R/CHECKING-check_smiles.R

In NIVANorge/chemspiderapi: R Wrapper for ChemSpider's API Services

.check_smiles <- function(smiles) {
  
  if (is.null(smiles)) {
    stop("No \"smiles\" provided.", 
         call. = FALSE)
  }
  
  if (length(smiles) > 1) {
    stop("This function can only handle a single \"smiles\" entry.\nFor functional programming, try using it in apply() or purrr::map().", 
         call. = FALSE)
  }
  
  if (!is.character(smiles)) {
    stop("The provided \"smiles\" is not a character vector.", 
         call. = FALSE)
  }
  
  if (tolower(substr(x = smiles, start = 1L, stop = 6L)) == tolower("InChI=")) {
    stop("The provided \"smiles\" seems to be an InChI string.", 
         call. = FALSE)
  }

}