man-roxygen/tp_gen-sim.R

In rickhelmus/patRoon: Workflows for Mass-Spectrometry Based Non-Target Analysis

#' @param calcSims If set to \code{TRUE} then structural similarities between the parent and its TPs are calculated. A
#'   minimum similarity can be obtained by using the \link[=filter,transformationProductsStructure-method]{filter
#'   method}. May be useful under the assumption that parents and TPs who have a high structural similarity, also likely
#'   have a high MS/MS spectral similarity (which can be evaluated after componentization with
#'   \code{\link{generateComponentsTPs}}).
#' 
#' @references \addCitations{rcdk}