
@@ -8,8 +8,9 @@
8
8
  * off at a face. {@link enclosingRadius} gives the sphere holding almost all of
9
9
  * the electron, and the cube is drawn around that.
10
10
  *
11
- * Pure: no React, no molstar. `src/viewer` turns the returned field into a
12
- * surface, and the worker calls this off the main thread.
11
+ * Pure: no React, no molstar. `renderSampledVolume` in `react-cheminfo/orbital`
12
+ * turns the returned field into a surface, and a worker-backed
13
+ * `AtomicSampler` can call this off the main thread.
13
14
  */
14
15
 
15
16
  import type { AtomicOrbital } from './atomicOrbitals.ts';
@@ -34,6 +34,7 @@ import { slaterScreening } from './screening.ts';
34
34
  export interface AtomicOrbital {
35
35
  /** Url-safe and unique within the element, e.g. `3dx2-y2`. */
36
36
  id: string;
37
+ /** Principal quantum number, 1 to 7. */
37
38
  n: number;
38
39
  /** Angular momentum quantum number: 0 = s, 1 = p, 2 = d, 3 = f. */
39
40
  l: number;
@@ -179,11 +180,7 @@ export function hydrogenicParametersOf(
179
180
  * @param harmonic - Which real harmonic of the subshell.
180
181
  * @returns The id, e.g. `4fxyz`.
181
182
  */
182
- export function orbitalId(
183
- n: number,
184
- l: number,
185
- harmonic: RealHarmonic,
186
- ): string {
183
+ function orbitalId(n: number, l: number, harmonic: RealHarmonic): string {
187
184
  return `${n}${subshellLetter(l)}${harmonic.key}`;
188
185
  }
189
186
 
@@ -30,7 +30,10 @@ export const ENCLOSED_WEIGHT = 0.85;
30
30
  * object.
31
31
  */
32
32
  export interface Vec3 {
33
+ /** Along the x axis. */
33
34
  x: number;
35
+ /** Along the y axis. */
34
36
  y: number;
37
+ /** Along the z axis. */
35
38
  z: number;
36
39
  }
@@ -12,10 +12,13 @@
12
12
  * writes them in — `[Ar]3d⁵4s¹`, not `[Ar]4s¹3d⁵`.
13
13
  */
14
14
 
15
+ import { formatSuperscript } from '../../format/core/superscript.ts';
16
+
15
17
  import { subshellLetter } from './realHarmonics.ts';
16
18
 
17
19
  /** One subshell, e.g. `{ n: 3, l: 2 }` for 3d. */
18
20
  export interface Subshell {
21
+ /** Principal quantum number, from 1. */
19
22
  n: number;
20
23
  /** Angular momentum quantum number: 0 = s, 1 = p, 2 = d, 3 = f. */
21
24
  l: number;
@@ -23,11 +26,12 @@ export interface Subshell {
23
26
 
24
27
  /** A subshell and how many electrons sit in it. */
25
28
  export interface SubshellOccupancy extends Subshell {
29
+ /** How many electrons sit in it. */
26
30
  electrons: number;
27
31
  }
28
32
 
29
33
  /** No known element occupies a shell above n = 7. */
30
- const MAXIMUM_PRINCIPAL_NUMBER = 7;
34
+ export const MAXIMUM_PRINCIPAL_NUMBER = 7;
31
35
 
