/rcdk/man/getatoms.Rd

http://github.com/rajarshi/cdkr · Unknown · 30 lines · 30 code · 0 blank · 0 comment · 0 complexity · ee7ad4f0c9312da08e971ab748a9bdb5 MD5 · raw file

  1. \name{get.atoms}
  2. \alias{get.atoms}
  3. \alias{get.atom.count}
  4. \title{
  5. Get the atoms from a molecule or bond
  6. }
  7. \description{
  8. This function returns a list containing \code{IAtom} objects
  9. from a molecule or a bond.
  10. }
  11. \usage{
  12. get.atoms(object)
  13. get.atom.count(molecule)
  14. }
  15. \arguments{
  16. \item{object}{A \code{jObjRef} representing an \code{IAtomContainer},
  17. \code{IMolecule} or \code{IBond} object}
  18. \item{molecule}{A \code{jobjRef} representing an \code{IAtomContainer}}
  19. }
  20. \value{
  21. A list containing \code{jobjRef}'s to a CDK \code{IAtom} object or else
  22. the number of atoms in the molecule
  23. }
  24. \keyword{programming}
  25. \seealso{
  26. \code{\link{get.bonds}},
  27. \code{\link{get.point3d}},
  28. \code{\link{get.symbol}}
  29. }
  30. \author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}