A molecule may be represented as a disconnected graph, such as when read in as a salt form. This method will return the larges connected component or if there is only a single component (i.e., the molecular graph is complete or fully connected), that component is returned.
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'
The largest component as an 'IAtomContainer' object or else the input molecule itself
Rajarshi Guha (firstname.lastname@example.org)
m <- parse.smiles("CC.CCCCCC.CCCC")[] largest <- get.largest.component(m) length(get.atoms(largest)) == 6
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.