32
36
  /** Protons in the heaviest element that has been made. */
33
37
  export const HIGHEST_ATOMIC_NUMBER = 118;
@@ -40,7 +44,7 @@ export const NOBLE_GASES: readonly number[] = [2, 10, 18, 36, 54, 86, 118];
40
44
  * @param atomicNumber - Proton count to check.
41
45
  * @throws {Error} When it is not an integer between 1 and 118.
42
46
  */
43
- export function assertAtomicNumber(atomicNumber: number): void {
47
+ function assertAtomicNumber(atomicNumber: number): void {
44
48
  if (
45
49
  !Number.isInteger(atomicNumber) ||
46
50
  atomicNumber < 1 ||
@@ -76,26 +80,26 @@ export function subshellCapacity(l: number): number {
76
80
  * rather than observed, so nothing beyond Z = 103 is listed here.
77
81
  */
78
82
  export const ELEMENT_ANOMALIES: Record<number, SubshellOccupancy[]> = {
79
- 24: [o(3, 2, 5), o(4, 0, 1)],
80
- 29: [o(3, 2, 10), o(4, 0, 1)],
81
- 41: [o(4, 2, 4), o(5, 0, 1)],
82
- 42: [o(4, 2, 5), o(5, 0, 1)],
83
- 44: [o(4, 2, 7), o(5, 0, 1)],
84
- 45: [o(4, 2, 8), o(5, 0, 1)],
85
- 46: [o(4, 2, 10)],
86
- 47: [o(4, 2, 10), o(5, 0, 1)],
87
- 57: [o(5, 2, 1), o(6, 0, 2)],
88
- 58: [o(4, 3, 1), o(5, 2, 1), o(6, 0, 2)],
89
- 64: [o(4, 3, 7), o(5, 2, 1), o(6, 0, 2)],
90
- 78: [o(4, 3, 14), o(5, 2, 9), o(6, 0, 1)],
91
- 79: [o(4, 3, 14), o(5, 2, 10), o(6, 0, 1)],
92
- 89: [o(6, 2, 1), o(7, 0, 2)],
93
- 90: [o(6, 2, 2), o(7, 0, 2)],
94
- 91: [o(5, 3, 2), o(6, 2, 1), o(7, 0, 2)],
95
- 92: [o(5, 3, 3), o(6, 2, 1), o(7, 0, 2)],
96
- 93: [o(5, 3, 4), o(6, 2, 1), o(7, 0, 2)],
97
- 96: [o(5, 3, 7), o(6, 2, 1), o(7, 0, 2)],
98
- 103: [o(5, 3, 14), o(7, 0, 2), o(7, 1, 1)],
83
+ 24: [occupancy(3, 2, 5), occupancy(4, 0, 1)],
84
+ 29: [occupancy(3, 2, 10), occupancy(4, 0, 1)],
85
+ 41: [occupancy(4, 2, 4), occupancy(5, 0, 1)],
86
+ 42: [occupancy(4, 2, 5), occupancy(5, 0, 1)],
87
+ 44: [occupancy(4, 2, 7), occupancy(5, 0, 1)],
88
+ 45: [occupancy(4, 2, 8), occupancy(5, 0, 1)],
89
+ 46: [occupancy(4, 2, 10)],
90
+ 47: [occupancy(4, 2, 10), occupancy(5, 0, 1)],
91
+ 57: [occupancy(5, 2, 1), occupancy(6, 0, 2)],
92
+ 58: [occupancy(4, 3, 1), occupancy(5, 2, 1), occupancy(6, 0, 2)],
93
+ 64: [occupancy(4, 3, 7), occupancy(5, 2, 1), occupancy(6, 0, 2)],
94
+ 78: [occupancy(4, 3, 14), occupancy(5, 2, 9), occupancy(6, 0, 1)],
95
+ 79: [occupancy(4, 3, 14), occupancy(5, 2, 10), occupancy(6, 0, 1)],
96
+ 89: [occupancy(6, 2, 1), occupancy(7, 0, 2)],
97
+ 90: [occupancy(6, 2, 2), occupancy(7, 0, 2)],
98
+ 91: [occupancy(5, 3, 2), occupancy(6, 2, 1), occupancy(7, 0, 2)],
99
+ 92: [occupancy(5, 3, 3), occupancy(6, 2, 1), occupancy(7, 0, 2)],
100
+ 93: [occupancy(5, 3, 4), occupancy(6, 2, 1), occupancy(7, 0, 2)],
101
+ 96: [occupancy(5, 3, 7), occupancy(6, 2, 1), occupancy(7, 0, 2)],
102
+ 103: [occupancy(5, 3, 14), occupancy(7, 0, 2), occupancy(7, 1, 1)],
99
103
  };
100
104
 
