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/rcdk/man/cdkFormula-class.Rd

http://github.com/rajarshi/cdkr
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}