R/compModelMass.R

In glotaran/TIMP: Fitting Separable Nonlinear Models in Spectroscopy and Microscopy

"compModelMass" <-
  function(theta, model) {
    peakpar <- theta@peakpar
    amp <- theta@amplitudes
    if (model@extracomp) {
      if (length(amp) == 0) {
        eamp <- 1
      } else {
        eamp <- amp[length(amp)]
        amp <- amp[-length(amp)]
      }
    }
    shift <- theta@shift
    if (model@peakfunct == "expmodgaus") {
      fn1 <- function(x, ind) x[[ind]]
      lpp <- length(peakpar)
      locations <- unlist(lapply(peakpar, fn1, ind = 1))
      if (length(shift) != 0) {
        locations <- locations + shift
      }
      widths <- unlist(lapply(peakpar, fn1, ind = 2))
      rates <- unlist(lapply(peakpar, fn1, ind = 3))
      massm <- rep(0, model@nt * lpp)
      massm <- as.matrix(.C("r_calcCirf_multi",
        cmat = as.double(massm),
        as.double(rates), as.double(model@x),
        as.double(widths),
        as.double(locations),
        as.integer(lpp),
        as.integer(model@nt), PACKAGE = "TIMP"
      )$cmat)
      dim(massm) <- c(model@nt, lpp)
      if (length(amp) > 0) {
        massm <- massm %*% diag(amp)
      }
    }
    if (model@extracomp) {
      massm <- cbind(massm, rep(eamp, model@nt))
    }
    massm
  }