react-cheminfo 0.65.0 → 0.67.0

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 (466) hide show
  1. package/README.md +33 -17
  2. package/lib/download/ui/FigureDownloadPanel.d.ts +7 -1
  3. package/lib/download/ui/FigureDownloadPanel.d.ts.map +1 -1
  4. package/lib/download/ui/FigureDownloadPanel.js +2 -2
  5. package/lib/download/ui/FigureDownloadPanel.js.map +1 -1
  6. package/lib/ecosystem/core/sites.js +3 -3
  7. package/lib/ecosystem/core/sites.js.map +1 -1
  8. package/lib/ecosystem/core/types.d.ts +1 -1
  9. package/lib/ecosystem/core/types.d.ts.map +1 -1
  10. package/lib/ecosystem/ui/glyphs.js +1 -1
  11. package/lib/ecosystem/ui/glyphs.js.map +1 -1
  12. package/lib/i18n/core/chromeCatalog.d.ts +1 -1
  13. package/lib/i18n/core/chromeCatalog.d.ts.map +1 -1
  14. package/lib/i18n/core/messageCatalog.d.ts +2 -2
  15. package/lib/i18n/vite/localeCatalog.d.ts +1 -1
  16. package/lib/ir/core/analysisSpectra.d.ts +23 -6
  17. package/lib/ir/core/analysisSpectra.d.ts.map +1 -1
  18. package/lib/ir/core/analysisSpectra.js.map +1 -1
  19. package/lib/ir/core/bandLabelPlan.d.ts.map +1 -1
  20. package/lib/ir/core/bandLabelPlan.js +11 -6
  21. package/lib/ir/core/bandLabelPlan.js.map +1 -1
  22. package/lib/ir/core/index.d.ts +15 -11
  23. package/lib/ir/core/index.d.ts.map +1 -1
  24. package/lib/ir/core/index.js +9 -6
  25. package/lib/ir/core/index.js.map +1 -1
  26. package/lib/ir/core/irBand.d.ts +45 -14
  27. package/lib/ir/core/irBand.d.ts.map +1 -1
  28. package/lib/ir/core/irBand.js +28 -6
  29. package/lib/ir/core/irBand.js.map +1 -1
  30. package/lib/ir/core/irCommands.d.ts +11 -0
  31. package/lib/ir/core/irCommands.d.ts.map +1 -1
  32. package/lib/ir/core/irCommands.js +11 -1
  33. package/lib/ir/core/irCommands.js.map +1 -1
  34. package/lib/ir/core/irDomain.d.ts +4 -3
  35. package/lib/ir/core/irDomain.d.ts.map +1 -1
  36. package/lib/ir/core/irDomain.js +10 -7
  37. package/lib/ir/core/irDomain.js.map +1 -1
  38. package/lib/ir/core/irEditorApi.d.ts +12 -0
  39. package/lib/ir/core/irEditorApi.d.ts.map +1 -1
  40. package/lib/ir/core/irFormat.d.ts +14 -2
  41. package/lib/ir/core/irFormat.d.ts.map +1 -1
  42. package/lib/ir/core/irFormat.js +33 -4
  43. package/lib/ir/core/irFormat.js.map +1 -1
  44. package/lib/ir/core/irMode.d.ts +35 -8
  45. package/lib/ir/core/irMode.d.ts.map +1 -1
  46. package/lib/ir/core/irMode.js +38 -10
  47. package/lib/ir/core/irMode.js.map +1 -1
  48. package/lib/ir/core/irReducer.d.ts +2 -30
  49. package/lib/ir/core/irReducer.d.ts.map +1 -1
  50. package/lib/ir/core/irReducer.js +1 -24
  51. package/lib/ir/core/irReducer.js.map +1 -1
  52. package/lib/ir/core/irSidePanels.d.ts +7 -1
  53. package/lib/ir/core/irSidePanels.d.ts.map +1 -1
  54. package/lib/ir/core/irSpectrum.d.ts +52 -26
  55. package/lib/ir/core/irSpectrum.d.ts.map +1 -1
  56. package/lib/ir/core/irSpectrum.js +21 -15
  57. package/lib/ir/core/irSpectrum.js.map +1 -1
  58. package/lib/ir/core/irState.d.ts +46 -5
  59. package/lib/ir/core/irState.d.ts.map +1 -1
  60. package/lib/ir/core/irState.js +38 -1
  61. package/lib/ir/core/irState.js.map +1 -1
  62. package/lib/ir/core/irTechnique.d.ts +94 -0
  63. package/lib/ir/core/irTechnique.d.ts.map +1 -0
  64. package/lib/ir/core/irTechnique.js +87 -0
  65. package/lib/ir/core/irTechnique.js.map +1 -0
  66. package/lib/ir/core/irTechniqueCommands.d.ts +26 -0
  67. package/lib/ir/core/irTechniqueCommands.d.ts.map +1 -0
  68. package/lib/ir/core/irTechniqueCommands.js +68 -0
  69. package/lib/ir/core/irTechniqueCommands.js.map +1 -0
  70. package/lib/ir/core/pickBands.d.ts +6 -5
  71. package/lib/ir/core/pickBands.d.ts.map +1 -1
  72. package/lib/ir/core/pickBands.js +49 -26
  73. package/lib/ir/core/pickBands.js.map +1 -1
  74. package/lib/ir/core/ramanBands.d.ts +30 -0
  75. package/lib/ir/core/ramanBands.d.ts.map +1 -0
  76. package/lib/ir/core/ramanBands.js +83 -0
  77. package/lib/ir/core/ramanBands.js.map +1 -0
  78. package/lib/ir/core/spectrumJcamp.d.ts +10 -5
  79. package/lib/ir/core/spectrumJcamp.d.ts.map +1 -1
  80. package/lib/ir/core/spectrumJcamp.js +63 -15
  81. package/lib/ir/core/spectrumJcamp.js.map +1 -1
  82. package/lib/ir/core/toIrSpectrum.d.ts.map +1 -1
  83. package/lib/ir/core/toIrSpectrum.js +17 -2
  84. package/lib/ir/core/toIrSpectrum.js.map +1 -1
  85. package/lib/ir/ui/BandRow.d.ts +30 -0
  86. package/lib/ir/ui/BandRow.d.ts.map +1 -0
  87. package/lib/ir/ui/BandRow.js +42 -0
  88. package/lib/ir/ui/BandRow.js.map +1 -0
  89. package/lib/ir/ui/BandsPanel.d.ts +4 -0
  90. package/lib/ir/ui/BandsPanel.d.ts.map +1 -1
  91. package/lib/ir/ui/BandsPanel.js +14 -59
  92. package/lib/ir/ui/BandsPanel.js.map +1 -1
  93. package/lib/ir/ui/IrAboutDialog.d.ts +7 -0
  94. package/lib/ir/ui/IrAboutDialog.d.ts.map +1 -1
  95. package/lib/ir/ui/IrAboutDialog.js +16 -3
  96. package/lib/ir/ui/IrAboutDialog.js.map +1 -1
  97. package/lib/ir/ui/IrCanvas.d.ts +7 -0
  98. package/lib/ir/ui/IrCanvas.d.ts.map +1 -1
  99. package/lib/ir/ui/IrCanvas.js +9 -4
  100. package/lib/ir/ui/IrCanvas.js.map +1 -1
  101. package/lib/ir/ui/IrChart.d.ts +2 -1
  102. package/lib/ir/ui/IrChart.d.ts.map +1 -1
  103. package/lib/ir/ui/IrChart.js +22 -21
  104. package/lib/ir/ui/IrChart.js.map +1 -1
  105. package/lib/ir/ui/IrCommandProvider.d.ts +7 -0
  106. package/lib/ir/ui/IrCommandProvider.d.ts.map +1 -1
  107. package/lib/ir/ui/IrCommandProvider.js +2 -2
  108. package/lib/ir/ui/IrCommandProvider.js.map +1 -1
  109. package/lib/ir/ui/IrCommandTooltip.d.ts +7 -0
  110. package/lib/ir/ui/IrCommandTooltip.d.ts.map +1 -1
  111. package/lib/ir/ui/IrCommandTooltip.js +3 -2
  112. package/lib/ir/ui/IrCommandTooltip.js.map +1 -1
  113. package/lib/ir/ui/IrDocumentationDialog.d.ts +8 -1
  114. package/lib/ir/ui/IrDocumentationDialog.d.ts.map +1 -1
  115. package/lib/ir/ui/IrDocumentationDialog.js +30 -7
  116. package/lib/ir/ui/IrDocumentationDialog.js.map +1 -1
  117. package/lib/ir/ui/IrEditor.d.ts +25 -5
  118. package/lib/ir/ui/IrEditor.d.ts.map +1 -1
  119. package/lib/ir/ui/IrEditor.js +3 -20
  120. package/lib/ir/ui/IrEditor.js.map +1 -1
  121. package/lib/ir/ui/IrHeader.d.ts.map +1 -1
  122. package/lib/ir/ui/IrHeader.js +5 -1
  123. package/lib/ir/ui/IrHeader.js.map +1 -1
  124. package/lib/ir/ui/IrLogo.d.ts +11 -3
  125. package/lib/ir/ui/IrLogo.d.ts.map +1 -1
  126. package/lib/ir/ui/IrLogo.js +14 -5
  127. package/lib/ir/ui/IrLogo.js.map +1 -1
  128. package/lib/ir/ui/IrShell.d.ts +9 -1
  129. package/lib/ir/ui/IrShell.d.ts.map +1 -1
  130. package/lib/ir/ui/IrShell.js +26 -74
  131. package/lib/ir/ui/IrShell.js.map +1 -1
  132. package/lib/ir/ui/IrSidePanel.d.ts +11 -0
  133. package/lib/ir/ui/IrSidePanel.d.ts.map +1 -1
  134. package/lib/ir/ui/IrSidePanel.js +12 -3
  135. package/lib/ir/ui/IrSidePanel.js.map +1 -1
  136. package/lib/ir/ui/IrStatusBar.d.ts +3 -2
  137. package/lib/ir/ui/IrStatusBar.d.ts.map +1 -1
  138. package/lib/ir/ui/IrStatusBar.js +14 -9
  139. package/lib/ir/ui/IrStatusBar.js.map +1 -1
  140. package/lib/ir/ui/IrToolbar.d.ts +3 -0
  141. package/lib/ir/ui/IrToolbar.d.ts.map +1 -1
  142. package/lib/ir/ui/IrToolbar.js +10 -3
  143. package/lib/ir/ui/IrToolbar.js.map +1 -1
  144. package/lib/ir/ui/IrTraces.d.ts +4 -1
  145. package/lib/ir/ui/IrTraces.d.ts.map +1 -1
  146. package/lib/ir/ui/IrTraces.js +2 -0
  147. package/lib/ir/ui/IrTraces.js.map +1 -1
  148. package/lib/ir/ui/RamanEditor.d.ts +64 -0
  149. package/lib/ir/ui/RamanEditor.d.ts.map +1 -0
  150. package/lib/ir/ui/RamanEditor.js +17 -0
  151. package/lib/ir/ui/RamanEditor.js.map +1 -0
  152. package/lib/ir/ui/SpectraPanel.d.ts.map +1 -1
  153. package/lib/ir/ui/SpectraPanel.js +2 -2
  154. package/lib/ir/ui/SpectraPanel.js.map +1 -1
  155. package/lib/ir/ui/SpectrumRow.d.ts +7 -0
  156. package/lib/ir/ui/SpectrumRow.d.ts.map +1 -1
  157. package/lib/ir/ui/SpectrumRow.js +4 -5
  158. package/lib/ir/ui/SpectrumRow.js.map +1 -1
  159. package/lib/ir/ui/VibrationalEditor.d.ts +62 -0
  160. package/lib/ir/ui/VibrationalEditor.d.ts.map +1 -0
  161. package/lib/ir/ui/VibrationalEditor.js +33 -0
  162. package/lib/ir/ui/VibrationalEditor.js.map +1 -0
  163. package/lib/ir/ui/bandsTsv.d.ts +19 -0
  164. package/lib/ir/ui/bandsTsv.d.ts.map +1 -0
  165. package/lib/ir/ui/bandsTsv.js +38 -0
  166. package/lib/ir/ui/bandsTsv.js.map +1 -0
  167. package/lib/ir/ui/index.d.ts +1 -0
  168. package/lib/ir/ui/index.d.ts.map +1 -1
  169. package/lib/ir/ui/index.js.map +1 -1
  170. package/lib/ir/ui/irActions.d.ts +3 -3
  171. package/lib/ir/ui/irActions.d.ts.map +1 -1
  172. package/lib/ir/ui/irChartProps.d.ts +21 -4
  173. package/lib/ir/ui/irChartProps.d.ts.map +1 -1
  174. package/lib/ir/ui/irChartProps.js +3 -2
  175. package/lib/ir/ui/irChartProps.js.map +1 -1
  176. package/lib/ir/ui/irCommandContext.d.ts +8 -0
  177. package/lib/ir/ui/irCommandContext.d.ts.map +1 -1
  178. package/lib/ir/ui/irCommandContext.js +14 -3
  179. package/lib/ir/ui/irCommandContext.js.map +1 -1
  180. package/lib/ir/ui/irHostPanels.d.ts +53 -0
  181. package/lib/ir/ui/irHostPanels.d.ts.map +1 -0
  182. package/lib/ir/ui/irHostPanels.js +41 -0
  183. package/lib/ir/ui/irHostPanels.js.map +1 -0
  184. package/lib/ir/ui/useIrEditor.d.ts +3 -3
  185. package/lib/ir/ui/useIrEditor.d.ts.map +1 -1
  186. package/lib/ir/ui/useIrEditor.js +13 -4
  187. package/lib/ir/ui/useIrEditor.js.map +1 -1
  188. package/lib/ir/ui/useIrHandle.d.ts +14 -0
  189. package/lib/ir/ui/useIrHandle.d.ts.map +1 -0
  190. package/lib/ir/ui/useIrHandle.js +39 -0
  191. package/lib/ir/ui/useIrHandle.js.map +1 -0
  192. package/lib/ir/ui/useIrSide.d.ts +27 -0
  193. package/lib/ir/ui/useIrSide.d.ts.map +1 -0
  194. package/lib/ir/ui/useIrSide.js +42 -0
  195. package/lib/ir/ui/useIrSide.js.map +1 -0
  196. package/lib/ir/ui/useIrText.d.ts +40 -0
  197. package/lib/ir/ui/useIrText.d.ts.map +1 -0
  198. package/lib/ir/ui/useIrText.js +118 -0
  199. package/lib/ir/ui/useIrText.js.map +1 -0
  200. package/lib/ir/ui/useIrZoom.d.ts +15 -0
  201. package/lib/ir/ui/useIrZoom.d.ts.map +1 -1
  202. package/lib/ir/ui/useIrZoom.js +6 -4
  203. package/lib/ir/ui/useIrZoom.js.map +1 -1
  204. package/lib/ir/ui/useValueAxisZoom.d.ts +20 -0
  205. package/lib/ir/ui/useValueAxisZoom.d.ts.map +1 -0
  206. package/lib/ir/ui/useValueAxisZoom.js +54 -0
  207. package/lib/ir/ui/useValueAxisZoom.js.map +1 -0
  208. package/lib/ir.d.ts +3 -0
  209. package/lib/ir.d.ts.map +1 -1
  210. package/lib/ir.js +3 -0
  211. package/lib/ir.js.map +1 -1
  212. package/lib/locales/de.json +29 -2
  213. package/lib/locales/en.json +29 -2
  214. package/lib/locales/es.json +29 -2
  215. package/lib/locales/fr.json +29 -2
  216. package/lib/locales/it.json +29 -2
  217. package/lib/molecule3d/core/animatedPng.d.ts +25 -0
  218. package/lib/molecule3d/core/animatedPng.d.ts.map +1 -0
  219. package/lib/molecule3d/core/animatedPng.js +59 -0
  220. package/lib/molecule3d/core/animatedPng.js.map +1 -0
  221. package/lib/molecule3d/core/file.d.ts +24 -0
  222. package/lib/molecule3d/core/file.d.ts.map +1 -0
  223. package/lib/molecule3d/core/file.js +2 -0
  224. package/lib/molecule3d/core/file.js.map +1 -0
  225. package/lib/molecule3d/core/index.d.ts +4 -1
  226. package/lib/molecule3d/core/index.d.ts.map +1 -1
  227. package/lib/molecule3d/core/index.js +1 -0
