cmf_indicator_kernel_matrix_pred: Indicator kernel matrix predictor

In conmolfields: Continuous molecular fields

Description

Indicator kernel matrix predictor

Usage

cmf_indicator_kernel_matrix_pred(mdb1, mdb2, alpha, syb_type, verbose=1) 

Arguments

mb1
mb2
alpha
syb_type
verbose	1

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
cmf_indicator_kernel_matrix_pred <- function(mdb1, mdb2, alpha, syb_type, verbose=1) {
  nmol1 <- length(mdb1)
  nmol2 <- length(mdb2)
  gram <- matrix(0, nmol1, nmol2)
  for (imol1 in 1:nmol1) {
    mol1 <- mdb1[[imol1]]
    for (imol2 in 1:nmol2) {
	  mol2 <- mdb2[[imol2]]
	  gram[imol1,imol2] <- cmf_indicator_kernel(mol1, mol2, alpha, syb_type)
	}
    if (verbose) {cat("."); flush.console()}
  }
  if (verbose) {cat("\n"); flush.console()}
  gram
}

conmolfields documentation built on May 2, 2019, 4:18 p.m.