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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
13  By default all available descriptor class names are
14  returned. However it is possible to specify that a subset of the
15  descriptors should be considered. The subset is specified by keyword
16  and can be one of: topological, geometrical,hybrid, constitutional,
17  protein, electronic.
18}
19\usage{
20get.desc.names(type = "all")
21}
22\arguments{
23	\item{type}{Indicates which subset of molecular descriptors
24  should be considered}
25}
26\value{
27  A character vector of descriptor class names
28}
29\seealso{
30\code{\link{eval.desc}}, \code{\link{get.desc.categories}}
31}
32\keyword{programming}
33
34\author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}