  228. package/lib/molecule3d/core/index.js.map +1 -1
  229. package/lib/molecule3d/core/settings.d.ts +0 -7
  230. package/lib/molecule3d/core/settings.d.ts.map +1 -1
  231. package/lib/molecule3d/core/settings.js.map +1 -1
  232. package/lib/molecule3d/ui/Molecule3DExport.d.ts +10 -2
  233. package/lib/molecule3d/ui/Molecule3DExport.d.ts.map +1 -1
  234. package/lib/molecule3d/ui/Molecule3DExport.js +15 -2
  235. package/lib/molecule3d/ui/Molecule3DExport.js.map +1 -1
  236. package/lib/molecule3d/ui/Molecule3DToolbar.js +9 -2
  237. package/lib/molecule3d/ui/Molecule3DToolbar.js.map +1 -1
  238. package/lib/molecule3d/ui/MoleculeCanvas3D.d.ts.map +1 -1
  239. package/lib/molecule3d/ui/MoleculeCanvas3D.js +23 -41
  240. package/lib/molecule3d/ui/MoleculeCanvas3D.js.map +1 -1
  241. package/lib/molecule3d/ui/drawScene.d.ts +2 -1
  242. package/lib/molecule3d/ui/drawScene.d.ts.map +1 -1
  243. package/lib/molecule3d/ui/drawScene.js.map +1 -1
  244. package/lib/molecule3d/ui/exportMoleculeImage.d.ts +15 -1
  245. package/lib/molecule3d/ui/exportMoleculeImage.d.ts.map +1 -1
  246. package/lib/molecule3d/ui/exportMoleculeImage.js +14 -2
  247. package/lib/molecule3d/ui/exportMoleculeImage.js.map +1 -1
  248. package/lib/molecule3d/ui/moleculeFrames.d.ts +47 -0
  249. package/lib/molecule3d/ui/moleculeFrames.d.ts.map +1 -0
  250. package/lib/molecule3d/ui/moleculeFrames.js +65 -0
  251. package/lib/molecule3d/ui/moleculeFrames.js.map +1 -0
  252. package/lib/molecule3d/ui/moleculeViewer3DProps.d.ts +14 -1
  253. package/lib/molecule3d/ui/moleculeViewer3DProps.d.ts.map +1 -1
  254. package/lib/molecule3d/ui/renderMolecule.d.ts +3 -3
  255. package/lib/molecule3d/ui/renderMolecule.d.ts.map +1 -1
  256. package/lib/molecule3d/ui/renderMolecule.js +2 -1
  257. package/lib/molecule3d/ui/renderMolecule.js.map +1 -1
  258. package/lib/molecule3d/ui/sceneDrawer.d.ts +2 -1
  259. package/lib/molecule3d/ui/sceneDrawer.d.ts.map +1 -1
  260. package/lib/molecule3d/ui/sceneDrawer.js +9 -1
  261. package/lib/molecule3d/ui/sceneDrawer.js.map +1 -1
  262. package/lib/molecule3d/ui/useImageExport.d.ts +8 -3
  263. package/lib/molecule3d/ui/useImageExport.d.ts.map +1 -1
  264. package/lib/molecule3d/ui/useImageExport.js +13 -4
  265. package/lib/molecule3d/ui/useImageExport.js.map +1 -1
  266. package/lib/molecule3d/ui/useMoleculeScene.d.ts +2 -1
  267. package/lib/molecule3d/ui/useMoleculeScene.d.ts.map +1 -1
  268. package/lib/molecule3d/ui/useMoleculeScene.js.map +1 -1
  269. package/lib/molecule3d/ui/useMoleculeViewer.d.ts +16 -0
  270. package/lib/molecule3d/ui/useMoleculeViewer.d.ts.map +1 -0
  271. package/lib/molecule3d/ui/useMoleculeViewer.js +37 -0
  272. package/lib/molecule3d/ui/useMoleculeViewer.js.map +1 -0
  273. package/lib/molecule3d/ui/usePolarSurfaceArea.d.ts +3 -3
  274. package/lib/molecule3d/ui/usePolarSurfaceArea.d.ts.map +1 -1
  275. package/lib/molecule3d/ui/usePolarSurfaceArea.js +4 -3
  276. package/lib/molecule3d/ui/usePolarSurfaceArea.js.map +1 -1
  277. package/lib/molecule3d/ui/viewer.d.ts +4 -1
  278. package/lib/molecule3d/ui/viewer.d.ts.map +1 -1
  279. package/lib/molecule3d/ui/viewer.js +21 -19
  280. package/lib/molecule3d/ui/viewer.js.map +1 -1
  281. package/lib/molecule3d/ui/viewerTypes.d.ts +6 -0
  282. package/lib/molecule3d/ui/viewerTypes.d.ts.map +1 -1
  283. package/lib/molstar/core/captureScene.d.ts +19 -1
  284. package/lib/molstar/core/captureScene.d.ts.map +1 -1
  285. package/lib/molstar/core/captureScene.js +57 -2
  286. package/lib/molstar/core/captureScene.js.map +1 -1
  287. package/lib/molstar/core/index.d.ts +5 -2
  288. package/lib/molstar/core/index.d.ts.map +1 -1
  289. package/lib/molstar/core/index.js +4 -2
  290. package/lib/molstar/core/index.js.map +1 -1
  291. package/lib/molstar/core/trajectory.d.ts +56 -0
  292. package/lib/molstar/core/trajectory.d.ts.map +1 -0
  293. package/lib/molstar/core/trajectory.js +96 -0
  294. package/lib/molstar/core/trajectory.js.map +1 -0
  295. package/lib/panel/ui/PanelRail.d.ts.map +1 -1
  296. package/lib/panel/ui/PanelRail.js +1 -1
  297. package/lib/panel/ui/PanelRail.js.map +1 -1
  298. package/lib/raman.d.ts +17 -0
  299. package/lib/raman.d.ts.map +1 -0
  300. package/lib/raman.js +12 -0
  301. package/lib/raman.js.map +1 -0
  302. package/lib/router/core/basePath.d.ts +2 -2
  303. package/lib/router/core/basePath.js +2 -2
  304. package/lib/router/core/siteAddresses.d.ts +1 -1
  305. package/lib/router/core/siteAddresses.js +1 -1
  306. package/lib/seo/core/siteFiles.js +1 -1
  307. package/lib/seo/core/siteFiles.js.map +1 -1
  308. package/lib/server/answerAddresses.d.ts +3 -3
  309. package/lib/server/answerAddresses.js +3 -3
  310. package/lib/structure/core/index.d.ts +2 -0
  311. package/lib/structure/core/index.d.ts.map +1 -1
  312. package/lib/structure/core/index.js +1 -0
  313. package/lib/structure/core/index.js.map +1 -1
  314. package/lib/structure/core/structureTransfer.d.ts +29 -0
  315. package/lib/structure/core/structureTransfer.d.ts.map +1 -0
  316. package/lib/structure/core/structureTransfer.js +26 -0
  317. package/lib/structure/core/structureTransfer.js.map +1 -0
  318. package/lib/structure/ui/EditorImportButton.d.ts +20 -0
  319. package/lib/structure/ui/EditorImportButton.d.ts.map +1 -0
  320. package/lib/structure/ui/EditorImportButton.js +24 -0
  321. package/lib/structure/ui/EditorImportButton.js.map +1 -0
  322. package/lib/structure/ui/EditorImportProblem.d.ts +17 -0
  323. package/lib/structure/ui/EditorImportProblem.d.ts.map +1 -0
  324. package/lib/structure/ui/EditorImportProblem.js +32 -0
  325. package/lib/structure/ui/EditorImportProblem.js.map +1 -0
  326. package/lib/structure/ui/StructureDrop.d.ts +39 -0
  327. package/lib/structure/ui/StructureDrop.d.ts.map +1 -0
  328. package/lib/structure/ui/StructureDrop.js +19 -0
  329. package/lib/structure/ui/StructureDrop.js.map +1 -0
  330. package/lib/structure/ui/StructureDropOverlay.d.ts +16 -0
  331. package/lib/structure/ui/StructureDropOverlay.d.ts.map +1 -0
  332. package/lib/structure/ui/StructureDropOverlay.js +29 -0
  333. package/lib/structure/ui/StructureDropOverlay.js.map +1 -0
  334. package/lib/structure/ui/StructureEditor.d.ts +3 -80
  335. package/lib/structure/ui/StructureEditor.d.ts.map +1 -1
  336. package/lib/structure/ui/StructureEditor.js +21 -33
  337. package/lib/structure/ui/StructureEditor.js.map +1 -1
  338. package/lib/structure/ui/importedStructure.d.ts +25 -0
  339. package/lib/structure/ui/importedStructure.d.ts.map +1 -0
  340. package/lib/structure/ui/importedStructure.js +74 -0
  341. package/lib/structure/ui/importedStructure.js.map +1 -0
  342. package/lib/structure/ui/index.d.ts +2 -0
  343. package/lib/structure/ui/index.d.ts.map +1 -1
  344. package/lib/structure/ui/index.js +1 -0
  345. package/lib/structure/ui/index.js.map +1 -1
  346. package/lib/structure/ui/structureEditorProps.d.ts +98 -0
  347. package/lib/structure/ui/structureEditorProps.d.ts.map +1 -0
  348. package/lib/structure/ui/structureEditorProps.js +2 -0
  349. package/lib/structure/ui/structureEditorProps.js.map +1 -0
  350. package/lib/structure/ui/useDebouncedChange.d.ts +16 -0
  351. package/lib/structure/ui/useDebouncedChange.d.ts.map +1 -0
  352. package/lib/structure/ui/useDebouncedChange.js +30 -0
  353. package/lib/structure/ui/useDebouncedChange.js.map +1 -0
  354. package/lib/structure/ui/useStructureDrop.d.ts +30 -0
  355. package/lib/structure/ui/useStructureDrop.d.ts.map +1 -0
  356. package/lib/structure/ui/useStructureDrop.js +49 -0
  357. package/lib/structure/ui/useStructureDrop.js.map +1 -0
  358. package/lib/structure/ui/useStructureImport.d.ts +45 -0
  359. package/lib/structure/ui/useStructureImport.d.ts.map +1 -0
  360. package/lib/structure/ui/useStructureImport.js +62 -0
  361. package/lib/structure/ui/useStructureImport.js.map +1 -0
  362. package/package.json +5 -1
  363. package/src/download/ui/FigureDownloadPanel.tsx +9 -2
  364. package/src/ecosystem/core/sites.ts +3 -3
  365. package/src/ecosystem/core/types.ts +1 -1
  366. package/src/ecosystem/ui/glyphs.tsx +1 -1
  367. package/src/i18n/core/messageCatalog.ts +2 -2
  368. package/src/i18n/vite/localeCatalog.ts +1 -1
  369. package/src/ir/core/analysisSpectra.ts +26 -10
  370. package/src/ir/core/bandLabelPlan.ts +21 -10
  371. package/src/ir/core/index.ts +31 -7
  372. package/src/ir/core/irBand.ts +52 -14
  373. package/src/ir/core/irCommands.ts +15 -1
  374. package/src/ir/core/irDomain.ts +9 -7
  375. package/src/ir/core/irEditorApi.ts +13 -0
  376. package/src/ir/core/irFormat.ts +39 -6
  377. package/src/ir/core/irMode.ts +42 -10
  378. package/src/ir/core/irReducer.ts +3 -51
  379. package/src/ir/core/irSidePanels.ts +8 -1
  380. package/src/ir/core/irSpectrum.ts +59 -30
  381. package/src/ir/core/irState.ts +73 -5
  382. package/src/ir/core/irTechnique.ts +115 -0
  383. package/src/ir/core/irTechniqueCommands.ts +82 -0
  384. package/src/ir/core/pickBands.ts +63 -28
  385. package/src/ir/core/ramanBands.ts +105 -0
  386. package/src/ir/core/spectrumJcamp.ts +65 -16
  387. package/src/ir/core/toIrSpectrum.ts +20 -2
  388. package/src/ir/ui/BandRow.tsx +107 -0
  389. package/src/ir/ui/BandsPanel.tsx +32 -125
  390. package/src/ir/ui/IrAboutDialog.tsx +69 -28
  391. package/src/ir/ui/IrCanvas.tsx +29 -3
  392. package/src/ir/ui/IrChart.tsx +31 -24
  393. package/src/ir/ui/IrCommandProvider.tsx +10 -3
  394. package/src/ir/ui/IrCommandTooltip.tsx +11 -2
  395. package/src/ir/ui/IrDocumentationDialog.tsx +99 -55
  396. package/src/ir/ui/IrEditor.tsx +27 -40
  397. package/src/ir/ui/IrHeader.tsx +10 -3
  398. package/src/ir/ui/IrLogo.tsx +28 -9
  399. package/src/ir/ui/IrShell.tsx +47 -96
  400. package/src/ir/ui/IrSidePanel.tsx +36 -10
  401. package/src/ir/ui/IrStatusBar.tsx +17 -12
  402. package/src/ir/ui/IrToolbar.tsx +26 -15
  403. package/src/ir/ui/IrTraces.tsx +5 -1
  404. package/src/ir/ui/RamanEditor.tsx +71 -0
  405. package/src/ir/ui/SpectraPanel.tsx +2 -1
  406. package/src/ir/ui/SpectrumRow.tsx +14 -5
  407. package/src/ir/ui/VibrationalEditor.tsx +113 -0
  408. package/src/ir/ui/bandsTsv.ts +46 -0
  409. package/src/ir/ui/index.ts +1 -0
  410. package/src/ir/ui/irActions.ts +3 -3
  411. package/src/ir/ui/irChartProps.ts +21 -4
  412. package/src/ir/ui/irCommandContext.tsx +18 -3
  413. package/src/ir/ui/irHostPanels.ts +76 -0
  414. package/src/ir/ui/useIrEditor.ts +20 -8
  415. package/src/ir/ui/useIrHandle.ts +51 -0
  416. package/src/ir/ui/useIrSide.ts +60 -0
  417. package/src/ir/ui/useIrText.ts +170 -0
  418. package/src/ir/ui/useIrZoom.ts +22 -3
  419. package/src/ir/ui/useValueAxisZoom.ts +67 -0
  420. package/src/ir.ts +3 -0
  421. package/src/locales/de.json +29 -2
  422. package/src/locales/en.json +29 -2
  423. package/src/locales/es.json +29 -2
  424. package/src/locales/fr.json +29 -2
  425. package/src/locales/it.json +29 -2
  426. package/src/molecule3d/core/animatedPng.ts +79 -0
  427. package/src/molecule3d/core/file.ts +23 -0
  428. package/src/molecule3d/core/index.ts +3 -1
  429. package/src/molecule3d/core/settings.ts +0 -8
  430. package/src/molecule3d/ui/Molecule3DExport.tsx +43 -5
  431. package/src/molecule3d/ui/Molecule3DToolbar.tsx +9 -2
  432. package/src/molecule3d/ui/MoleculeCanvas3D.tsx +24 -38
  433. package/src/molecule3d/ui/drawScene.ts +2 -1
