Exporting components

Export components data can be useful to reproduce the same view in a different visualization software. To do that, one would need to loop over all components, extract its selection (for example by using atom indices) and its representations (type, coloring and sizing).

Getting assets / molecular files

for (const { asset, file } of plugin.managers.asset.assets) {
  const isFile = asset.asset.kind === 'url'
  console.log(asset.asset.id)
  console.log(isFile)
  const data = await file.arrayBuffer()
}

Getting components per structure

import { PluginStateObject as PSO } from 'molstar/lib/mol-plugin-state/objects';
//...

const componentManager = plugin.managers.structure.component;
for (const structure of componentManager.currentStructures) {
  if (!structure.properties) {
      continue;
  }
  const cell = plugin.state.data.select(structure.properties.cell.transform.ref)[0];
  if (!cell || !cell.obj) {
    continue;
  }
  const structureData = (cell.obj as PSO.Molecule.Structure).data;
  for (const component of structure.components) {
    if (!component.cell.obj) {
      continue;
    }
    // For each component in each structure, display the content of the selection
    Structure.eachAtomicHierarchyElement(component.cell.obj.data, {
      atom: location => console.log(location.element)
    });
    for (const rep of component.representations) {
      // For each representation of the component, display its type
      console.log(rep.cell?.transform?.params?.type?.name)

      // Also display the color for each atom
      const colorThemeName = rep.cell.transform.params?.colorTheme.name;
      const colorThemeParams = rep.cell.transform.params?.colorTheme.params;
      const theme = plugin.representation.structure.themes.colorThemeRegistry.create(
        colorThemeName || '',
        { structure: structureData },
        colorThemeParams
      ) as ColorTheme<typeof colorThemeParams>;
      Structure.eachAtomicHierarchyElement(component.cell.obj.data, {
        atom: loc => console.log(theme.color(loc, false))
      });
    }
  }
}