/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
- \name{cdkFormula-class}
- \docType{class}
- \alias{cdkFormula-class}
- \alias{show,cdkFormula-method}
- \title{Class cdkFormula, a class for handling molecular formula}
- \description{
- This class handles molecular formulae. It provides extra information
- such as the \code{IMolecularFormula} Java object, elements contained and
- number of them.
- }
- \section{Objects from the Class}{
- Objects can be created using \code{new}
- constructor and filled with a specific mass and window accuracy.
- }
- \note{
- No notes yet.
- }
- \seealso{
- \code{\link{get.formula}},
- \code{\link{set.charge.formula}},
- \code{\link{get.isotopes.pattern}},
- \code{\link{isvalid.formula}},
- }
- \keyword{classes}
- \author{Miguel Rojas-Cherto (\email{miguelrojasch@yahoo.es})}
- \references{
- A parallel effort to expand the Chemistry Development Kit:
- \url{http://cdk.sourceforge.net}
- }