  434. package/src/molecule3d/ui/exportMoleculeImage.ts +28 -3
  435. package/src/molecule3d/ui/moleculeFrames.ts +88 -0
  436. package/src/molecule3d/ui/moleculeViewer3DProps.ts +14 -5
  437. package/src/molecule3d/ui/renderMolecule.ts +5 -3
  438. package/src/molecule3d/ui/sceneDrawer.ts +14 -2
  439. package/src/molecule3d/ui/useImageExport.ts +22 -5
  440. package/src/molecule3d/ui/useMoleculeScene.ts +2 -1
  441. package/src/molecule3d/ui/useMoleculeViewer.ts +46 -0
  442. package/src/molecule3d/ui/usePolarSurfaceArea.ts +6 -4
  443. package/src/molecule3d/ui/viewer.ts +34 -27
  444. package/src/molecule3d/ui/viewerTypes.ts +6 -0
  445. package/src/molstar/core/captureScene.ts +85 -2
  446. package/src/molstar/core/index.ts +13 -2
  447. package/src/molstar/core/trajectory.ts +117 -0
  448. package/src/panel/ui/PanelRail.tsx +3 -0
  449. package/src/raman.ts +20 -0
  450. package/src/router/core/basePath.ts +2 -2
  451. package/src/router/core/siteAddresses.ts +1 -1
  452. package/src/seo/core/siteFiles.ts +1 -1
  453. package/src/server/answerAddresses.ts +3 -3
  454. package/src/structure/core/index.ts +8 -0
  455. package/src/structure/core/structureTransfer.ts +37 -0
  456. package/src/structure/ui/EditorImportButton.tsx +59 -0
  457. package/src/structure/ui/EditorImportProblem.tsx +63 -0
  458. package/src/structure/ui/StructureDrop.tsx +66 -0
  459. package/src/structure/ui/StructureDropOverlay.tsx +50 -0
  460. package/src/structure/ui/StructureEditor.tsx +49 -134
  461. package/src/structure/ui/importedStructure.ts +83 -0
  462. package/src/structure/ui/index.ts +2 -0
  463. package/src/structure/ui/structureEditorProps.ts +103 -0
  464. package/src/structure/ui/useDebouncedChange.ts +41 -0
  465. package/src/structure/ui/useStructureDrop.ts +76 -0
  466. package/src/structure/ui/useStructureImport.ts +122 -0
@@ -10,10 +10,18 @@ import type { FigurePixels } from '../../download/core/figureScale.ts';
10
10
  export interface Molecule3DExportProps {
11
11
  /** Reads the size of the canvas on screen, when the popover opens. */
12
12
  getSize: () => FigurePixels | null;
13
- /** Writes the file. */
14
- onExport: (format: FigureFormat, scale: number) => Promise<void>;
13
+ /**
14
+ * Writes the file: every frame, as an animated PNG, when `animated` is set.
15
+ */
16
+ onExport: (format: FigureFormat, scale: number, animated: boolean) => Promise<void>;
15
17
  /** Puts a PNG at that scale on the clipboard, and says what came of it. */
16
18
  onCopy: (scale: number) => Promise<FigureNotice>;
19
+ /**
20
+ * How many frames the scene holds. Above one, a PNG may hold them all, as an
21
+ * animation.
22
+ * @default 1
23
+ */
24
+ frameCount?: number;
17
25
  }
18
26
  /**
19
27
  * The export panel.
@@ -1 +1 @@
1
- {"version":3,"file":"Molecule3DExport.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/Molecule3DExport.tsx"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,OAAO,CAAC;AAG1C,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,mCAAmC,CAAC;AACtE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,uCAAuC,CAAC;AAC1E,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,oCAAoC,CAAC;AASvE,yCAAyC;AACzC,MAAM,WAAW,qBAAqB;IACpC,sEAAsE;IACtE,OAAO,EAAE,MAAM,YAAY,GAAG,IAAI,CAAC;IACnC,uBAAuB;IACvB,QAAQ,EAAE,CAAC,MAAM,EAAE,YAAY,EAAE,KAAK,EAAE,MAAM,KAAK,OAAO,CAAC,IAAI,CAAC,CAAC;IACjE,2EAA2E;IAC3E,MAAM,EAAE,CAAC,KAAK,EAAE,MAAM,KAAK,OAAO,CAAC,YAAY,CAAC,CAAC;CAClD;AAED;;;;GAIG;AACH,wBAAgB,gBAAgB,CAAC,KAAK,EAAE,qBAAqB,GAAG,YAAY,CAiC3E"}
1
+ {"version":3,"file":"Molecule3DExport.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/Molecule3DExport.tsx"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,OAAO,CAAC;AAG1C,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,mCAAmC,CAAC;AACtE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,uCAAuC,CAAC;AAC1E,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,oCAAoC,CAAC;AAUvE,yCAAyC;AACzC,MAAM,WAAW,qBAAqB;IACpC,sEAAsE;IACtE,OAAO,EAAE,MAAM,YAAY,GAAG,IAAI,CAAC;IACnC;;OAEG;IACH,QAAQ,EAAE,CACR,MAAM,EAAE,YAAY,EACpB,KAAK,EAAE,MAAM,EACb,QAAQ,EAAE,OAAO,KACd,OAAO,CAAC,IAAI,CAAC,CAAC;IACnB,2EAA2E;IAC3E,MAAM,EAAE,CAAC,KAAK,EAAE,MAAM,KAAK,OAAO,CAAC,YAAY,CAAC,CAAC;IACjD;;;;OAIG;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;CACrB;AAED;;;;GAIG;AACH,wBAAgB,gBAAgB,CAAC,KAAK,EAAE,qBAAqB,GAAG,YAAY,CAuD3E"}
@@ -4,17 +4,21 @@ import { DEFAULT_FIGURE_SCALE, FIGURE_SCALES, } from "../../download/core/figure
4
4
  import { FigureDownloadPanel } from "../../download/ui/FigureDownloadPanel.js";
5
5
  import { useFigureTask } from "../../download/ui/useFigureTask.js";
6
6
  import { useChromeT } from "../../i18n/ui/useT.js";
7
+ import { OverlaySegmented } from "../../overlay/ui/OverlaySegmented.js";
7
8
  /**
8
9
  * The export panel.
9
10
  * @param props - See {@link Molecule3DExportProps}.
10
11
  * @returns The panel.
11
12
  */
12
13
  export function Molecule3DExport(props) {
13
- const { getSize, onExport, onCopy } = props;
14
+ const { getSize, onExport, onCopy, frameCount = 1 } = props;
14
15
  const t = useChromeT();
15
16
  const [size] = useState(getSize);
16
17
  const [format, setFormat] = useState('png');
17
18
  const [scale, setScale] = useState(DEFAULT_FIGURE_SCALE);
19
+ const [frames, setFrames] = useState('all');
20
+ const offerFrames = frameCount > 1 && format === 'png';
21
+ const animated = offerFrames && frames === 'all';
18
22
  const { run, busy, failure, notice, clear } = useFigureTask();
19
23
  // What the last copy came to only describes the choices it was made with.
20
24
  function changed(apply) {
@@ -23,6 +27,15 @@ export function Molecule3DExport(props) {
23
27
  apply(value);
24
28
  };
25
29
  }
26
- return (_jsx(FigureDownloadPanel, { title: t('molecule3d.exportImage'), format: format, scale: scale, scales: FIGURE_SCALES, size: size, failure: failure, notice: notice, saving: busy, rasterSvg: true, onFormatChange: changed(setFormat), onScaleChange: changed(setScale), onSave: () => run(onExport(format, scale).then(() => null)), onCopy: () => run(onCopy(scale)) }));
30
+ return (_jsx(FigureDownloadPanel, { title: t('molecule3d.exportImage'), format: format, scale: scale, scales: FIGURE_SCALES, size: size, failure: failure, notice: notice, saving: busy, rasterSvg: true, onFormatChange: changed(setFormat), onScaleChange: changed(setScale), onSave: () => run(onExport(format, scale, animated).then(() => null)), onCopy: () => run(onCopy(scale)), children: offerFrames && (_jsx(OverlaySegmented, { label: t('molecule3d.frames'), help: {
31
+ title: t('molecule3d.frames'),
32
+ body: t('molecule3d.framesHelp'),
33
+ }, value: frames, options: [
34
+ { value: 'one', label: t('molecule3d.frames.one') },
35
+ {
36
+ value: 'all',
37
+ label: t('molecule3d.frames.all', { count: frameCount }),
38
+ },
39
+ ], onChange: changed(setFrames) })) }));
27
40
  }
28
41
  //# sourceMappingURL=Molecule3DExport.js.map
@@ -1 +1 @@
1
- {"version":3,"file":"Molecule3DExport.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/Molecule3DExport.tsx"],"names":[],"mappings":";AAMA,OAAO,EAAE,QAAQ,EAAE,MAAM,OAAO,CAAC;AAKjC,OAAO,EACL,oBAAoB,EACpB,aAAa,GACd,MAAM,oCAAoC,CAAC;AAC5C,OAAO,EAAE,mBAAmB,EAAE,MAAM,0CAA2C,CAAC;AAChF,OAAO,EAAE,aAAa,EAAE,MAAM,oCAAoC,CAAC;AACnE,OAAO,EAAE,UAAU,EAAE,MAAM,uBAAuB,CAAC;AAYnD;;;;GAIG;AACH,MAAM,UAAU,gBAAgB,CAAC,KAA4B;IAC3D,MAAM,EAAE,OAAO,EAAE,QAAQ,EAAE,MAAM,EAAE,GAAG,KAAK,CAAC;IAC5C,MAAM,CAAC,GAAG,UAAU,EAAE,CAAC;IACvB,MAAM,CAAC,IAAI,CAAC,GAAG,QAAQ,CAAC,OAAO,CAAC,CAAC;IACjC,MAAM,CAAC,MAAM,EAAE,SAAS,CAAC,GAAG,QAAQ,CAAe,KAAK,CAAC,CAAC;IAC1D,MAAM,CAAC,KAAK,EAAE,QAAQ,CAAC,GAAG,QAAQ,CAAC,oBAAoB,CAAC,CAAC;IACzD,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,OAAO,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,aAAa,EAAE,CAAC;IAE9D,0EAA0E;IAC1E,SAAS,OAAO,CAAI,KAAyB;QAC3C,OAAO,CAAC,KAAK,EAAE,EAAE;YACf,KAAK,EAAE,CAAC;YACR,KAAK,CAAC,KAAK,CAAC,CAAC;QACf,CAAC,CAAC;IACJ,CAAC;IAED,OAAO,CACL,KAAC,mBAAmB,IAClB,KAAK,EAAE,CAAC,CAAC,wBAAwB,CAAC,EAClC,MAAM,EAAE,MAAM,EACd,KAAK,EAAE,KAAK,EACZ,MAAM,EAAE,aAAa,EACrB,IAAI,EAAE,IAAI,EACV,OAAO,EAAE,OAAO,EAChB,MAAM,EAAE,MAAM,EACd,MAAM,EAAE,IAAI,EACZ,SAAS,QACT,cAAc,EAAE,OAAO,CAAC,SAAS,CAAC,EAClC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC,EAChC,MAAM,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,QAAQ,CAAC,MAAM,EAAE,KAAK,CAAC,CAAC,IAAI,CAAC,GAAG,EAAE,CAAC,IAAI,CAAC,CAAC,EAC3D,MAAM,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,GAChC,CACH,CAAC;AACJ,CAAC"}
1
+ {"version":3,"file":"Molecule3DExport.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/Molecule3DExport.tsx"],"names":[],"mappings":";AAMA,OAAO,EAAE,QAAQ,EAAE,MAAM,OAAO,CAAC;AAKjC,OAAO,EACL,oBAAoB,EACpB,aAAa,GACd,MAAM,oCAAoC,CAAC;AAC5C,OAAO,EAAE,mBAAmB,EAAE,MAAM,0CAA2C,CAAC;AAChF,OAAO,EAAE,aAAa,EAAE,MAAM,oCAAoC,CAAC;AACnE,OAAO,EAAE,UAAU,EAAE,MAAM,uBAAuB,CAAC;AACnD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAuC,CAAC;AAwBzE;;;;GAIG;AACH,MAAM,UAAU,gBAAgB,CAAC,KAA4B;IAC3D,MAAM,EAAE,OAAO,EAAE,QAAQ,EAAE,MAAM,EAAE,UAAU,GAAG,CAAC,EAAE,GAAG,KAAK,CAAC;IAC5D,MAAM,CAAC,GAAG,UAAU,EAAE,CAAC;IACvB,MAAM,CAAC,IAAI,CAAC,GAAG,QAAQ,CAAC,OAAO,CAAC,CAAC;IACjC,MAAM,CAAC,MAAM,EAAE,SAAS,CAAC,GAAG,QAAQ,CAAe,KAAK,CAAC,CAAC;IAC1D,MAAM,CAAC,KAAK,EAAE,QAAQ,CAAC,GAAG,QAAQ,CAAC,oBAAoB,CAAC,CAAC;IACzD,MAAM,CAAC,MAAM,EAAE,SAAS,CAAC,GAAG,QAAQ,CAAc,KAAK,CAAC,CAAC;IACzD,MAAM,WAAW,GAAG,UAAU,GAAG,CAAC,IAAI,MAAM,KAAK,KAAK,CAAC;IACvD,MAAM,QAAQ,GAAG,WAAW,IAAI,MAAM,KAAK,KAAK,CAAC;IACjD,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,OAAO,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,aAAa,EAAE,CAAC;IAE9D,0EAA0E;IAC1E,SAAS,OAAO,CAAI,KAAyB;QAC3C,OAAO,CAAC,KAAK,EAAE,EAAE;YACf,KAAK,EAAE,CAAC;YACR,KAAK,CAAC,KAAK,CAAC,CAAC;QACf,CAAC,CAAC;IACJ,CAAC;IAED,OAAO,CACL,KAAC,mBAAmB,IAClB,KAAK,EAAE,CAAC,CAAC,wBAAwB,CAAC,EAClC,MAAM,EAAE,MAAM,EACd,KAAK,EAAE,KAAK,EACZ,MAAM,EAAE,aAAa,EACrB,IAAI,EAAE,IAAI,EACV,OAAO,EAAE,OAAO,EAChB,MAAM,EAAE,MAAM,EACd,MAAM,EAAE,IAAI,EACZ,SAAS,QACT,cAAc,EAAE,OAAO,CAAC,SAAS,CAAC,EAClC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC,EAChC,MAAM,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,QAAQ,CAAC,MAAM,EAAE,KAAK,EAAE,QAAQ,CAAC,CAAC,IAAI,CAAC,GAAG,EAAE,CAAC,IAAI,CAAC,CAAC,EACrE,MAAM,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,YAE/B,WAAW,IAAI,CACd,KAAC,gBAAgB,IACf,KAAK,EAAE,CAAC,CAAC,mBAAmB,CAAC,EAC7B,IAAI,EAAE;gBACJ,KAAK,EAAE,CAAC,CAAC,mBAAmB,CAAC;gBAC7B,IAAI,EAAE,CAAC,CAAC,uBAAuB,CAAC;aACjC,EACD,KAAK,EAAE,MAAM,EACb,OAAO,EAAE;gBACP,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,CAAC,CAAC,uBAAuB,CAAC,EAAE;gBACnD;oBACE,KAAK,EAAE,KAAK;oBACZ,KAAK,EAAE,CAAC,CAAC,uBAAuB,EAAE,EAAE,KAAK,EAAE,UAAU,EAAE,CAAC;iBACzD;aACF,EACD,QAAQ,EAAE,OAAO,CAAC,SAAS,CAAC,GAC5B,CACH,GACmB,CACvB,CAAC;AACJ,CAAC"}
@@ -59,11 +59,18 @@ export function Molecule3DToolbar(props) {
59
59
  } }, kind))), _jsx(Toolbar.Item, { icon: _jsx(ClearMeasurementsIcon, {}), disabled: measurementCount === 0, "aria-label": t('molecule3d.clearMeasurements'), tooltip: t('molecule3d.clearMeasurements'), tooltipProps: TOOLTIP_PROPS, onClick: onClearMeasurements })] }) }))] }));
60
60
  }
61
61
  const TOOLTIP_PROPS = { placement: 'right' };
62
+ // A canvas too short for both cards puts the second one beside the first,
63
+ // rather than cutting it off; the column itself lets clicks through to the
64
+ // canvas between and below the cards.