101
105
  /**
@@ -169,7 +173,7 @@ export function formatConfiguration(
169
173
  * @returns The label with a superscript electron count.
170
174
  */
171
175
  export function formatOccupancy(occupancy: SubshellOccupancy): string {
172
- return `${subshellLabel(occupancy)}${superscript(occupancy.electrons)}`;
176
+ return `${subshellLabel(occupancy)}${formatSuperscript(occupancy.electrons)}`;
173
177
  }
174
178
 
175
179
  /**
@@ -181,22 +185,7 @@ export function subshellLabel(subshell: Subshell): string {
181
185
  return `${subshell.n}${subshellLetter(subshell.l)}`;
182
186
  }
183
187
 
184
- /**
185
- * Render a number in unicode superscript digits.
186
- * @param value - A non-negative integer.
187
- * @returns The digits as superscripts, e.g. `14` becomes `¹⁴`.
188
- */
189
- export function superscript(value: number): string {
190
- let text = '';
191
- for (const digit of String(value)) {
192
- text += SUPERSCRIPT_DIGITS[Number(digit)] ?? digit;
193
- }
194
- return text;
195
- }
196
-
197
- const SUPERSCRIPT_DIGITS = ['⁰', '¹', '²', '³', '⁴', '⁵', '⁶', '⁷', '⁸', '⁹'];
198
-
199
- function o(n: number, l: number, electrons: number): SubshellOccupancy {
188
+ function occupancy(n: number, l: number, electrons: number): SubshellOccupancy {
200
189
  return { n, l, electrons };
201
190
  }
202
191
 
@@ -226,7 +215,7 @@ function sortByShell(occupancies: SubshellOccupancy[]): SubshellOccupancy[] {
226
215
  /**
227
216
  * Madelung order: ascending `n + ℓ`, then ascending `n`. Capped at ℓ = 3 — the
228
217
  * g subshells a Madelung diagram shows after 8s are unoccupied in every known
229
- * element, and this site has no g harmonics to draw them with.
218
+ * element, and `REAL_HARMONICS` holds no g harmonics to draw them with.
230
219
  * @returns The subshells, in filling order.
231
220
  */
232
221
  function buildMadelungOrder(): Subshell[] {
@@ -36,8 +36,11 @@ export interface OrbitalGrid {
36
36
  origin: Vec3;
37
37
  /** Distance between neighbouring samples on every axis, ångström. */
38
38
  spacing: number;
39
+ /** Smallest sample. */
39
40
  min: number;
41
+ /** Largest sample. */
40
42
  max: number;
43
+ /** Mean of the samples. */
41
44
  mean: number;
42
45
  /** Population standard deviation of the samples. */
43
46
  sigma: number;
@@ -49,6 +49,11 @@ export {
49
49
  } from './occupancy.ts';
50
50
  export type { PhasePalette, PhasePaletteId } from './palette.ts';
51
51
  export { DEFAULT_PHASE_PALETTE_ID, PHASE_PALETTES } from './palette.ts';
52
+ export type {
53
+ RadialDistribution,
54
+ RadialDistributionOptions,
55
+ } from './radialDistribution.ts';
56
+ export { radialDistribution } from './radialDistribution.ts';
52
57
  export type { RealHarmonic } from './realHarmonics.ts';
53
58
  export {
54
59
  REAL_HARMONICS,
@@ -11,8 +11,9 @@
11
11
  * absolute `1e-5` and returns no isovalue at all — a guard against degenerate
12
12
  * data that instead reads the amplitude *scale*. Amplitudes are Å^(-3/2), so a
13
13
  * diffuse orbital is normalised straight into that range and draws nothing:
14
- * caesium's 6s reaches 13 Å, and 2588 of the 7460 orbitals lcao.cheminfo.org
15
- * offers came back blank. A quantile has no scale of its own and cannot.
14
+ * caesium's 6s reaches 13 Å and falls under it, as does about a third of the
15
+ * orbitals of the periodic table. A quantile has no scale of its own and
16
+ * cannot.
16
17
  *
17
18
  * Every pass below touches each of the million-odd samples, so all of them are
18
19
  * indexed loops: `for…of` over a `Float32Array` measures 6.7× slower.
@@ -8,11 +8,9 @@
8
8
  */
9
9
 
