cmf_kernel_matrix_tp: Computation of the kernel matrix between the training and...
In conmolfields: Continuous molecular fields

Computation of the kernel matrix between the training and prediction sets

1	cmf_kernel_matrix_tp(ft, mdb1, mdb2, alpha, verbose)

`ft`
`mb1`
`mb2`
`alpha`
`verbose`	1

##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.

## The function is currently defined as
cmf_kernel_matrix_tp <- function(ft, mdb1, mdb2, alpha, verbose=1) {
  nmol1 <- length(mdb1)
  nmol2 <- length(mdb2)
  gram <- matrix(0, nmol1, nmol2)
  atomlists1 <- make_atom_lists(ft, mdb1)
  atomlists2 <- make_atom_lists(ft, mdb2)
  for (imol1 in 1:nmol1) {
    mol1 <- mdb1[[imol1]]
    for (imol2 in 1:nmol2) {
	  mol2 <- mdb2[[imol2]]
	  gram[imol1,imol2] <- cmf_kernel_al(ft, mol1, mol2, alpha, atomlists1[[imol1]], atomlists2[[imol2]])
	}
    if (verbose) {cat("."); flush.console()}
  }
  if (verbose) {cat("\n"); flush.console()}
  gram
}