get_mol_ids: Get IDs of molecules for each cluster
In DrrDom/rspci: Analysis of fragments contributions calculated by SPCI software

Description Usage Arguments Value Examples

Get IDs of molecules for each cluster

1	get_mol_ids(model, uncertainty = 1)

`model`	mclust model
`uncertainty`	the maximum level of uncertainty for molecules to belong to a cluster. Molecules with uncertainty higher than this threshold will not appear in the resulting list

list of vectors containing IDs of molecules belonging to each cluster if IDs were supplied to clust. Otherwise indices will be returned.

file_name <- system.file("extdata", "BBB_frag_contributions.txt", package = "rspci")
df <- load_data(file_name)
dx <- dplyr::filter(df, FragID == "OH (aliphatic)", Model == "consensus", Property == "overall")
m <- clust(dx$Contribution, dx$MolID)
get_mol_ids(m, uncert = 0.2)