62
65
  const COLUMN_STYLE = {
63
66
  display: 'flex',
64
67
  flexDirection: 'column',
68
+ flexWrap: 'wrap',
69
+ alignContent: 'flex-start',
70
+ alignItems: 'flex-start',
65
71
  gap: 6,
66
- pointerEvents: 'auto',
72
+ height: '100%',
73
+ pointerEvents: 'none',
67
74
  };
68
- const CARD_STYLE = { padding: 0 };
75
+ const CARD_STYLE = { padding: 0, pointerEvents: 'auto' };
69
76
  //# sourceMappingURL=Molecule3DToolbar.js.map
@@ -1 +1 @@
1
- {"version":3,"file":"Molecule3DToolbar.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/Molecule3DToolbar.tsx"],"names":[],"mappings":";AAAA;;;;;GAKG;AAEH,OAAO,EAAE,IAAI,EAAE,MAAM,mBAAmB,CAAC;AAEzC,OAAO,EAAE,OAAO,EAAE,MAAM,kBAAkB,CAAC;AAE3C,OAAO,EAAE,UAAU,EAAE,MAAM,uBAAuB,CAAC;AAEnD,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,GACnB,MAAM,wBAAwB,CAAC;AAEhC,OAAO,EAAE,sBAAsB,EAAE,MAAM,qBAAqB,CAAC;AAE7D,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAsB,CAAC;AACtD,OAAO,EACL,qBAAqB,EACrB,WAAW,EACX,WAAW,GACZ,MAAM,sBAAuB,CAAC;AAoC/B;;;;GAIG;AACH,MAAM,UAAU,iBAAiB,CAAC,KAA6B;IAC7D,MAAM,EACJ,KAAK,EAAE,SAAS,EAChB,WAAW,EACX,mBAAmB,EACnB,gBAAgB,EAChB,mBAAmB,EACnB,QAAQ,EACR,gBAAgB,EAChB,WAAW,EACX,mBAAmB,EACnB,WAAW,EACX,OAAO,EACP,WAAW,EACX,UAAU,GACX,GAAG,KAAK,CAAC;IACV,MAAM,CAAC,GAAG,UAAU,EAAE,CAAC;IACvB,MAAM,KAAK,GAAG,sBAAsB,CAAC,SAAS,CAAC,CAAC;IAChD,MAAM,WAAW,GAAG,KAAK,CAAC,OAAO,IAAI,OAAO,KAAK,SAAS,CAAC;IAC3D,MAAM,eAAe,GAAG,KAAK,CAAC,OAAO,IAAI,mBAAmB,KAAK,SAAS,CAAC;IAC3E,MAAM,UAAU,GAAG,KAAK,CAAC,MAAM,IAAI,WAAW,KAAK,SAAS,CAAC;IAC7D,MAAM,cAAc,GAAG,KAAK,CAAC,UAAU,IAAI,UAAU,KAAK,SAAS,CAAC;IACpE,MAAM,OAAO,GACX,KAAK,CAAC,IAAI;QACV,KAAK,CAAC,OAAO;QACb,KAAK,CAAC,KAAK;QACX,WAAW;QACX,UAAU;QACV,cAAc;QACd,KAAK,CAAC,IAAI,CAAC;IAEb,OAAO,CACL,eAAK,SAAS,EAAC,UAAU,EAAC,KAAK,EAAE,YAAY,aAC1C,OAAO,IAAI,CACV,KAAC,IAAI,IAAC,SAAS,EAAE,CAAC,EAAE,KAAK,EAAE,UAAU,YACnC,MAAC,OAAO,IAAC,QAAQ,sBAAa,CAAC,CAAC,iBAAiB,CAAC,aAC/C,KAAK,CAAC,KAAK,IAAI,CACd,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAC,aAAa,gBACN,CAAC,CAAC,sBAAsB,CAAC,EACrC,OAAO,EAAE,CAAC,CAAC,sBAAsB,CAAC,EAClC,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,WAAW,GACpB,CACH,EACA,KAAK,CAAC,IAAI,IAAI,CACb,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAC,SAAS,EACd,MAAM,EAAE,QAAQ,gBACJ,CAAC,CAAC,iBAAiB,CAAC,EAChC,OAAO,EAAE,CAAC,CAAC,iBAAiB,CAAC,EAC7B,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,GAAG,EAAE;gCACZ,gBAAgB,CAAC,CAAC,QAAQ,CAAC,CAAC;4BAC9B,CAAC,GACD,CACH,EACA,eAAe,IAAI,CAClB,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAE,KAAC,WAAW,KAAG,EACrB,MAAM,EAAE,WAAW,IAAI,KAAK,gBAChB,CAAC,CAAC,oBAAoB,CAAC,EACnC,OAAO,EAAE,CAAC,CAAC,6BAA6B,CAAC,EACzC,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,GAAG,EAAE;gCACZ,mBAAmB,CAAC,WAAW,KAAK,IAAI,CAAC,CAAC;4BAC5C,CAAC,GACD,CACH,EACA,WAAW,IAAI,CACd,KAAC,OAAO,CAAC,WAAW,IAClB,SAAS,EAAC,aAAa,EACvB,OAAO,EAAE,OAAO,EAChB,SAAS,EAAE;gCACT,IAAI,EAAE,KAAK;gCACX,YAAY,EAAE,CAAC,CAAC,2BAA2B,CAAC;gCAC5C,OAAO,EAAE,CAAC,CAAC,2BAA2B,CAAC;gCACvC,YAAY,EAAE,aAAa;6BAC5B,GACD,CACH,EACA,UAAU,IAAI,CACb,KAAC,OAAO,CAAC,WAAW,IAClB,SAAS,EAAC,aAAa,EACvB,OAAO,EAAE,WAAW,EACpB,SAAS,EAAE;gCACT,IAAI,EAAE,UAAU;gCAChB,YAAY,EAAE,CAAC,CAAC,wBAAwB,CAAC;gCACzC,OAAO,EAAE,CAAC,CAAC,wBAAwB,CAAC;gCACpC,YAAY,EAAE,aAAa;6BAC5B,GACD,CACH,EACA,cAAc,IAAI,CACjB,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAE,UAAU,CAAC,MAAM,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,YAAY,EACnD,MAAM,EAAE,UAAU,CAAC,MAAM,gBACb,CAAC,CAAC,uBAAuB,CAAC,EACtC,OAAO,EAAE,CAAC,CAAC,uBAAuB,CAAC,EACnC,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,UAAU,CAAC,MAAM,GAC1B,CACH,EACA,KAAK,CAAC,IAAI,IAAI,CACb,KAAC,OAAO,CAAC,WAAW,IAClB,SAAS,EAAC,aAAa,EACvB,OAAO,EAAE,KAAC,cAAc,KAAG,EAC3B,SAAS,EAAE;gCACT,IAAI,EAAE,MAAM;gCACZ,YAAY,EAAE,CAAC,CAAC,4BAA4B,CAAC;gCAC7C,OAAO,EAAE,CAAC,CAAC,4BAA4B,CAAC;gCACxC,YAAY,EAAE,aAAa;6BAC5B,GACD,CACH,IACO,GACL,CACR,EACA,KAAK,CAAC,OAAO,IAAI,CAChB,KAAC,IAAI,IAAC,SAAS,EAAE,CAAC,EAAE,KAAK,EAAE,UAAU,YACnC,MAAC,OAAO,IAAC,QAAQ,sBAAa,CAAC,CAAC,oBAAoB,CAAC,aAClD,iBAAiB,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,CAC/B,KAAC,OAAO,CAAC,IAAI,IAEX,IAAI,EAAE,KAAC,WAAW,IAAC,IAAI,EAAE,IAAI,GAAI,EACjC,MAAM,EAAE,WAAW,KAAK,IAAI,gBAChB,CAAC,CAAC,EAAE,CACd,0BAA0B,IAAI,EAAE,EAChC,kBAAkB,CAAC,IAAI,CAAC,CACzB,EACD,OAAO,EAAE,CAAC,CAAC,+BAA+B,EAAE;gCAC1C,IAAI,EAAE,CAAC,CAAC,EAAE,CACR,0BAA0B,IAAI,EAAE,EAChC,kBAAkB,CAAC,IAAI,CAAC,CACzB;gCACD,KAAK,EAAE,uBAAuB,CAAC,IAAI,CAAC;6BACrC,CAAC,EACF,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,GAAG,EAAE;gCACZ,mBAAmB,CAAC,WAAW,KAAK,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;4BAC1D,CAAC,IAjBI,IAAI,CAkBT,CACH,CAAC,EACF,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAE,KAAC,qBAAqB,KAAG,EAC/B,QAAQ,EAAE,gBAAgB,KAAK,CAAC,gBACpB,CAAC,CAAC,8BAA8B,CAAC,EAC7C,OAAO,EAAE,CAAC,CAAC,8BAA8B,CAAC,EAC1C,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,mBAAmB,GAC5B,IACM,GACL,CACR,IACG,CACP,CAAC;AACJ,CAAC;AAED,MAAM,aAAa,GAAG,EAAE,SAAS,EAAE,OAAO,EAAW,CAAC;AAEtD,MAAM,YAAY,GAAkB;IAClC,OAAO,EAAE,MAAM;IACf,aAAa,EAAE,QAAQ;IACvB,GAAG,EAAE,CAAC;IACN,aAAa,EAAE,MAAM;CACtB,CAAC;AAEF,MAAM,UAAU,GAAkB,EAAE,OAAO,EAAE,CAAC,EAAE,CAAC"}
1
+ {"version":3,"file":"Molecule3DToolbar.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/Molecule3DToolbar.tsx"],"names":[],"mappings":";AAAA;;;;;GAKG;AAEH,OAAO,EAAE,IAAI,EAAE,MAAM,mBAAmB,CAAC;AAEzC,OAAO,EAAE,OAAO,EAAE,MAAM,kBAAkB,CAAC;AAE3C,OAAO,EAAE,UAAU,EAAE,MAAM,uBAAuB,CAAC;AAEnD,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,GACnB,MAAM,wBAAwB,CAAC;AAEhC,OAAO,EAAE,sBAAsB,EAAE,MAAM,qBAAqB,CAAC;AAE7D,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAsB,CAAC;AACtD,OAAO,EACL,qBAAqB,EACrB,WAAW,EACX,WAAW,GACZ,MAAM,sBAAuB,CAAC;AAoC/B;;;;GAIG;AACH,MAAM,UAAU,iBAAiB,CAAC,KAA6B;IAC7D,MAAM,EACJ,KAAK,EAAE,SAAS,EAChB,WAAW,EACX,mBAAmB,EACnB,gBAAgB,EAChB,mBAAmB,EACnB,QAAQ,EACR,gBAAgB,EAChB,WAAW,EACX,mBAAmB,EACnB,WAAW,EACX,OAAO,EACP,WAAW,EACX,UAAU,GACX,GAAG,KAAK,CAAC;IACV,MAAM,CAAC,GAAG,UAAU,EAAE,CAAC;IACvB,MAAM,KAAK,GAAG,sBAAsB,CAAC,SAAS,CAAC,CAAC;IAChD,MAAM,WAAW,GAAG,KAAK,CAAC,OAAO,IAAI,OAAO,KAAK,SAAS,CAAC;IAC3D,MAAM,eAAe,GAAG,KAAK,CAAC,OAAO,IAAI,mBAAmB,KAAK,SAAS,CAAC;IAC3E,MAAM,UAAU,GAAG,KAAK,CAAC,MAAM,IAAI,WAAW,KAAK,SAAS,CAAC;IAC7D,MAAM,cAAc,GAAG,KAAK,CAAC,UAAU,IAAI,UAAU,KAAK,SAAS,CAAC;IACpE,MAAM,OAAO,GACX,KAAK,CAAC,IAAI;QACV,KAAK,CAAC,OAAO;QACb,KAAK,CAAC,KAAK;QACX,WAAW;QACX,UAAU;QACV,cAAc;QACd,KAAK,CAAC,IAAI,CAAC;IAEb,OAAO,CACL,eAAK,SAAS,EAAC,UAAU,EAAC,KAAK,EAAE,YAAY,aAC1C,OAAO,IAAI,CACV,KAAC,IAAI,IAAC,SAAS,EAAE,CAAC,EAAE,KAAK,EAAE,UAAU,YACnC,MAAC,OAAO,IAAC,QAAQ,sBAAa,CAAC,CAAC,iBAAiB,CAAC,aAC/C,KAAK,CAAC,KAAK,IAAI,CACd,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAC,aAAa,gBACN,CAAC,CAAC,sBAAsB,CAAC,EACrC,OAAO,EAAE,CAAC,CAAC,sBAAsB,CAAC,EAClC,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,WAAW,GACpB,CACH,EACA,KAAK,CAAC,IAAI,IAAI,CACb,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAC,SAAS,EACd,MAAM,EAAE,QAAQ,gBACJ,CAAC,CAAC,iBAAiB,CAAC,EAChC,OAAO,EAAE,CAAC,CAAC,iBAAiB,CAAC,EAC7B,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,GAAG,EAAE;gCACZ,gBAAgB,CAAC,CAAC,QAAQ,CAAC,CAAC;4BAC9B,CAAC,GACD,CACH,EACA,eAAe,IAAI,CAClB,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAE,KAAC,WAAW,KAAG,EACrB,MAAM,EAAE,WAAW,IAAI,KAAK,gBAChB,CAAC,CAAC,oBAAoB,CAAC,EACnC,OAAO,EAAE,CAAC,CAAC,6BAA6B,CAAC,EACzC,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,GAAG,EAAE;gCACZ,mBAAmB,CAAC,WAAW,KAAK,IAAI,CAAC,CAAC;4BAC5C,CAAC,GACD,CACH,EACA,WAAW,IAAI,CACd,KAAC,OAAO,CAAC,WAAW,IAClB,SAAS,EAAC,aAAa,EACvB,OAAO,EAAE,OAAO,EAChB,SAAS,EAAE;gCACT,IAAI,EAAE,KAAK;gCACX,YAAY,EAAE,CAAC,CAAC,2BAA2B,CAAC;gCAC5C,OAAO,EAAE,CAAC,CAAC,2BAA2B,CAAC;gCACvC,YAAY,EAAE,aAAa;6BAC5B,GACD,CACH,EACA,UAAU,IAAI,CACb,KAAC,OAAO,CAAC,WAAW,IAClB,SAAS,EAAC,aAAa,EACvB,OAAO,EAAE,WAAW,EACpB,SAAS,EAAE;gCACT,IAAI,EAAE,UAAU;gCAChB,YAAY,EAAE,CAAC,CAAC,wBAAwB,CAAC;gCACzC,OAAO,EAAE,CAAC,CAAC,wBAAwB,CAAC;gCACpC,YAAY,EAAE,aAAa;6BAC5B,GACD,CACH,EACA,cAAc,IAAI,CACjB,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAE,UAAU,CAAC,MAAM,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