Generate atom lists for continuous indicator field

gen_atomlists_ind(mdb, field)

Arguments

mdb

field

Details

Value

References

Note

See also

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, field) { nmols <- length(mdb) atomlists <- list() for (imol in 1:nmols) { mol <- mdb[[imol]] natoms <- length(mol$atoms) al <- list() for (iatom in 1:natoms) { atom <- mol$atoms[[iatom]] if (atom$syb == field) al <- c(al, iatom) } atomlists[[imol]] <- al } atomlists }
#> function (mdb, field) #> { #> nmols <- length(mdb) #> atomlists <- list() #> for (imol in 1:nmols) { #> mol <- mdb[[imol]] #> natoms <- length(mol$atoms) #> al <- list() #> for (iatom in 1:natoms) { #> atom <- mol$atoms[[iatom]] #> if (atom$syb == field) #> al <- c(al, iatom) #> } #> atomlists[[imol]] <- al #> } #> atomlists #> } #> <environment: 0x10a7f79c0>