/rcdk/man/getformula.Rd
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1\name{get.formula} 2\alias{get.formula} 3\title{ 4 Get the formula object from a formula character. 5} 6\description{ 7 This function returns a formula object containing mass, 8 string character and isotopes when is given a character/string 9 formula. 10} 11\usage{ 12get.formula(mf, charge=0) 13} 14\arguments{ 15 \item{mf}{A string containing the formula of the molecular formula of chemical object.} 16 \item{charge}{The charge of the molecular formula.} 17} 18\value{ 19 Objects of class \code{cdkFormula}, from the \code{IMolecularFormula} package 20} 21\examples{ 22formula <- get.formula('NH4', charge = 1) 23formula 24} 25\keyword{programming} 26\seealso{ 27 \code{\link{set.charge.formula}}, 28 \code{\link{get.isotopes.pattern}}, 29 \code{\link{isvalid.formula}}, 30 \code{\link{generate.formula}} 31} 32\author{Miguel Rojas-Cherto (\email{miguelrojasch@yahoo.es})} 33\references{ 34 A parallel effort to expand the Chemistry Development Kit: 35 \url{http://cdk.sourceforge.net} 36}