10
10
  import type { SubshellOccupancy } from './electronConfiguration.ts';
11
+ import { MAXIMUM_PRINCIPAL_NUMBER } from './electronConfiguration.ts';
11
12
  import { groupRank } from './screening.ts';
12
13
 
13
- /** No known element occupies a shell above n = 7. */
14
- const HIGHEST_SHELL = 7;
15
-
16
14
  /**
17
15
  * Slater's rules can hand a badly-screened orbital a charge at or below zero —
18
16
  * a 7p on hydrogen, say — which has no bound hydrogen-like solution. Clamping
@@ -49,7 +47,7 @@ export function hundDistribution(
49
47
  * @returns One shell past it, never below 4 and never above 7.
50
48
  */
51
49
  export function defaultMaximumShell(valenceShell: number): number {
52
- return Math.min(HIGHEST_SHELL, Math.max(4, valenceShell + 1));
50
+ return Math.min(MAXIMUM_PRINCIPAL_NUMBER, Math.max(4, valenceShell + 1));
53
51
  }
54
52
 
55
53
  /**
@@ -8,10 +8,11 @@
8
8
  */
9
9
 
10
10
  /** Which pair of phase colours the viewer uses. */
11
- export type PhasePaletteId = 'textbook' | 'colourBlindSafe';
11
+ export type PhasePaletteId = 'textbook' | 'colorBlindSafe';
12
12
 
13
13
  /** The colours one phase palette provides. */
14
14
  export interface PhasePalette {
15
+ /** Key of the palette in {@link PHASE_PALETTES}. */
15
16
  id: PhasePaletteId;
16
17
  /** Name shown in the palette picker. */
17
18
  label: string;
@@ -19,9 +20,12 @@ export interface PhasePalette {
19
20
  positive: string;
20
21
  /** Lobe where the wavefunction is negative. */
21
22
  negative: string;
22
- /** Lobe drawn with the `phase` display flag off. */
23
+ /**
24
+ * Lobe drawn when the phases are not told apart, for a caller that offers
25
+ * a sign-blind view.
26
+ */
23
27
  neutral: string;
24
- /** Translucent disc marking a nodal plane. */
28
+ /** Translucent disc marking a nodal plane, for a caller that draws one. */
25
29
  node: string;
26
30
  }
27
31
 