,YAAY,EACnD,MAAM,EAAE,UAAU,CAAC,MAAM,gBACb,CAAC,CAAC,uBAAuB,CAAC,EACtC,OAAO,EAAE,CAAC,CAAC,uBAAuB,CAAC,EACnC,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,UAAU,CAAC,MAAM,GAC1B,CACH,EACA,KAAK,CAAC,IAAI,IAAI,CACb,KAAC,OAAO,CAAC,WAAW,IAClB,SAAS,EAAC,aAAa,EACvB,OAAO,EAAE,KAAC,cAAc,KAAG,EAC3B,SAAS,EAAE;gCACT,IAAI,EAAE,MAAM;gCACZ,YAAY,EAAE,CAAC,CAAC,4BAA4B,CAAC;gCAC7C,OAAO,EAAE,CAAC,CAAC,4BAA4B,CAAC;gCACxC,YAAY,EAAE,aAAa;6BAC5B,GACD,CACH,IACO,GACL,CACR,EACA,KAAK,CAAC,OAAO,IAAI,CAChB,KAAC,IAAI,IAAC,SAAS,EAAE,CAAC,EAAE,KAAK,EAAE,UAAU,YACnC,MAAC,OAAO,IAAC,QAAQ,sBAAa,CAAC,CAAC,oBAAoB,CAAC,aAClD,iBAAiB,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,CAC/B,KAAC,OAAO,CAAC,IAAI,IAEX,IAAI,EAAE,KAAC,WAAW,IAAC,IAAI,EAAE,IAAI,GAAI,EACjC,MAAM,EAAE,WAAW,KAAK,IAAI,gBAChB,CAAC,CAAC,EAAE,CACd,0BAA0B,IAAI,EAAE,EAChC,kBAAkB,CAAC,IAAI,CAAC,CACzB,EACD,OAAO,EAAE,CAAC,CAAC,+BAA+B,EAAE;gCAC1C,IAAI,EAAE,CAAC,CAAC,EAAE,CACR,0BAA0B,IAAI,EAAE,EAChC,kBAAkB,CAAC,IAAI,CAAC,CACzB;gCACD,KAAK,EAAE,uBAAuB,CAAC,IAAI,CAAC;6BACrC,CAAC,EACF,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,GAAG,EAAE;gCACZ,mBAAmB,CAAC,WAAW,KAAK,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;4BAC1D,CAAC,IAjBI,IAAI,CAkBT,CACH,CAAC,EACF,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAE,KAAC,qBAAqB,KAAG,EAC/B,QAAQ,EAAE,gBAAgB,KAAK,CAAC,gBACpB,CAAC,CAAC,8BAA8B,CAAC,EAC7C,OAAO,EAAE,CAAC,CAAC,8BAA8B,CAAC,EAC1C,YAAY,EAAE,aAAa,EAC3B,OAAO,EAAE,mBAAmB,GAC5B,IACM,GACL,CACR,IACG,CACP,CAAC;AACJ,CAAC;AAED,MAAM,aAAa,GAAG,EAAE,SAAS,EAAE,OAAO,EAAW,CAAC;AAEtD,0EAA0E;AAC1E,2EAA2E;AAC3E,sCAAsC;AACtC,MAAM,YAAY,GAAkB;IAClC,OAAO,EAAE,MAAM;IACf,aAAa,EAAE,QAAQ;IACvB,QAAQ,EAAE,MAAM;IAChB,YAAY,EAAE,YAAY;IAC1B,UAAU,EAAE,YAAY;IACxB,GAAG,EAAE,CAAC;IACN,MAAM,EAAE,MAAM;IACd,aAAa,EAAE,MAAM;CACtB,CAAC;AAEF,MAAM,UAAU,GAAkB,EAAE,OAAO,EAAE,CAAC,EAAE,aAAa,EAAE,MAAM,EAAE,CAAC"}
@@ -1 +1 @@
1
- {"version":3,"file":"MoleculeCanvas3D.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/MoleculeCanvas3D.tsx"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAiBzD,OAAO,KAAK,EAAE,qBAAqB,EAAE,MAAM,4BAA4B,CAAC;AAOxE,yCAAyC;AACzC,MAAM,WAAW,qBAAsB,SAAQ,IAAI,CACjD,qBAAqB,EACrB,UAAU,GAAG,mBAAmB,CACjC;IACC,2EAA2E;IAC3E,eAAe,EAAE,CAAC,OAAO,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CACnD;AAED;;;;GAIG;AACH,wBAAgB,gBAAgB,CAAC,KAAK,EAAE,qBAAqB,GAAG,YAAY,CAuK3E"}
1
+ {"version":3,"file":"MoleculeCanvas3D.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/MoleculeCanvas3D.tsx"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAiBzD,OAAO,KAAK,EAAE,qBAAqB,EAAE,MAAM,4BAA4B,CAAC;AAOxE,yCAAyC;AACzC,MAAM,WAAW,qBAAsB,SAAQ,IAAI,CACjD,qBAAqB,EACrB,UAAU,GAAG,mBAAmB,CACjC;IACC,2EAA2E;IAC3E,eAAe,EAAE,CAAC,OAAO,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CACnD;AAED;;;;GAIG;AACH,wBAAgB,gBAAgB,CAAC,KAAK,EAAE,qBAAqB,GAAG,YAAY,CAwJ3E"}
@@ -1,16 +1,17 @@
1
1
  import { jsx as _jsx, Fragment as _Fragment, jsxs as _jsxs } from "react/jsx-runtime";
2
2
  import { useEffect, useRef, useState } from 'react';
3
3
  import { DEFAULT_SPIN_SPEED } from "../../molstar/core/index.js";
4
+ import { DEFAULT_FRAMES_PER_SECOND } from "../core/animatedPng.js";
4
5
  import { normalizeMolecule3DSettings, resolveMolecule3DTools, } from "../core/settings.js";
5
6
  import { Molecule3DExport } from "./Molecule3DExport.js";
6
7
  import { Molecule3DOptions } from "./Molecule3DOptions.js";
7
8
  import { Molecule3DStage } from "./Molecule3DStage.js";
8
9
  import { Molecule3DToolbar } from "./Molecule3DToolbar.js";
9
- import { createMolecule3DViewer } from "./createViewer.js";
10
10
  import { highlightColorOf } from "./highlightColor.js";
11
11
  import { useControlledState } from "./useControlledState.js";
12
12
  import { useImageExport } from "./useImageExport.js";
13
13
  import { useMoleculeScene } from "./useMoleculeScene.js";
14
+ import { useMoleculeViewer } from "./useMoleculeViewer.js";
14
15
  import { usePolarSurfaceArea } from "./usePolarSurfaceArea.js";
15
16
  /**
16
17
  * Mount one molstar canvas and keep it showing what the props describe.
@@ -18,64 +19,44 @@ import { usePolarSurfaceArea } from "./usePolarSurfaceArea.js";
18
19
  * @returns The canvas with its toolbars.
19
20
  */
20
21
  export function MoleculeCanvas3D(props) {
21
- const { molfile, frameNewMolecule = 'keep', tools: toolsProp, settings: settingsProp, defaultSettings, onSettingsChange, spinning: spinningProp, defaultSpinning = false, onSpinningChange, spinSpeed = DEFAULT_SPIN_SPEED, measurements: measurementsProp, onMeasurementsChange, highlights = NO_HIGHLIGHTS, fileName = 'molecule', background, minHeight = 320, onFailureChange, } = props;
22
+ const { molfile, frameNewMolecule = 'keep', tools: toolsProp, settings: settingsProp, defaultSettings, onSettingsChange, spinning: spinningProp, defaultSpinning = false, onSpinningChange, spinSpeed = DEFAULT_SPIN_SPEED, playing = false, framesPerSecond = DEFAULT_FRAMES_PER_SECOND, measurements: measurementsProp, onMeasurementsChange, highlights = NO_HIGHLIGHTS, fileName = 'molecule', background, minHeight = 320, onFailureChange, } = props;
22
23
  const tools = resolveMolecule3DTools(toolsProp);
23
24
  const [initialSettings] = useState(() => normalizeMolecule3DSettings(defaultSettings));
24
25
  const [settings, setSettings] = useControlledState(settingsProp, initialSettings, onSettingsChange);
25
26
  const [spinning, setSpinning] = useControlledState(spinningProp, defaultSpinning, onSpinningChange);
26
27
  const [measurements, setMeasurements] = useControlledState(measurementsProp, NO_MEASUREMENTS, onMeasurementsChange);
27
28
  const [measureKind, setMeasureKind] = useState(null);
29
+ const [frameCount, setFrameCount] = useState(0);
28
30
  const polarSurfaceArea = usePolarSurfaceArea(molfile, settings.surfaceColoring === 'polarity');
29
31
  // A callback ref: the element arriving is what creates the viewer, and every
30
32
  // effect keyed on it runs again, in order, after the viewer exists.
31
33
  const [container, setContainer] = useState(null);
32
- const viewerRef = useRef(null);
33
34
  // The viewer is created once, so what its callbacks read is kept fresh here.
34
- const latest = useRef({
35
- measurements,
36
- setMeasurements,
37
- onFailureChange,
38
- background,
39
- });
35
+ const latest = useRef({ measurements, setMeasurements });
40
36
  useEffect(() => {
41
- latest.current = {
42
- measurements,
43
- setMeasurements,
44
- onFailureChange,
45
- background,
46
- };
37
+ latest.current = { measurements, setMeasurements };
38
+ });
39
+ const viewerRef = useMoleculeViewer(container, {
40
+ background,
41
+ onMeasure: (measurement) => {
42
+ const current = latest.current;
43
+ current.setMeasurements([...current.measurements, measurement]);
44
+ },
45
+ onFrameCountChange: setFrameCount,
47
46
  });
48
- useEffect(() => {
49
- if (container === null)
50
- return;
51
- const viewer = createMolecule3DViewer(container, {
52
- background: latest.current.background,
53
- onMeasure: (measurement) => {
54
- const current = latest.current;
55
- current.setMeasurements([...current.measurements, measurement]);
56
- },
57
- });
58
- viewerRef.current = viewer;
59
- const observer = new ResizeObserver(() => {
60
- viewer.handleResize();
61
- });
62
- observer.observe(container);
63
- return () => {
64
- observer.disconnect();
65
- viewerRef.current = null;
66
- viewer.dispose();
67
- };
68
- }, [container]);
69
47
  useEffect(() => {
70
48
  void viewerRef.current?.setSpin(spinning, spinSpeed);
71
- }, [container, spinning, spinSpeed]);
49
+ }, [container, viewerRef, spinning, spinSpeed]);
50
+ useEffect(() => {
51
+ void viewerRef.current?.frames.play(playing, framesPerSecond);
52
+ }, [container, viewerRef, playing, framesPerSecond]);
72
53
  useEffect(() => {
73
54
  void viewerRef.current?.setMeasureKind(measureKind);
74
- }, [container, measureKind]);
55
+ }, [container, viewerRef, measureKind]);
75
56
  // Kept out of the scene: a new highlight repaints the model, never redraws it.
