cmf_kernel {conmolfields}R Documentation

Computation of the kernel that compares fields of two molecules

Description

Computation of the kernel that compares fields of two molecules

Usage

cmf_kernel(ft, mol1, mol2, alpha)

Arguments

ft
mol1
mol2
alpha

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(ft, mol1, mol2, alpha) {
  natoms1 <- length(mol1$atoms)
  natoms2 <- length(mol2$atoms)
  atomlist1 <- 1:natoms1
  atomlist2 <- 1:natoms2
  cmf_kernel_al(ft, mol1, mol2, alpha, atomlist1, atomlist2)
}

[Package conmolfields version 0.0-19 Index]