Newer
Older
warning("SMILES missing at row: ",i, "; ID: ",df$ID[[i]]," .")
}
stop("Missing SMILES found.")
}
}
## Missing mz?
if (checkMz) {
ind<-which(is.na(df$mz))
if (length(ind)>0) {
for (i in ind) {
warning("mz missing at row: ",i, "; ID: ",df$ID[[i]]," .")
}
stop("Missing mz-s found.")
}
}
df
}