76
57
  useEffect(() => {
77
58
  void viewerRef.current?.setHighlights(highlights, highlightColorOf(container));
78
- }, [container, highlights]);
59
+ }, [container, viewerRef, highlights]);
79
60
  const { resetView } = useMoleculeScene({
80
61
  container,
81
62
  viewerRef,
@@ -87,12 +68,12 @@ export function MoleculeCanvas3D(props) {
87
68
  onFailureChange,
88
69
  camera: props,
89
70
  });
90
- const { canvasSize, exportImage, copyImage } = useImageExport(container, viewerRef, fileName);
71
+ const { canvasSize, exportImage, copyImage } = useImageExport(container, viewerRef, fileName, framesPerSecond);
91
72
  return (_jsx(Molecule3DStage, { style: { ...STAGE_STYLE, minHeight }, children: (fullscreen) => (_jsxs(_Fragment, { children: [_jsx("div", { ref: setContainer, style: CANVAS_STYLE, "data-testid": "molecule3d" }), molfile !== null && (_jsx("div", { style: OVERLAY_STYLE, children: _jsx(Molecule3DToolbar, { tools: tools, fullscreen: fullscreen, measureKind: measureKind, onMeasureKindChange: setMeasureKind, measurementCount: measurements.length, onClearMeasurements: () => {
92
73
  setMeasurements(NO_MEASUREMENTS);
93
74
  }, spinning: spinning, onSpinningChange: setSpinning, showSurface: settings.showSurface, onShowSurfaceChange: (showSurface) => {
94
75
  setSettings({ ...settings, showSurface });
95
- }, onResetView: resetView, options: _jsx(Molecule3DOptions, { settings: settings, onChange: setSettings, polarSurfaceArea: polarSurfaceArea, defaults: initialSettings }), exportPanel: _jsx(Molecule3DExport, { getSize: canvasSize, onExport: exportImage, onCopy: copyImage }) }) }))] })) }));
76
+ }, onResetView: resetView, options: _jsx(Molecule3DOptions, { settings: settings, onChange: setSettings, polarSurfaceArea: polarSurfaceArea, defaults: initialSettings }), exportPanel: _jsx(Molecule3DExport, { getSize: canvasSize, onExport: exportImage, onCopy: copyImage, frameCount: frameCount }) }) }))] })) }));
96
77
  }
97
78
  const NO_MEASUREMENTS = [];
98
79
  const NO_HIGHLIGHTS = [];
@@ -108,6 +89,7 @@ const CANVAS_STYLE = { position: 'absolute', inset: 0 };
108
89
  const OVERLAY_STYLE = {
109
90
  position: 'absolute',
110
91
  top: 8,
92
+ bottom: 8,
111
93
  left: 8,
112
94
  zIndex: 2,
113
95
  display: 'flex',
@@ -1 +1 @@
1
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1
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@@ -1,5 +1,6 @@
1
+ import type { Molecule3DFile } from '../core/file.ts';
1
2
  import type { Measurement } from '../core/measurement.ts';
2
- import type { Molecule3DFile, Molecule3DSettings } from '../core/settings.ts';
3
+ import type { Molecule3DSettings } from '../core/settings.ts';
3
4
  import type { Molecule3DViewer } from './viewer.ts';
4
5
  /** The operations of the viewer a scene is drawn with. */
5
6
  export type SceneViewer = Pick<Molecule3DViewer, 'showMolecule' | 'hideMolecule' | 'showSurface' | 'showMeasurements' | 'resetCamera' | 'setCamera'>;
@@ -1 +1 @@
1
- {"version":3,"file":"drawScene.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/drawScene.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAC1D,OAAO,KAAK,EAAE,cAAc,EAAE,kBAAkB,EAAE,MAAM,qBAAqB,CAAC;AAG9E,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,aAAa,CAAC;AAEpD,0DAA0D;AAC1D,MAAM,MAAM,WAAW,GAAG,IAAI,CAC5B,gBAAgB,EACd,cAAc,GACd,cAAc,GACd,aAAa,GACb,kBAAkB,GAClB,aAAa,GACb,WAAW,CACd,CAAC;AAEF;;;;;;;;;;;GAWG;AACH,wBAAsB,SAAS,CAC7B,MAAM,EAAE,WAAW,EACnB,OAAO,EAAE,cAAc,GAAG,IAAI,EAC9B,QAAQ,EAAE,kBAAkB,EAC5B,YAAY,EAAE,SAAS,WAAW,EAAE,EACpC,WAAW,EAAE,MAAM,GAAG,MAAM,GAAG,OAAO,GACrC,OAAO,CAAC,IAAI,CAAC,CAqBf"}
1
+ {"version":3,"file":"drawScene.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/drawScene.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,iBAAiB,CAAC;AACtD,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAC1D,OAAO,KAAK,EAAE,kBAAkB,EAAE,MAAM,qBAAqB,CAAC;AAG9D,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,aAAa,CAAC;AAEpD,0DAA0D;AAC1D,MAAM,MAAM,WAAW,GAAG,IAAI,CAC5B,gBAAgB,EACd,cAAc,GACd,cAAc,GACd,aAAa,GACb,kBAAkB,GAClB,aAAa,GACb,WAAW,CACd,CAAC;AAEF;;;;;;;;;;;GAWG;AACH,wBAAsB,SAAS,CAC7B,MAAM,EAAE,WAAW,EACnB,OAAO,EAAE,cAAc,GAAG,IAAI,EAC9B,QAAQ,EAAE,kBAAkB,EAC5B,YAAY,EAAE,SAAS,WAAW,EAAE,EACpC,WAAW,EAAE,MAAM,GAAG,MAAM,GAAG,OAAO,GACrC,OAAO,CAAC,IAAI,CAAC,CAqBf"}
@@ -1 +1 @@
1
- {"version":3,"file":"drawScene.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/drawScene.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,2BAA2B,EAAE,MAAM,qBAAqB,CAAC;AAelE;;;;;;;;;;;GAWG;AACH,MAAM,CAAC,KAAK,UAAU,SAAS,CAC7B,MAAmB,EACnB,OAA8B,EAC9B,QAA4B,EAC5B,YAAoC,EACpC,WAAsC;IAEtC,IAAI,OAAO,KAAK,IAAI,EAAE,CAAC;QACrB,MAAM,MAAM,CAAC,YAAY,EAAE,CAAC;QAC5B,OAAO;IACT,CAAC;IACD,MAAM,IAAI,GAAG,2BAA2B,CAAC,QAAQ,CAAC,CAAC;IACnD,MAAM,MAAM,CAAC,YAAY,CAAC,OAAO,EAAE;QACjC,cAAc,EAAE,IAAI,CAAC,cAAc;QACnC,UAAU,EAAE,IAAI,CAAC,UAAU;KAC5B,CAAC,CAAC;IACH,IAAI,IAAI,CAAC,WAAW,EAAE,CAAC;QACrB,MAAM,MAAM,CAAC,WAAW,CAAC;YACvB,KAAK,EAAE,IAAI,CAAC,YAAY;YACxB,WAAW,EAAE,IAAI,CAAC,WAAW;YAC7B,QAAQ,EAAE,IAAI,CAAC,eAAe;YAC9B,KAAK,EAAE,IAAI,CAAC,YAAY;SACzB,CAAC,CAAC;IACL,CAAC;IACD,MAAM,MAAM,CAAC,gBAAgB,CAAC,YAAY,CAAC,CAAC;IAC5C,IAAI,WAAW,KAAK,MAAM;QAAE,MAAM,MAAM,CAAC,WAAW,EAAE,CAAC;IACvD,IAAI,WAAW,KAAK,OAAO;QAAE,MAAM,MAAM,CAAC,WAAW,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC;AACjE,CAAC"}
1
+ {"version":3,"file":"drawScene.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/drawScene.ts"],"names":[],"mappings":"AAGA,OAAO,EAAE,2BAA2B,EAAE,MAAM,qBAAqB,CAAC;AAelE;;;;;;;;;;;GAWG;AACH,MAAM,CAAC,KAAK,UAAU,SAAS,CAC7B,MAAmB,EACnB,OAA8B,EAC9B,QAA4B,EAC5B,YAAoC,EACpC,WAAsC;IAEtC,IAAI,OAAO,KAAK,IAAI,EAAE,CAAC;QACrB,MAAM,MAAM,CAAC,YAAY,EAAE,CAAC;QAC5B,OAAO;IACT,CAAC;IACD,MAAM,IAAI,GAAG,2BAA2B,CAAC,QAAQ,CAAC,CAAC;IACnD,MAAM,MAAM,CAAC,YAAY,CAAC,OAAO,EAAE;QACjC,cAAc,EAAE,IAAI,CAAC,cAAc;QACnC,UAAU,EAAE,IAAI,CAAC,UAAU;KAC5B,CAAC,CAAC;IACH,IAAI,IAAI,CAAC,WAAW,EAAE,CAAC;QACrB,MAAM,MAAM,CAAC,WAAW,CAAC;YACvB,KAAK,EAAE,IAAI,CAAC,YAAY;YACxB,WAAW,EAAE,IAAI,CAAC,WAAW;YAC7B,QAAQ,EAAE,IAAI,CAAC,eAAe;YAC9B,KAAK,EAAE,IAAI,CAAC,YAAY;SACzB,CAAC,CAAC;IACL,CAAC;IACD,MAAM,MAAM,CAAC,gBAAgB,CAAC,YAAY,CAAC,CAAC;IAC5C,IAAI,WAAW,KAAK,MAAM;QAAE,MAAM,MAAM,CAAC,WAAW,EAAE,CAAC;IACvD,IAAI,WAAW,KAAK,OAAO;QAAE,MAAM,MAAM,CAAC,WAAW,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC;AACjE,CAAC"}
@@ -1,9 +1,17 @@
1
1
  import type { FigureFormat } from '../../download/core/downloadFigure.ts';
2
2
  import type { ImageSize } from '../core/exportImage.ts';
3
- /** The one thing an export asks of a viewer: a picture of its scene. */
3
+ /** What an export asks of a viewer: a picture of its scene. */
4
4
  export interface SceneCapture {
5
5
  /** Render the scene at that pixel size, as a `data:` URI. */
6
6
  captureImage: (size: ImageSize) => Promise<string | undefined>;
7
+ /**
8
+ * The frames of the scene, each rendered at that pixel size, for an animated
9
+ * PNG.
10
+ * @default undefined — the viewer has a single frame to give
11
+ */
12
+ frames?: {
13
+ capture: (size: ImageSize) => Promise<ImageData[] | undefined>;
14
+ };
7
15
  }
8
16
  /** What {@link exportMoleculeImage} writes. */
9
17
  export interface MoleculeImageRequest {
@@ -14,6 +22,12 @@ export interface MoleculeImageRequest {
14
22
  size: ImageSize;
15
23
  /** File name without its extension. */
16
24
  fileName: string;
25
+ /**
26
+ * Every frame of the scene as one animated PNG, played at this many frames a
27
+ * second, rather than the frame on screen. Ignored for an SVG.
28
+ * @default undefined — the frame on screen
29
+ */
30
+ framesPerSecond?: number;
17
31
  }
18
32
  /**
19
33
  * Render the scene as a PNG, for the clipboard.
@@ -1 +1 @@
1
- {"version":3,"file":"exportMoleculeImage.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/exportMoleculeImage.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,uCAAuC,CAAC;AAK1E,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,wBAAwB,CAAC;AAGxD,wEAAwE;AACxE,MAAM,WAAW,YAAY;IAC3B,6DAA6D;IAC7D,YAAY,EAAE,CAAC,IAAI,EAAE,SAAS,KAAK,OAAO,CAAC,MAAM,GAAG,SAAS,CAAC,CAAC;CAChE;AAED,+CAA+C;AAC/C,MAAM,WAAW,oBAAoB;IACnC,MAAM,EAAE,YAAY,CAAC;IACrB,mEAAmE;IACnE,KAAK,EAAE,MAAM,CAAC;IACd,gDAAgD;IAChD,IAAI,EAAE,SAAS,CAAC;IAChB,uCAAuC;IACvC,QAAQ,EAAE,MAAM,CAAC;CAClB;AAED;;;;;;;GAOG;AACH,wBAAsB,kBAAkB,CACtC,MAAM,EAAE,YAAY,EACpB,KAAK,EAAE,MAAM,EACb,IAAI,EAAE,SAAS,GACd,OAAO,CAAC,IAAI,CAAC,CAMf;AAED;;;;;GAKG;AACH,wBAAsB,mBAAmB,CACvC,MAAM,EAAE,YAAY,EACpB,OAAO,EAAE,oBAAoB,GAC5B,OAAO,CAAC,IAAI,CAAC,CAiBf"}
1
+ {"version":3,"file":"exportMoleculeImage.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/exportMoleculeImage.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,uCAAuC,CAAC;AAM1E,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,wBAAwB,CAAC;AAGxD,+DAA+D;AAC/D,MAAM,WAAW,YAAY;IAC3B,6DAA6D;IAC7D,YAAY,EAAE,CAAC,IAAI,EAAE,SAAS,KAAK,OAAO,CAAC,MAAM,GAAG,SAAS,CAAC,CAAC;IAC/D;;;;OAIG;IACH,MAAM,CAAC,EAAE;QACP,OAAO,EAAE,CAAC,IAAI,EAAE,SAAS,KAAK,OAAO,CAAC,SAAS,EAAE,GAAG,SAAS,CAAC,CAAC;KAChE,CAAC;CACH;AAED,+CAA+C;AAC/C,MAAM,WAAW,oBAAoB;IACnC,MAAM,EAAE,YAAY,CAAC;IACrB,mEAAmE;IACnE,KAAK,EAAE,MAAM,CAAC;IACd,gDAAgD;IAChD,IAAI,EAAE,SAAS,CAAC;IAChB,uCAAuC;IACvC,QAAQ,EAAE,MAAM,CAAC;IACjB;;;;OAIG;IACH,eAAe,CAAC,EAAE,MAAM,CAAC;CAC1B;AAED;;;;;;;GAOG;AACH,wBAAsB,kBAAkB,CACtC,MAAM,EAAE,YAAY,EACpB,KAAK,EAAE,MAAM,EACb,IAAI,EAAE,SAAS,GACd,OAAO,CAAC,IAAI,CAAC,CAMf;AAED;;;;;GAKG;AACH,wBAAsB,mBAAmB,CACvC,MAAM,EAAE,YAAY,EACpB,OAAO,EAAE,oBAAoB,GAC5B,OAAO,CAAC,IAAI,CAAC,CA2Bf"}
@@ -3,6 +3,7 @@ import { FIGURE_PNG_TYPE } from "../../download/core/figurePng.js";
3
3
  import { figurePixels } from "../../download/core/figureScale.js";
4
4
  import { FIGURE_SVG_TYPE } from "../../download/core/figureSvg.js";
5
5
  import { sanitizeFileName } from "../../download/core/sanitizeFileName.js";
6
+ import { encodeAnimatedPng } from "../core/animatedPng.js";
6
7
  import { dataUriBytes, rasterSvgMarkup } from "../core/exportImage.js";
7
8
  /**
8
9
  * Render the scene as a PNG, for the clipboard.
