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/rcdk/man/getdescnames.Rd

http://github.com/rajarshi/cdkr
Unknown | 34 lines | 32 code | 2 blank | 0 comment | 0 complexity | d576d044e94fcd729267d01d26566c60 MD5 | raw file
  1. \name{get.desc.names}
  2. \alias{get.desc.names}
  3. \title{
  4. Get Descriptor Class Names
  5. }
  6. \description{
  7. The CDK implements a number of descriptors divided into three main
  8. groups - atomic, molecular and bond. Currently the package will only
  9. evaluate molecular descriptors. This function returns the class
  10. names of the available descriptors, which can then be used to
  11. calculate descriptors for a specific molecule.
  12. By default all available descriptor class names are
  13. returned. However it is possible to specify that a subset of the
  14. descriptors should be considered. The subset is specified by keyword
  15. and can be one of: topological, geometrical,hybrid, constitutional,
  16. protein, electronic.
  17. }
  18. \usage{
  19. get.desc.names(type = "all")
  20. }
  21. \arguments{
  22. \item{type}{Indicates which subset of molecular descriptors
  23. should be considered}
  24. }
  25. \value{
  26. A character vector of descriptor class names
  27. }
  28. \seealso{
  29. \code{\link{eval.desc}}, \code{\link{get.desc.categories}}
  30. }
  31. \keyword{programming}
  32. \author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}