/rcdk/man/getprops.Rd
Unknown | 33 lines | 33 code | 0 blank | 0 comment | 0 complexity | ace272ff2531107823c1418fa0e2a2a7 MD5 | raw file
1\name{get.properties} 2\alias{get.properties} 3\title{ 4Get All Property Values of a Molecule 5} 6\description{ 7 Returns a list of all the properties of a molecule. The names 8 of the list are set to the property names 9} 10\usage{ 11get.properties(molecule) 12} 13\arguments{ 14 \item{molecule}{A Java object of class \code{IAtomContainer} or \code{IMolecule}} 15} 16\value{ 17A list of the property values, with names equal to the property 18names. NULL property values are returned as NA 19} 20\examples{ 21smiles <- 'c1ccccc1' 22mol <- parse.smiles(smiles)[[1]] 23set.property(mol, 'prop1', 23.45) 24set.property(mol, 'prop2', 'inactive') 25get.properties(mol) 26} 27\keyword{programming} 28\seealso{ 29 \code{\link{get.property}}, 30 \code{\link{set.property}}, 31 \code{\link{remove.property}} 32} 33\author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}