R/beginTreatment.R

In PepsNMR: Pre-process 1H-NMR FID signals

beginTreatment <- function(name, Signal_data = NULL, Signal_info = NULL, 
                            force.real = FALSE, verbose = FALSE) {
 
  if (verbose == TRUE){
    cat("Begin", name, "\n")
  }
  
  
  
  # Formatting the Signal_data and Signal_info -----------------------
  
  vec <- is.vector(Signal_data)
  if (vec) {
    Signal_data <- vec2mat(Signal_data)
  }
  if (is.vector(Signal_info)) {
    Signal_info <- vec2mat(Signal_info)
  }
  if (!is.null(Signal_data)) {
    if (!is.matrix(Signal_data)) {
      stop("Signal_data is not a matrix.")
    }
    if (!is.complex(Signal_data) && !is.numeric(Signal_data)) {
      stop("Signal_data contains non-numerical values.")
    }
  }
  if (!is.null(Signal_info) && !is.matrix(Signal_info)) {
    stop("Signal_info is not a matrix.")
  }
  

  Original_data <- Signal_data
  
  # Extract the real part of the spectrum ---------------------------
  
  if (force.real) {
    if (is.complex(Signal_data)) {
      Signal_data <- Re(Signal_data)
    } else {
      # The signal is numeric Im(Signal_data) is zero anyway so let's avoid
      # using complex(real=...,imaginary=0) which would give a complex signal
      # in endTreatment()
      force.real <- FALSE
    }
  }
  
  
  # Return the formatted data and metadata entries --------------------
  
  return(list(start = proc.time(), vec = vec, force.real = force.real, 
    Original_data = Original_data, Signal_data = Signal_data, Signal_info = Signal_info))
}