@@ -26,12 +27,23 @@ export async function captureMoleculePng(viewer, scale, size) {
26
27
  * @returns Nothing; resolves once the download has been started.
27
28
  */
28
29
  export async function exportMoleculeImage(viewer, request) {
29
- const { format, scale, size, fileName } = request;
30
+ const { format, scale, size, fileName, framesPerSecond } = request;
30
31
  const pixels = figurePixels(size, scale);
32
+ const base = sanitizeFileName(fileName, 'molecule');
33
+ if (format === 'png' && framesPerSecond !== undefined) {
34
+ if (viewer.frames === undefined) {
35
+ throw new Error('This viewer has no frames to animate.');
36
+ }
37
+ const frames = await viewer.frames.capture(pixels);
38
+ if (frames === undefined)
39
+ return;
40
+ const bytes = await encodeAnimatedPng(frames, framesPerSecond);
41
+ downloadBlob(new Blob([bytes], { type: FIGURE_PNG_TYPE }), `${base}.png`);
42
+ return;
43
+ }
31
44
  const dataUri = await viewer.captureImage(pixels);
32
45
  if (dataUri === undefined)
33
46
  return;
34
- const base = sanitizeFileName(fileName, 'molecule');
35
47
  if (format === 'png') {
36
48
  downloadBlob(new Blob([dataUriBytes(dataUri)], { type: FIGURE_PNG_TYPE }), `${base}.png`);
37
49
  return;
@@ -1 +1 @@
1
- {"version":3,"file":"exportMoleculeImage.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/exportMoleculeImage.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,YAAY,EAAE,MAAM,qCAAqC,CAAC;AAEnE,OAAO,EAAE,eAAe,EAAE,MAAM,kCAAkC,CAAC;AACnE,OAAO,EAAE,YAAY,EAAE,MAAM,oCAAoC,CAAC;AAClE,OAAO,EAAE,eAAe,EAAE,MAAM,kCAAkC,CAAC;AACnE,OAAO,EAAE,gBAAgB,EAAE,MAAM,yCAAyC,CAAC;AAE3E,OAAO,EAAE,YAAY,EAAE,eAAe,EAAE,MAAM,wBAAwB,CAAC;AAmBvE;;;;;;;GAOG;AACH,MAAM,CAAC,KAAK,UAAU,kBAAkB,CACtC,MAAoB,EACpB,KAAa,EACb,IAAe;IAEf,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,YAAY,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC,CAAC;IACrE,IAAI,OAAO,KAAK,SAAS,EAAE,CAAC;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;IACtD,CAAC;IACD,OAAO,IAAI,IAAI,CAAC,CAAC,YAAY,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,eAAe,EAAE,CAAC,CAAC;AACtE,CAAC;AAED;;;;;GAKG;AACH,MAAM,CAAC,KAAK,UAAU,mBAAmB,CACvC,MAAoB,EACpB,OAA6B;IAE7B,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,IAAI,EAAE,QAAQ,EAAE,GAAG,OAAO,CAAC;IAClD,MAAM,MAAM,GAAG,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;IACzC,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,YAAY,CAAC,MAAM,CAAC,CAAC;IAClD,IAAI,OAAO,KAAK,SAAS;QAAE,OAAO;IAClC,MAAM,IAAI,GAAG,gBAAgB,CAAC,QAAQ,EAAE,UAAU,CAAC,CAAC;IACpD,IAAI,MAAM,KAAK,KAAK,EAAE,CAAC;QACrB,YAAY,CACV,IAAI,IAAI,CAAC,CAAC,YAAY,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,eAAe,EAAE,CAAC,EAC5D,GAAG,IAAI,MAAM,CACd,CAAC;QACF,OAAO;IACT,CAAC;IACD,YAAY,CACV,IAAI,IAAI,CAAC,CAAC,eAAe,CAAC,OAAO,EAAE,MAAM,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,eAAe,EAAE,CAAC,EACvE,GAAG,IAAI,MAAM,CACd,CAAC;AACJ,CAAC"}
1
+ {"version":3,"file":"exportMoleculeImage.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/exportMoleculeImage.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,YAAY,EAAE,MAAM,qCAAqC,CAAC;AAEnE,OAAO,EAAE,eAAe,EAAE,MAAM,kCAAkC,CAAC;AACnE,OAAO,EAAE,YAAY,EAAE,MAAM,oCAAoC,CAAC;AAClE,OAAO,EAAE,eAAe,EAAE,MAAM,kCAAkC,CAAC;AACnE,OAAO,EAAE,gBAAgB,EAAE,MAAM,yCAAyC,CAAC;AAC3E,OAAO,EAAE,iBAAiB,EAAE,MAAM,wBAAwB,CAAC;AAE3D,OAAO,EAAE,YAAY,EAAE,eAAe,EAAE,MAAM,wBAAwB,CAAC;AAiCvE;;;;;;;GAOG;AACH,MAAM,CAAC,KAAK,UAAU,kBAAkB,CACtC,MAAoB,EACpB,KAAa,EACb,IAAe;IAEf,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,YAAY,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC,CAAC;IACrE,IAAI,OAAO,KAAK,SAAS,EAAE,CAAC;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;IACtD,CAAC;IACD,OAAO,IAAI,IAAI,CAAC,CAAC,YAAY,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,eAAe,EAAE,CAAC,CAAC;AACtE,CAAC;AAED;;;;;GAKG;AACH,MAAM,CAAC,KAAK,UAAU,mBAAmB,CACvC,MAAoB,EACpB,OAA6B;IAE7B,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,IAAI,EAAE,QAAQ,EAAE,eAAe,EAAE,GAAG,OAAO,CAAC;IACnE,MAAM,MAAM,GAAG,YAAY,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;IACzC,MAAM,IAAI,GAAG,gBAAgB,CAAC,QAAQ,EAAE,UAAU,CAAC,CAAC;IACpD,IAAI,MAAM,KAAK,KAAK,IAAI,eAAe,KAAK,SAAS,EAAE,CAAC;QACtD,IAAI,MAAM,CAAC,MAAM,KAAK,SAAS,EAAE,CAAC;YAChC,MAAM,IAAI,KAAK,CAAC,uCAAuC,CAAC,CAAC;QAC3D,CAAC;QACD,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,MAAM,CAAC,OAAO,CAAC,MAAM,CAAC,CAAC;QACnD,IAAI,MAAM,KAAK,SAAS;YAAE,OAAO;QACjC,MAAM,KAAK,GAAG,MAAM,iBAAiB,CAAC,MAAM,EAAE,eAAe,CAAC,CAAC;QAC/D,YAAY,CAAC,IAAI,IAAI,CAAC,CAAC,KAAK,CAAC,EAAE,EAAE,IAAI,EAAE,eAAe,EAAE,CAAC,EAAE,GAAG,IAAI,MAAM,CAAC,CAAC;QAC1E,OAAO;IACT,CAAC;IACD,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,YAAY,CAAC,MAAM,CAAC,CAAC;IAClD,IAAI,OAAO,KAAK,SAAS;QAAE,OAAO;IAClC,IAAI,MAAM,KAAK,KAAK,EAAE,CAAC;QACrB,YAAY,CACV,IAAI,IAAI,CAAC,CAAC,YAAY,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,eAAe,EAAE,CAAC,EAC5D,GAAG,IAAI,MAAM,CACd,CAAC;QACF,OAAO;IACT,CAAC;IACD,YAAY,CACV,IAAI,IAAI,CAAC,CAAC,eAAe,CAAC,OAAO,EAAE,MAAM,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,eAAe,EAAE,CAAC,EACvE,GAAG,IAAI,MAAM,CACd,CAAC;AACJ,CAAC"}
@@ -0,0 +1,47 @@
1
+ /**
2
+ * The frames of the file a viewer shows: how many there are, whether they
3
+ * play, and a picture of each.
4
+ *
5
+ * Kept apart from the viewer because every redraw of the scene has to go
6
+ * through it: a running animation must not step a state tree being rebuilt —
7
+ * it finds no model and stops itself — so the frames are stopped first and
8
+ * started again once the new file is drawn.
9
+ */
10
+ import type { PluginContext } from 'molstar/lib/mol-plugin/context.js';
11
+ import type { MolstarPlugin } from '../../molstar/core/index.ts';
12
+ import type { ImageSize } from '../core/exportImage.ts';
13
+ /** The frames of what one viewer shows. */
14
+ export declare class MoleculeFrames {
15
+ #private;
16
+ /**
17
+ * Follow the frames of what `plugin` draws.
18
+ * @param plugin - The canvas.
19
+ * @param onCountChange - Called with how many frames each scene drawn holds.
20
+ */
21
+ constructor(plugin: MolstarPlugin, onCountChange: (frameCount: number) => void);
22
+ /**
23
+ * Redraw the scene with the frames stopped, then report how many the new
24
+ * scene holds and play them if playback is on.
25
+ * @param plugin - The molstar context.
26
+ * @param draw - Draws the scene, and resolves with how many frames it holds.
27
+ * @returns Nothing; resolves once the scene is drawn and playing.
28
+ */
29
+ redraw(plugin: PluginContext, draw: () => Promise<number>): Promise<void>;
30
+ /**
31
+ * Play the frames in a loop, or stop them, now and for every scene drawn
32
+ * afterwards. A scene of one frame stays still.
33
+ * @param playing - Whether to play.
34
+ * @param framesPerSecond - How fast.
35
+ * @returns Nothing; resolves once the animation is started or stopped.
36
+ */
37
+ play(playing: boolean, framesPerSecond: number): Promise<void>;
38
+ /**
39
+ * Render every frame off screen, as a still picture of the scene is
40
+ * rendered. Playback pauses while they are taken.
41
+ * @param size - Pixel size of each picture.
42
+ * @returns The pictures, in order; `undefined` once the canvas is disposed.
43
+ * @throws {Error} When the plugin has no screenshot helper.
44
+ */
45
+ capture(size: ImageSize): Promise<ImageData[] | undefined>;
46
+ }
47
+ //# sourceMappingURL=moleculeFrames.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"moleculeFrames.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/moleculeFrames.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAEvE,OAAO,KAAK,EAAiB,aAAa,EAAE,MAAM,6BAA6B,CAAC;AAOhF,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,wBAAwB,CAAC;AAExD,2CAA2C;AAC3C,qBAAa,cAAc;;IASzB;;;;OAIG;gBAED,MAAM,EAAE,aAAa,EACrB,aAAa,EAAE,CAAC,UAAU,EAAE,MAAM,KAAK,IAAI;IAM7C;;;;;;OAMG;IACG,MAAM,CACV,MAAM,EAAE,aAAa,EACrB,IAAI,EAAE,MAAM,OAAO,CAAC,MAAM,CAAC,GAC1B,OAAO,CAAC,IAAI,CAAC;IAOhB;;;;;;OAMG;IACH,IAAI,CAAC,OAAO,EAAE,OAAO,EAAE,eAAe,EAAE,MAAM,GAAG,OAAO,CAAC,IAAI,CAAC;IAO9D;;;;;;OAMG;IACH,OAAO,CAAC,IAAI,EAAE,SAAS,GAAG,OAAO,CAAC,SAAS,EAAE,GAAG,SAAS,CAAC;CAK3D"}
@@ -0,0 +1,65 @@
1
+ /**
2
+ * The frames of the file a viewer shows: how many there are, whether they
3
+ * play, and a picture of each.
4
+ *
5
+ * Kept apart from the viewer because every redraw of the scene has to go
6
+ * through it: a running animation must not step a state tree being rebuilt —
7
+ * it finds no model and stops itself — so the frames are stopped first and
8
+ * started again once the new file is drawn.
9
+ */
10
+ import { captureFrames, setTrajectoryPlayback, stopTrajectory, } from "../../molstar/core/index.js";
11
+ import { DEFAULT_FRAMES_PER_SECOND } from "../core/animatedPng.js";
12
+ /** The frames of what one viewer shows. */
13
+ export class MoleculeFrames {
14
+ #plugin;
15
+ #onCountChange;
16
+ // Kept across redraws, so the next file plays as the last one did.
17
+ #playback = {
18
+ playing: false,
19
+ framesPerSecond: DEFAULT_FRAMES_PER_SECOND,
20
+ };
21
+ /**
22
+ * Follow the frames of what `plugin` draws.
23
+ * @param plugin - The canvas.
24
+ * @param onCountChange - Called with how many frames each scene drawn holds.
25
+ */
26
+ constructor(plugin, onCountChange) {
27
+ this.#plugin = plugin;
28
+ this.#onCountChange = onCountChange;
29
+ }
30
+ /**
31
+ * Redraw the scene with the frames stopped, then report how many the new
32
+ * scene holds and play them if playback is on.
33
+ * @param plugin - The molstar context.
34
+ * @param draw - Draws the scene, and resolves with how many frames it holds.
35
+ * @returns Nothing; resolves once the scene is drawn and playing.
36
+ */
37
+ async redraw(plugin, draw) {
38
+ await stopTrajectory(plugin);
39
+ this.#onCountChange(await draw());
40
+ const { playing, framesPerSecond } = this.#playback;
41
+ await setTrajectoryPlayback(plugin, playing, framesPerSecond);
42
+ }
43
+ /**
44
+ * Play the frames in a loop, or stop them, now and for every scene drawn
45
+ * afterwards. A scene of one frame stays still.
46
+ * @param playing - Whether to play.
47
+ * @param framesPerSecond - How fast.
48
+ * @returns Nothing; resolves once the animation is started or stopped.
49
+ */
50
+ play(playing, framesPerSecond) {
51
+ this.#playback = { playing, framesPerSecond };
52
+ return this.#plugin.run((plugin) => setTrajectoryPlayback(plugin, playing, framesPerSecond));
53
+ }
54
+ /**
55
+ * Render every frame off screen, as a still picture of the scene is
56
+ * rendered. Playback pauses while they are taken.
57
+ * @param size - Pixel size of each picture.
58
+ * @returns The pictures, in order; `undefined` once the canvas is disposed.
59
+ * @throws {Error} When the plugin has no screenshot helper.