@@ -29,7 +33,7 @@ export interface PhasePalette {
29
33
  * The two phase palettes.
30
34
  *
31
35
  * `textbook` is the blue/red of printed MO diagrams and of Jmol's signed
32
- * isosurfaces; `colourBlindSafe` swaps the negative lobe for the amber of the
36
+ * isosurfaces; `colorBlindSafe` swaps the negative lobe for the amber of the
33
37
  * Okabe-Ito qualitative palette, which stays separable under protanopia,
34
38
  * deuteranopia and tritanopia.
35
39
  */
@@ -42,8 +46,8 @@ export const PHASE_PALETTES: Record<PhasePaletteId, PhasePalette> = {
42
46
  neutral: '#9ca3af',
43
47
  node: '#64748b',
44
48
  },
45
- colourBlindSafe: {
46
- id: 'colourBlindSafe',
49
+ colorBlindSafe: {
50
+ id: 'colorBlindSafe',
47
51
  label: 'Blue / yellow (colour-blind safe)',
48
52
  positive: '#0072b2',
49
53
  negative: '#e69f00',
@@ -0,0 +1,97 @@
1
+ /**
2
+ * The radial distribution of one orbital, sampled once for a plot: the curve,
3
+ * the amplitude behind it, where it peaks, and where its nodes are.
4
+ *
5
+ * A plot, its caption and its accessible label all read the same record, so
6
+ * the number a sentence quotes is the number the curve was drawn from.
7
+ */
8
+
9
+ import type { HydrogenicParameters } from './hydrogenic.ts';
10
+ import {
11
+ enclosingRadius,
12
+ radialNodeRadii,
13
+ radialProfile,
14
+ } from './hydrogenic.ts';
15
+
16
+ /** How finely, and how far out, the distribution is sampled. */
17
+ export interface RadialDistributionOptions {
18
+ /**
19
+ * Samples between the nucleus and the end of the range, at least 2.
20
+ * @default 600
21
+ */
22
+ samples?: number;
23
+ /**
24
+ * Share of the electron the sampled range must hold, between 0 and 1. The
25
+ * range is then widened by a tenth, so the tail is seen flattening out.
26
+ * @default 0.995
27
+ */
28
+ enclosed?: number;
29
+ }
30
+
31
+ /** One orbital's radial distribution, as a plot reads it. */
32
+ export interface RadialDistribution {
33
+ /** Distance of every sample from the nucleus, ångström, from 0 to `limit`. */
34
+ distances: Float64Array;
35
+ /** The radial function `R(r)` at each sample, Å^(-3/2), signed. */
36
+ amplitude: Float64Array;
37
+ /** The radial distribution `r²R(r)²` at each sample, Å⁻¹. */
38
+ density: Float64Array;
39
+ /** Where the sampled range ends, ångström. */
40
+ limit: number;
41
+ /** The largest value of `density`. */
42
+ peakDensity: number;
43
+ /** The largest magnitude of `amplitude`. */
44
+ peakAmplitude: number;
45
+ /** The sampled distance at which `density` peaks, ångström. */
46
+ peakDistance: number;
47
+ /** The radii of the radial nodes, ångström, ascending. */
48
+ nodeRadii: number[];
49
+ }
50
+
51
+ /** How much the range is widened past the enclosing sphere. */
52
+ const RANGE_MARGIN = 1.1;
53
+
54
+ /**
55
+ * Sample the radial distribution of an orbital over the range that holds it.
56
+ * @param parameters - Which orbital, and how strongly it is bound.
57
+ * @param options - See {@link RadialDistributionOptions}.
58
+ * @returns The samples, their extremes and the node radii.
59
+ * @throws {Error} When the quantum numbers are not a real orbital, the charge
60
+ * is not positive, `enclosed` is outside `(0, 1)` or `samples` is below 2.
61
+ */
62
+ export function radialDistribution(
63
+ parameters: HydrogenicParameters,
64
+ options: RadialDistributionOptions = {},
65
+ ): RadialDistribution {
66
+ const { samples = 600, enclosed = 0.995 } = options;
67
+ const limit = enclosingRadius(parameters, enclosed) * RANGE_MARGIN;
68
+ const { distances, amplitude, density } = radialProfile(
69
+ parameters,
70
+ limit,
71
+ samples,
72
+ );
73
+
74
+ let peakDensity = 0;
75
+ let peakDistance = 0;
76
+ let peakAmplitude = 0;
77
+ for (let index = 0; index < samples; index++) {
78
+ const value = density[index] as number;
79
+ if (value > peakDensity) {
80
+ peakDensity = value;
81
+ peakDistance = distances[index] as number;
82
+ }
83
+ const magnitude = Math.abs(amplitude[index] as number);
84
+ if (magnitude > peakAmplitude) peakAmplitude = magnitude;
85
+ }
86
+
87
+ return {
88
+ distances,
89
+ amplitude,
90
+ density,
91
+ limit,
92
+ peakDensity,
93
+ peakAmplitude,
94
+ peakDistance,
95
+ nodeRadii: radialNodeRadii(parameters, limit),
96
+ };
97
+ }
@@ -11,8 +11,8 @@
11
11
  * this file is where that fact becomes visible: `s` has none, every `p` has one
12
12
  * plane, every `d` two surfaces, every `f` three.
13
13
  *
14
- * `key` is ascii and appears in a URL — `#/elements/Fe/3dx2-y2`; `label` is the
15
- * typeset subscript a student reads.
14
+ * `key` is ascii and url-safe, so an orbital id such as `3dx2-y2` can sit in
15
+ * an address; `label` is the typeset subscript a student reads.
16
16
  */
17
17
 
