/rcdk/man/cdkFormula-class.Rd
Unknown | 31 lines | 29 code | 2 blank | 0 comment | 0 complexity | a3fceb904be63a519041ebbd8cbe1def MD5 | raw file
1\name{cdkFormula-class} 2\docType{class} 3\alias{cdkFormula-class} 4\alias{show,cdkFormula-method} 5 6\title{Class cdkFormula, a class for handling molecular formula} 7\description{ 8 This class handles molecular formulae. It provides extra information 9 such as the \code{IMolecularFormula} Java object, elements contained and 10 number of them. 11} 12\section{Objects from the Class}{ 13 Objects can be created using \code{new} 14 constructor and filled with a specific mass and window accuracy. 15} 16\note{ 17 No notes yet. 18} 19 20\seealso{ 21 \code{\link{get.formula}}, 22 \code{\link{set.charge.formula}}, 23 \code{\link{get.isotopes.pattern}}, 24 \code{\link{isvalid.formula}}, 25} 26\keyword{classes} 27\author{Miguel Rojas-Cherto (\email{miguelrojasch@yahoo.es})} 28\references{ 29 A parallel effort to expand the Chemistry Development Kit: 30 \url{http://cdk.sourceforge.net} 31}