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/rcdk/man/getatomdescnames.Rd

http://github.com/rajarshi/cdkr
Unknown | 30 lines | 29 code | 1 blank | 0 comment | 0 complexity | ee3a5713be3c1c69e50ebe9038682625 MD5 | raw file
  1. \name{get.atomic.desc.names}
  2. \alias{get.atomic.desc.names}
  3. \title{
  4. Get the names of the available atomic descriptors
  5. }
  6. \description{
  7. The CDK implements a number of descriptors divided into three main
  8. groups - atomic, molecular and bond. This method returns the names
  9. of the available atomic descriptors.
  10. }
  11. \usage{
  12. get.atomic.desc.names(type = "all")
  13. }
  14. \arguments{
  15. \item{type}{A string which can be one of
  16. "all", "topological", "geometrical" "hybrid", "constitutional",
  17. "electronic", allowing you to choose atomic descriptors of specific
  18. categories. The keyword "all" will return all available descriptors}
  19. }
  20. \value{
  21. A vector of fully qualified descriptor names.
  22. }
  23. \seealso{
  24. \code{\link{eval.atomic.desc}}
  25. \code{\link{get.desc.names}}
  26. \code{\link{eval.desc}}
  27. }
  28. \keyword{programming}
  29. \author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}