18
18
  /** Subshell letter for an angular momentum, `s p d f`. */
@@ -150,7 +150,7 @@ export const REAL_HARMONICS: RealHarmonic[][] = [
150
150
  * The harmonics of one subshell.
151
151
  * @param l - Angular momentum quantum number, 0 to 3.
152
152
  * @returns Its `2ℓ + 1` real harmonics, in list order.
153
- * @throws {Error} When ℓ is outside the s, p, d and f shells this site draws.
153
+ * @throws {Error} When ℓ is outside the s, p, d and f shells.
154
154
  */
155
155
  export function harmonicsOf(l: number): RealHarmonic[] {
156
156
  const shell = REAL_HARMONICS[l];
@@ -6,24 +6,26 @@
6
6
  * reason the two components are separate files.
7
7
  */
8
8
 
9
- import { Button } from '@blueprintjs/core';
10
9
  import type { CSSProperties, ReactElement } from 'react';
11
10
  import { useEffect, useRef, useState } from 'react';
12
11
 
13
- import type { HelpContent } from '../../help/ui/HelpBody.tsx';
14
- import { HelpTooltip } from '../../help/ui/HelpTooltip.tsx';
12
+ import { errorMessage } from '../../error/core/index.ts';
13
+ import { useResizeObserver } from '../../hooks/ui/useResizeObserver.ts';
14
+ import { TOKEN } from '../../tokens/core/familyTokens.ts';
15
15
  import type { ResolutionLimits } from '../core/atomicGrid.ts';
16
16
  import type { PhasePalette } from '../core/palette.ts';
17
17
  import { PHASE_PALETTES } from '../core/palette.ts';
18
18
  import type { AtomicSampler } from '../core/sample.ts';
19
19
  import { sampleInProcess } from '../core/sample.ts';
20
20
 
21
+ import { AtomicOrbitalControls } from './AtomicOrbitalControls.tsx';
21
22
  import { DEFAULT_SPIN_SPEED } from './camera.ts';
23
+ import { fitAxes, resolutionKey } from './orbitalCanvasHelpers.ts';
22
24
  import type { OrbitalViewer } from './viewer.ts';
23
25
  import { createOrbitalViewer } from './viewer.ts';
24
26
 
25
27
  /** Props of {@link AtomicOrbitalCanvas}. */
26
- export interface AtomicOrbitalCanvasProps {
28
+ interface AtomicOrbitalCanvasProps {
27
29
  /** Proton count of the element on screen. */
28
30
  atomicNumber: number;
29
31
  /** Which orbital of it, e.g. `3dz2`. */
@@ -84,10 +86,11 @@ export interface AtomicOrbitalCanvasProps {
84
86
  */
85
87
  onNodeRadii?: (radii: number[]) => void;
86
88
  /**
87
- * Called when an orbital cannot be drawn, with the reason.
89
+ * Called with the reason when an orbital cannot be drawn, and with `null`
90
+ * once one has been drawn again.
88
91
  * @default undefined
89
92
  */
90
- onError?: (message: string) => void;
93
+ onFailureChange?: (message: string | null) => void;
91
94
  }
92
95
 
93
96
  /**
@@ -109,7 +112,7 @@ export function AtomicOrbitalCanvas(
109
112
  sample = sampleInProcess,
110
113
  onAxesChange,
111
114
  onNodeRadii,
112
- onError,
115
+ onFailureChange,
113
116
  } = props;
114
117
 
