/rcdk/man/getisotopepattern.Rd
http://github.com/rajarshi/cdkr · Unknown · 32 lines · 32 code · 0 blank · 0 comment · 0 complexity · 2aaebbd8bef0a24e8925c0499c779563 MD5 · raw file
- \name{get.isotopes.pattern}
- \alias{get.isotopes.pattern}
- \title{
- Generate the isotope pattern.
- }
- \description{
- This function get the isotope pattern given a \code{cdkFormula} object.
- It modifies as the \code{IMolecularFormula} Java object as the
- its mass.
- }
- \usage{
- get.isotopes.pattern(formula,minAbund=0.1)
- }
- \arguments{
- \item{formula}{A \code{cdkFormula} object.}
- \item{minAbund}{Minimal abundance of the isotopes to be added in the combinatorial search.}
- }
- \value{
- Objects of class IsotopePatternGenerator, from the \code{IMolecularFormula} package
- }
- \keyword{programming}
- \seealso{
- \code{\link{get.formula}},
- \code{\link{set.charge.formula}},
- \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}
- }