atomblock: Return atom block
In ChemmineR: Cheminformatics Toolkit for R

Description Usage Arguments Details Value Author(s) References See Also Examples

Returns atom block(s) from an object of class SDF or SDFset.

1	atomblock(x)

`x`	object of class `SDF` or `SDFset`

...

matrix if SDF is provided or list of matrices if SDFset is provided

Thomas Girke

...

header, atomcount, bondblock, datablock, cid, sdfid

## SDF/SDFset instances
data(sdfsample)
sdfset <- sdfsample
sdf <- sdfset[[1]]

## Extract atome block
atomblock(sdf)
atomblock(sdfset[1:4])

## Replacement methods
sdfset[[1]][[2]][1,1] <- 999
sdfset[[1]]
atomblock(sdfset)[1:2] <- atomblock(sdfset)[3:4]
atomblock(sdfset[[1]]) == atomblock(sdfset[[3]]) 
view(sdfset[1:2])