115
118
  const containerRef = useRef<HTMLDivElement>(null);
@@ -132,9 +135,9 @@ export function AtomicOrbitalCanvas(
132
135
 
133
136
  // Callbacks are read through refs so a caller passing an inline arrow does
134
137
  // not re-sample the orbital on every render of its parent.
135
- const callbacks = useRef({ onAxesChange, onNodeRadii, onError });
138
+ const callbacks = useRef({ onAxesChange, onNodeRadii, onFailureChange });
136
139
  useEffect(() => {
137
- callbacks.current = { onAxesChange, onNodeRadii, onError };
140
+ callbacks.current = { onAxesChange, onNodeRadii, onFailureChange };
138
141
  });
139
142
 
140
143
  // Created and disposed once per mount. React 19 runs this twice in
@@ -145,17 +148,16 @@ export function AtomicOrbitalCanvas(
145
148
  if (container === null) return;
146
149
  const viewer = createOrbitalViewer(container);
147
150
  viewerRef.current = viewer;
148
- const observer = new ResizeObserver(() => {
149
- viewer.handleResize();
150
- });
151
- observer.observe(container);
152
151
  return () => {
153
- observer.disconnect();
154
152
  viewerRef.current = null;
155
153
  viewer.dispose();
156
154
  };
157
155
  }, []);
158
156
 
157
+ useResizeObserver(containerRef, () => {
158
+ viewerRef.current?.handleResize();
159
+ });
160
+
159
161
  useEffect(() => {
160
162
  const viewer = viewerRef.current;
161
163
  if (viewer === null) return;
@@ -165,18 +167,18 @@ export function AtomicOrbitalCanvas(
165
167
  if (cancelled) return;
166
168
  callbacks.current.onNodeRadii?.(result.nodeRadii);
167
169
  const reach = await viewer.showOrbital(result.grid, result.contour, {
168
- positiveColour: palette.positive,
169
- negativeColour: palette.negative,
170
+ positiveColor: palette.positive,
171
+ negativeColor: palette.negative,
170
172
  });
171
173
  reachRef.current = reach ?? null;
172
174
  await viewer.refit(await fitAxes(viewer, reach, axesRef.current));
173
- if (!cancelled) setDrawn(wanted);
175
+ if (cancelled) return;
176
+ setDrawn(wanted);
177
+ callbacks.current.onFailureChange?.(null);
174
178
  })
175
179
  .catch((error: unknown) => {
176
180
  if (cancelled) return;
177
- callbacks.current.onError?.(
178
- error instanceof Error ? error.message : String(error),
179
- );
181
+ callbacks.current.onFailureChange?.(errorMessage(error));
180
182
  });
181
183
  return () => {
182
184
  cancelled = true;
@@ -200,89 +202,23 @@ export function AtomicOrbitalCanvas(
200
202
  return (
201
203
  <div ref={containerRef} style={CANVAS_STYLE}>
202
204
  {busy && <div style={BUSY_STYLE}>Sampling…</div>}
203
- <div style={CONTROLS_STYLE}>
204
- <HelpTooltip content={AXES_HELP} placement="bottom">
205
- <Button
206
- variant="minimal"
207
- size="small"
208
- icon="grid"
209
- active={axes}
210
- aria-label="Show the x, y, z axes"
211
- aria-pressed={axes}
212
- onClick={() => {
213
- setAxes(!axes);
214
- callbacks.current.onAxesChange?.(!axes);
215
- }}
216
- />
217
- </HelpTooltip>
218
- <HelpTooltip content={RESET_HELP} placement="bottom">
219
- <Button
220
- variant="minimal"
221
- size="small"
222
- icon="zoom-to-fit"
223
- aria-label="Reset the view"
224
- onClick={() => {
225
- void viewerRef.current?.resetView();
226
- }}
227
- />
228
- </HelpTooltip>
229
- </div>
205
+ <AtomicOrbitalControls
206
+ axes={axes}
207
+ onToggleAxes={() => {
208
+ setAxes(!axes);
209
+ callbacks.current.onAxesChange?.(!axes);
210
+ }}
211
+ onResetView={() => {
212
+ void viewerRef.current?.resetView();
213
+ }}
214
+ />
230
215
  </div>
231
216
  );
232
217
  }
233
218
 
