\name{validSDF} \alias{validSDF} \title{ Validity check of SDFset } \description{ Performs validity check of SDFs stored in \code{SDFset} objects. Currently, the function tests whether the atom block and the bond block in each \code{SDF} component of an \code{SDFset} have at least \code{Nabcol} and \code{Nbbcol} columns (default is 3 for both). The function returns a logical vector with \code{TRUE} values for valid compounds and \code{FALSE} values for invalid ones. } \usage{ validSDF(x, Nabcol = 3, Nbbcol = 3, logic = "&") } \arguments{ \item{x}{ \code{x} object of class \code{SDFset} } \item{Nabcol}{ minimum number of columns in atom block } \item{Nbbcol}{ minimum number of columns in bond block } \item{logic}{ logical connection (& or |) among Nabcol and Nbbcol cutoffs } } \details{ The function is important to remove invalid compounds from \code{SDFset} containers. } \value{ \code{logical} vector of length \code{x} with \code{TRUE} for valid compounds and \code{FALSE} for invalid compounds. } \references{ ... } \author{ Thomas Girke } \seealso{ Functions: \code{read.SDFset} } \examples{ ## SDFset instance data(sdfsample) sdfset <- sdfsample ## Detect and remove invalid SDFs in SDFset. valid <- validSDF(sdfset) which(!valid) # Returns index for invalid SDFs sdfset <- sdfset[valid] # Returns only valid SDFs. } \keyword{ utilities }