\name{sdfid} \alias{sdfid} \title{ Return SDF compound IDs } \description{ Returns the compound identifiers from the header block of \code{SDF} or \code{SDFset} objects. } \usage{ sdfid(x, tag = 1) } \arguments{ \item{x}{ object of class \code{SDFset} or \code{SDF} } \item{tag}{ values from 1-4 to extract different header block fields; SDF ID is in first one (default) } } \details{ ... } \value{ \code{character} vector} \references{ ... } \author{ Thomas Girke } \seealso{ \code{atomblock}, \code{atomcount}, \code{bondblock}, \code{datablock}, \code{header}, \code{cid} } \examples{ ## SDF/SDFset instances data(sdfsample) sdfset <- sdfsample sdf <- sdfset[[1]] ## Extract IDs from header block sdfid(sdf, tag=1) sdfid(sdfset[1:4]) ## Extract compound IDs from ID slot in SDFset container cid(sdfset[1:4]) ## Assigning compound IDs and keeping them unique unique_ids <- makeUnique(sdfid(sdfset)) cid(sdfset) <- unique_ids cid(sdfset[1:4]) } \keyword{ utilities }