234
- /**
235
- * Draw the cartesian frame around the orbital, or remove it.
236
- * @param viewer - The viewer holding the canvas.
237
- * @param reach - How far the drawn surface reaches, as `showOrbital` returned
238
- * it.
239
- * @param axes - Whether the frame is wanted.
240
- * @returns What the camera has to fit: the frame reaches past the surface, so
241
- * turning it on has to zoom out or the labels sit off screen.
242
- */
243
- async function fitAxes(
244
- viewer: OrbitalViewer,
245
- reach: number | undefined,
246
- axes: boolean,
247
- ): Promise<number | undefined> {
248
- if (!axes) {
249
- await viewer.hideAxes();
250
- return reach;
251
- }
252
- if (reach === undefined) return undefined;
253
- return (await viewer.showAxes(reach)) ?? reach;
254
- }
255
-
256
- /** What the frame button says it is for. */
257
- const AXES_HELP: HelpContent = {
258
- title: 'Cartesian axes',
259
- body: 'Draw x, y and z through the nucleus. The label names an orbital by where its lobes sit against them.',
260
- example: {
261
- code: '3d_yz',
262
- note: 'four lobes between the y and z axes, none on either.',
263
- },
264
- };
265
-
266
- /** What the reset button says it is for. */
267
- const RESET_HELP: HelpContent = {
268
- title: 'Reset the view',
269
- body: 'Back to the angle and zoom the orbital opened on. A change of orbital keeps whatever view you have turned it to.',
270
- };
271
-
272
219
  /** Samples per edge; 56 resolves the radial node of a 3s in about 25 ms. */
273
220
  const DEFAULT_RESOLUTION = 56;
274
221
 
275
- /**
276
- * A stable identity for either shape the resolution prop can take.
277
- * @param resolution - A fixed sample count, or the limits it may vary between.
278
- * @returns A string that changes exactly when the sampling would.
279
- */
280
- function resolutionKey(resolution: number | ResolutionLimits): string {
281
- return typeof resolution === 'number'
282
- ? String(resolution)
283
- : `${resolution.floor}-${resolution.cap}`;
284
- }
285
-
286
222
  /**
287
223
  * A square, centred stage: an atomic orbital is as tall as it is wide, so a
288
224
  * square wastes the least of the frame and keeps the lobes the same size when
@@ -299,20 +235,6 @@ const CANVAS_STYLE: CSSProperties = {
299
235
  overflow: 'hidden',
300
236
  };
301
237
 
302
- /**
303
- * The two controls the canvas owns: the frame, and the way back to the framing
304
- * the orbital opened on — a change of orbital now keeps whatever angle and zoom
305
- * the student is on.
306
- */
307
- const CONTROLS_STYLE: CSSProperties = {
308
- position: 'absolute',
309
- top: 4,
310
- right: 4,
311
- zIndex: 1,
312
- display: 'flex',
313
- gap: 2,
314
- };
315
-
316
238
  const BUSY_STYLE: CSSProperties = {
317
239
  position: 'absolute',
318
240
  top: 8,
@@ -320,7 +242,8 @@ const BUSY_STYLE: CSSProperties = {
320
242
  zIndex: 1,
321
243
  padding: '3px 8px',
322
244
  borderRadius: 3,
323
- background: 'rgba(255, 255, 255, 0.85)',
324
- color: 'var(--text-muted, #5f6b7c)',
245
+ background: TOKEN.surface,
246
+ opacity: 0.85,
247
+ color: TOKEN.textMuted,
325
248
  fontSize: 11,
326
249
  };