Perturbate molecular database
pert_mdb(mdb, tcoef = 10)
mdb | |
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tcoef |
##---- 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, tcoef = 10) { ncomp <- length(mdb) mdb_p <- list() for (imol in 1:ncomp) { mol <- mdb[[imol]] mol_p <- pert_mol(mol, tcoef) mdb_p[[imol]] <- mol_p } mdb_p }#> function (mdb, tcoef = 10) #> { #> ncomp <- length(mdb) #> mdb_p <- list() #> for (imol in 1:ncomp) { #> mol <- mdb[[imol]] #> mol_p <- pert_mol(mol, tcoef) #> mdb_p[[imol]] <- mol_p #> } #> mdb_p #> } #> <environment: 0x1114c1068>