read.fes:

In sucurz/testing: Metadynminer reads, analyses and visualizes metadynamics HILLS files from Plumed.

Usage

read.fes(filename, dimension = 2, per = c(TRUE, TRUE))

Arguments

filename
dimension
per

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 (filename, dimension = 2, per = c(TRUE, TRUE)) 
{
    ifile <- read.table(filename)
    rows <- sqrt(nrow(ifile))
    fes <- matrix(ifile[, 3], nrow = rows)
    fes <- max(fes) - fes
    x <- min(ifile[, 1]) + (max(ifile[, 1]) - min(ifile[, 1])) * 
        0:(rows - 1)/(rows - 1)
    y <- min(ifile[, 2]) + (max(ifile[, 2]) - min(ifile[, 2])) * 
        0:(rows - 1)/(rows - 1)
    cfes <- list(fes = fes, rows = rows, dimension = dimension, 
        per = per, x = x, y = y)
    class(cfes) <- "fes"
    return(cfes)
  }

sucurz/testing documentation built on May 29, 2019, 9:51 a.m.