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/rcdk/man/gethcount.Rd

http://github.com/rajarshi/cdkr
Unknown | 21 lines | 20 code | 1 blank | 0 comment | 0 complexity | 2af888d33068bccd27490d06e514e1a1 MD5 | raw file
    

  1. \name{get.total.hydrogen.count}
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  2. \alias{get.total.hydrogen.count}
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  3. \title{
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  4.   Get the Total Hydrogen Count for a Molecule
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  5. }
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  6. \description{
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  7.   The function will return the summed implicit hydrogens of all atoms in
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  8.   the specified  AtomContainer
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  9. }
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  10. \usage{
    11. 

  11. get.total.hydrogen.count(molecule)
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  12. }
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  13. \arguments{
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  14.   \item{molecule}{A Java object of class \code{IAtomContainer}}
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  15. }
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  16. \value{
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  17.   An integer value indicating the number of implicit hydrogens
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  18. }
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  19. \keyword{programming}
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  20. 

  21. \author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}
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  22.