60
+ */
61
+ capture(size) {
62
+ return this.#plugin.run((plugin) => captureFrames(plugin, size, this.#playback));
63
+ }
64
+ }
65
+ //# sourceMappingURL=moleculeFrames.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"moleculeFrames.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/moleculeFrames.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAKH,OAAO,EACL,aAAa,EACb,qBAAqB,EACrB,cAAc,GACf,MAAM,6BAA6B,CAAC;AACrC,OAAO,EAAE,yBAAyB,EAAE,MAAM,wBAAwB,CAAC;AAGnE,2CAA2C;AAC3C,MAAM,OAAO,cAAc;IAChB,OAAO,CAAgB;IACvB,cAAc,CAA+B;IACtD,mEAAmE;IACnE,SAAS,GAAkB;QACzB,OAAO,EAAE,KAAK;QACd,eAAe,EAAE,yBAAyB;KAC3C,CAAC;IAEF;;;;OAIG;IACH,YACE,MAAqB,EACrB,aAA2C;QAE3C,IAAI,CAAC,OAAO,GAAG,MAAM,CAAC;QACtB,IAAI,CAAC,cAAc,GAAG,aAAa,CAAC;IACtC,CAAC;IAED;;;;;;OAMG;IACH,KAAK,CAAC,MAAM,CACV,MAAqB,EACrB,IAA2B;QAE3B,MAAM,cAAc,CAAC,MAAM,CAAC,CAAC;QAC7B,IAAI,CAAC,cAAc,CAAC,MAAM,IAAI,EAAE,CAAC,CAAC;QAClC,MAAM,EAAE,OAAO,EAAE,eAAe,EAAE,GAAG,IAAI,CAAC,SAAS,CAAC;QACpD,MAAM,qBAAqB,CAAC,MAAM,EAAE,OAAO,EAAE,eAAe,CAAC,CAAC;IAChE,CAAC;IAED;;;;;;OAMG;IACH,IAAI,CAAC,OAAgB,EAAE,eAAuB;QAC5C,IAAI,CAAC,SAAS,GAAG,EAAE,OAAO,EAAE,eAAe,EAAE,CAAC;QAC9C,OAAO,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CACjC,qBAAqB,CAAC,MAAM,EAAE,OAAO,EAAE,eAAe,CAAC,CACxD,CAAC;IACJ,CAAC;IAED;;;;;;OAMG;IACH,OAAO,CAAC,IAAe;QACrB,OAAO,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CACjC,aAAa,CAAC,MAAM,EAAE,IAAI,EAAE,IAAI,CAAC,SAAS,CAAC,CAC5C,CAAC;IACJ,CAAC;CACF"}
@@ -1,9 +1,10 @@
1
1
  import type { ReactNode } from 'react';
2
2
  import type { ViewerCapability } from '../../orbital/ui/capability.ts';
3
3
  import type { Molecule3DCamera } from '../core/camera.ts';
4
+ import type { Molecule3DFile } from '../core/file.ts';
4
5
  import type { Molecule3DHighlight } from '../core/highlight.ts';
5
6
  import type { Measurement } from '../core/measurement.ts';
6
- import type { Molecule3DFile, Molecule3DSettings, Molecule3DTools } from '../core/settings.ts';
7
+ import type { Molecule3DSettings, Molecule3DTools } from '../core/settings.ts';
7
8
  /**
8
9
  * Props of `MoleculeViewer3D`.
9
10
  *
@@ -63,6 +64,18 @@ export interface MoleculeViewer3DProps {
63
64
  * @default 1 / 3
64
65
  */
65
66
  spinSpeed?: number;
67
+ /**
68
+ * Whether the frames of a file holding several are played in a loop. A file
69
+ * of one model stays still whatever this says.
70
+ * @default false
71
+ */
72
+ playing?: boolean;
73
+ /**
74
+ * How many frames are shown per second while playing, and in an animated
75
+ * PNG; molstar plays between 5 and 60.
76
+ * @default 25
77
+ */
78
+ framesPerSecond?: number;
66
79
  /**
67
80
  * The measurements drawn over the model, when the site owns them. They name
68
81
  * atoms by position, so they carry over to another conformer of the same
@@ -1 +1 @@
1
- {"version":3,"file":"moleculeViewer3DProps.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/moleculeViewer3DProps.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAEvC,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,gCAAgC,CAAC;AACvE,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,mBAAmB,CAAC;AAC1D,OAAO,KAAK,EAAE,mBAAmB,EAAE,MAAM,sBAAsB,CAAC;AAChE,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAC1D,OAAO,KAAK,EACV,cAAc,EACd,kBAAkB,EAClB,eAAe,EAChB,MAAM,qBAAqB,CAAC;AAE7B;;;;;;GAMG;AACH,MAAM,WAAW,qBAAqB;IACpC,qEAAqE;IACrE,OAAO,EAAE,cAAc,GAAG,IAAI,CAAC;IAC/B;;;;;;OAMG;IACH,gBAAgB,CAAC,EAAE,MAAM,GAAG,OAAO,CAAC;IACpC;;;OAGG;IACH,KAAK,CAAC,EAAE,OAAO,CAAC,eAAe,CAAC,CAAC;IACjC;;;OAGG;IACH,QAAQ,CAAC,EAAE,kBAAkB,CAAC;IAC9B;;;;OAIG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC,kBAAkB,CAAC,CAAC;IAC9C;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,kBAAkB,KAAK,IAAI,CAAC;IAC1D;;;OAGG;IACH,QAAQ,CAAC,EAAE,OAAO,CAAC;IACnB;;;OAGG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC;IAC1B;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,OAAO,KAAK,IAAI,CAAC;IAC/C;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;;;;;OAOG;IACH,YAAY,CAAC,EAAE,SAAS,WAAW,EAAE,CAAC;IACtC;;;OAGG;IACH,oBAAoB,CAAC,EAAE,CAAC,YAAY,EAAE,SAAS,WAAW,EAAE,KAAK,IAAI,CAAC;IACtE;;;;;;;;;;OAUG;IACH,UAAU,CAAC,EAAE,SAAS,mBAAmB,EAAE,CAAC;IAC5C;;;;;;OAMG;IACH,aAAa,CAAC,EAAE,gBAAgB,GAAG,IAAI,CAAC;IACxC;;;;OAIG;IACH,cAAc,CAAC,EAAE,CAAC,MAAM,EAAE,gBAAgB,KAAK,IAAI,CAAC;IACpD;;;;OAIG;IACH,iBAAiB,CAAC,EAAE,MAAM,CAAC;IAC3B;;;OAGG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB;;;OAGG;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;OAGG;IACH,QAAQ,CAAC,EAAE,SAAS,CAAC;IACrB;;;OAGG;IACH,iBAAiB,CAAC,EAAE,CAAC,UAAU,EAAE,gBAAgB,KAAK,SAAS,CAAC;CACjE"}
1
+ {"version":3,"file":"moleculeViewer3DProps.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/moleculeViewer3DProps.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAEvC,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,gCAAgC,CAAC;AACvE,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,mBAAmB,CAAC;AAC1D,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,iBAAiB,CAAC;AACtD,OAAO,KAAK,EAAE,mBAAmB,EAAE,MAAM,sBAAsB,CAAC;AAChE,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAC1D,OAAO,KAAK,EAAE,kBAAkB,EAAE,eAAe,EAAE,MAAM,qBAAqB,CAAC;AAE/E;;;;;;GAMG;AACH,MAAM,WAAW,qBAAqB;IACpC,qEAAqE;IACrE,OAAO,EAAE,cAAc,GAAG,IAAI,CAAC;IAC/B;;;;;;OAMG;IACH,gBAAgB,CAAC,EAAE,MAAM,GAAG,OAAO,CAAC;IACpC;;;OAGG;IACH,KAAK,CAAC,EAAE,OAAO,CAAC,eAAe,CAAC,CAAC;IACjC;;;OAGG;IACH,QAAQ,CAAC,EAAE,kBAAkB,CAAC;IAC9B;;;;OAIG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC,kBAAkB,CAAC,CAAC;IAC9C;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,kBAAkB,KAAK,IAAI,CAAC;IAC1D;;;OAGG;IACH,QAAQ,CAAC,EAAE,OAAO,CAAC;IACnB;;;OAGG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC;IAC1B;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,OAAO,KAAK,IAAI,CAAC;IAC/C;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;;OAIG;IACH,OAAO,CAAC,EAAE,OAAO,CAAC;IAClB;;;;OAIG;IACH,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB;;;;;;;OAOG;IACH,YAAY,CAAC,EAAE,SAAS,WAAW,EAAE,CAAC;IACtC;;;OAGG;IACH,oBAAoB,CAAC,EAAE,CAAC,YAAY,EAAE,SAAS,WAAW,EAAE,KAAK,IAAI,CAAC;IACtE;;;;;;;;;;OAUG;IACH,UAAU,CAAC,EAAE,SAAS,mBAAmB,EAAE,CAAC;IAC5C;;;;;;OAMG;IACH,aAAa,CAAC,EAAE,gBAAgB,GAAG,IAAI,CAAC;IACxC;;;;OAIG;IACH,cAAc,CAAC,EAAE,CAAC,MAAM,EAAE,gBAAgB,KAAK,IAAI,CAAC;IACpD;;;;OAIG;IACH,iBAAiB,CAAC,EAAE,MAAM,CAAC;IAC3B;;;OAGG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB;;;OAGG;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;OAGG;IACH,QAAQ,CAAC,EAAE,SAAS,CAAC;IACrB;;;OAGG;IACH,iBAAiB,CAAC,EAAE,CAAC,UAAU,EAAE,gBAAgB,KAAK,SAAS,CAAC;CACjE"}
@@ -8,7 +8,7 @@
8
8
  */
9
9
  import type { Structure } from 'molstar/lib/mol-model/structure.js';
10
10
  import type { PluginContext } from 'molstar/lib/mol-plugin/context.js';
11
- import type { Molecule3DFile } from '../core/settings.ts';
11
+ import type { Molecule3DFile } from '../core/file.ts';
12
12
  import type { MoleculeStyle } from './viewerTypes.ts';
13
13
  /** State-tree ref of the structure every representation hangs off. */
14
14
  export declare const MOLECULE_STRUCTURE_REF = "molecule3d-structure";
@@ -19,12 +19,12 @@ export declare const MODEL_REPRESENTATION_REF = "molecule3d-model";
19
19
  * @param plugin - The molstar context.
20
20
  * @param molfile - Molfile text plus the format id.
21
21
  * @param style - See {@link MoleculeStyle}.
22
- * @returns Nothing; resolves once the model is on screen.
22
+ * @returns How many frames the file holds, the first of which is on screen.
23
23
  * @throws {Error} When the file parses to zero atoms. molstar's `mol` parser returns
24
24
  * exactly that on a V3000 file, with no error, so without this check the viewer
25
25
  * would show an empty scene and report nothing.
26
26
  */
27
- export declare function renderMolecule(plugin: PluginContext, molfile: Molecule3DFile, style?: MoleculeStyle): Promise<void>;
27
+ export declare function renderMolecule(plugin: PluginContext, molfile: Molecule3DFile, style?: MoleculeStyle): Promise<number>;
28
28
  /**
29
29
  * Remove the molecule, and with it any surface drawn on the same atoms.
30
30
  * @param plugin - The molstar context.
@@ -1 +1 @@
1
- {"version":3,"file":"renderMolecule.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/renderMolecule.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,oCAAoC,CAAC;AACpE,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAOvE,OAAO,KAAK,EAAE,cAAc,EAAoB,MAAM,qBAAqB,CAAC;AAE5E,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAEtD,sEAAsE;AACtE,eAAO,MAAM,sBAAsB,yBAAyB,CAAC;AAK7D,qEAAqE;AACrE,eAAO,MAAM,wBAAwB,qBAAqB,CAAC;AAiB3D;;;;;;;;;GASG;AACH,wBAAsB,cAAc,CAClC,MAAM,EAAE,aAAa,EACrB,OAAO,EAAE,cAAc,EACvB,KAAK,GAAE,aAAkB,GACxB,OAAO,CAAC,IAAI,CAAC,CA0Cf;AAED;;;;GAIG;AACH,wBAAsB,aAAa,CAAC,MAAM,EAAE,aAAa,GAAG,OAAO,CAAC,IAAI,CAAC,CAGxE;AAED;;;;GAIG;AACH,wBAAgB,iBAAiB,CAC/B,MAAM,EAAE,aAAa,GACpB,SAAS,GAAG,SAAS,CAIvB"}
1
+ {"version":3,"file":"renderMolecule.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/renderMolecule.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,oCAAoC,CAAC;AACpE,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAOvE,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,iBAAiB,CAAC;AAGtD,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAEtD,sEAAsE;AACtE,eAAO,MAAM,sBAAsB,yBAAyB,CAAC;AAK7D,qEAAqE;AACrE,eAAO,MAAM,wBAAwB,qBAAqB,CAAC;AAiB3D;;;;;;;;;GASG;AACH,wBAAsB,cAAc,CAClC,MAAM,EAAE,aAAa,EACrB,OAAO,EAAE,cAAc,EACvB,KAAK,GAAE,aAAkB,GACxB,OAAO,CAAC,MAAM,CAAC,CA2CjB;AAED;;;;GAIG;AACH,wBAAsB,aAAa,CAAC,MAAM,EAAE,aAAa,GAAG,OAAO,CAAC,IAAI,CAAC,CAGxE;AAED;;;;GAIG;AACH,wBAAgB,iBAAiB,CAC/B,MAAM,EAAE,aAAa,GACpB,SAAS,GAAG,SAAS,CAIvB"}
@@ -32,7 +32,7 @@ const STICK_SCALE = 1.2;
32
32
  * @param plugin - The molstar context.
33
33
  * @param molfile - Molfile text plus the format id.
34
34
  * @param style - See {@link MoleculeStyle}.
35
- * @returns Nothing; resolves once the model is on screen.
35
+ * @returns How many frames the file holds, the first of which is on screen.
36
36
  * @throws {Error} When the file parses to zero atoms. molstar's `mol` parser returns
37
37
  * exactly that on a V3000 file, with no error, so without this check the viewer
38
38
  * would show an empty scene and report nothing.
@@ -62,6 +62,7 @@ export async function renderMolecule(plugin, molfile, style = {}) {
62
62
  .to(MOLECULE_STRUCTURE_REF)
63
63
  .applyOrUpdate(MODEL_REPRESENTATION_REF, StructureRepresentation3D, modelParams(plugin, structure, representation, sizeFactor * NATURAL_SIZE_FACTOR))
64
64
  .commit();
65
+ return trajectory.data?.frameCount ?? 1;
65
66
  }
66
67
  /**
67
68
  * Remove the molecule, and with it any surface drawn on the same atoms.