/rcdk/man/getdescnames.Rd
Unknown | 34 lines | 32 code | 2 blank | 0 comment | 0 complexity | d576d044e94fcd729267d01d26566c60 MD5 | raw file
- \name{get.desc.names}
- \alias{get.desc.names}
- \title{
- Get Descriptor Class Names
- }
- \description{
- The CDK implements a number of descriptors divided into three main
- groups - atomic, molecular and bond. Currently the package will only
- evaluate molecular descriptors. This function returns the class
- names of the available descriptors, which can then be used to
- calculate descriptors for a specific molecule.
- By default all available descriptor class names are
- returned. However it is possible to specify that a subset of the
- descriptors should be considered. The subset is specified by keyword
- and can be one of: topological, geometrical,hybrid, constitutional,
- protein, electronic.
- }
- \usage{
- get.desc.names(type = "all")
- }
- \arguments{
- \item{type}{Indicates which subset of molecular descriptors
- should be considered}
- }
- \value{
- A character vector of descriptor class names
- }
- \seealso{
- \code{\link{eval.desc}}, \code{\link{get.desc.categories}}
- }
- \keyword{programming}
- \author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}