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/rcdk/man/setchargeformula.Rd

http://github.com/rajarshi/cdkr
Unknown | 32 lines | 32 code | 0 blank | 0 comment | 0 complexity | ff7301906f2bb2b3b4ea51ba176fd80c MD5 | raw file
 1\name{set.charge.formula}
 2\alias{set.charge.formula}
 3\title{
 4	Set the charge to a cdkFormula object.
 5}
 6\description{
 7	This function set the charge to a \code{cdkFormula} object.
 8	It modifies as the \code{IMolecularFormula} Java object as the 
 9	its mass.
10}
11\usage{
12set.charge.formula(formula, charge=-1)
13}
14\arguments{
15  \item{formula}{A \code{cdkFormula} object.}
16  \item{charge}{The value of the charge to set.}
17 }
18\value{
19Returns the formula object with the specified charge
20}
21\keyword{programming}
22\seealso{
23  \code{\link{get.formula}},
24  \code{\link{get.isotopes.pattern}},
25  \code{\link{isvalid.formula}},
26  \code{\link{generate.formula}}
27}
28\author{Miguel Rojas-Cherto (\email{miguelrojasch@yahoo.es})}
29\references{
30  A parallel effort to expand the Chemistry Development Kit:
31  \url{http://cdk.sourceforge.net}
32}