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