cid {ChemmineR} | R Documentation

## Return compound IDs

### Description

Returns the compound identifiers from the ID slot of an `SDFset` object.

### Usage

    cid(x)

### Arguments

`x` | object of class `SDFset` or `APset`

### Details

...

### Value

`character` vector

### Author(s)

Thomas Girke

### References

...

### See Also

`atomblock`, `atomcount`, `bondblock`, `datablock`, `header`, `sdfid`

### Examples

    ## SDFset/APset instances
    data(sdfsample)
    sdfset <- sdfsample
    apset <- sdf2ap(sdfset[1:4])

    ## Extract compound IDs from SDFset/APset
    cid(sdfset[1:4])
    cid(apset[1:4])

    ## Extract IDs defined in SD file
    sdfid(sdfset[1:4])

    ## Assigning compound IDs and keeping them unique
    unique_ids <- makeUnique(sdfid(sdfset))
    cid(sdfset) <- unique_ids
    cid(sdfset[1:4])

    ## Replacement Method
    cid(sdfset) <- as.character(1:100)

[Package ChemmineR version 3.36.0 Index]