gen_atomlists_generic {conmolfields} | R Documentation |
Generate atom lists for generic molecular field
Description
Generate atom lists for generic molecular field
Usage
gen_atomlists_generic(mdb)
Arguments
Examples
##---- Should be DIRECTLY executable !! ----
##-- ==> Define data, use random,
##-- or do help(data=index) for the standard data sets.
## The function is currently defined as
function (mdb)
{
nmols <- length(mdb)
atomlists <- list()
for (imol in 1:nmols) {
mol <- mdb[[imol]]
natoms <- length(mol$atoms)
atomlists[[imol]] <- 1:natoms
}
atomlists
}
[Package
conmolfields version 0.0-19
Index]