/rcdk/man/setchargeformula.Rd
http://github.com/rajarshi/cdkr · Unknown · 32 lines · 32 code · 0 blank · 0 comment · 0 complexity · ff7301906f2bb2b3b4ea51ba176fd80c MD5 · raw file
- \name{set.charge.formula}
- \alias{set.charge.formula}
- \title{
- Set the charge to a cdkFormula object.
- }
- \description{
- This function set the charge to a \code{cdkFormula} object.
- It modifies as the \code{IMolecularFormula} Java object as the
- its mass.
- }
- \usage{
- set.charge.formula(formula, charge=-1)
- }
- \arguments{
- \item{formula}{A \code{cdkFormula} object.}
- \item{charge}{The value of the charge to set.}
- }
- \value{
- Returns the formula object with the specified charge
- }
- \keyword{programming}
- \seealso{
- \code{\link{get.formula}},
- \code{\link{get.isotopes.pattern}},
- \code{\link{isvalid.formula}},
- \code{\link{generate.formula}}
- }
- \author{Miguel Rojas-Cherto (\email{miguelrojasch@yahoo.es})}
- \references{
- A parallel effort to expand the Chemistry Development Kit:
- \url{http://cdk.sourceforge.net}
- }