R/collisionintegral-class.R

In chapensk: Estimation of Gas Properties from the Lennard-Jones Potential

CollisionIntegral <- setRefClass("CollisionIntegral",
  fields = list(
    l = "integer",
    s = "integer",
    coeff = "data.frame",
    A = "numeric",
    B = "numeric",
    C = "numeric"
  ),
  methods = list(
    initialize = function(l, s) {
      l1 <- l
      s1 <- s
      coeff <<- subset(coefficients_collisionintegral, (l == l1) & (s == s1))
      stopifnot(nrow(coeff) == 1)
      A <<- coeff$A
      B <<- c(coeff$B1, coeff$B2, 0.1 * coeff$B3, 0.1 * coeff$B4, 0.01 * coeff$B5, 0.001 * coeff$B6)
      C <<- c(coeff$C1, 0.1 * coeff$C2, 0.1 * coeff$C3, 0.01 * coeff$C4, 0.001 * coeff$C5, 0.0001 * coeff$C6)
    },
    Omega = function(Theta) {
      stopifnot(Theta >= 0.3, Theta <= 400)
      sum <- A
      for (k in 1:6) {
        sum <- sum + B[k] / Theta^k + C[k] * log(Theta)^k
      }
      return <- sum
    }
  )
)