File: runit.bonds.R

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r-cran-rcdk 3.8.1%2Bdfsg-1
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test.bond.order <- function()
{
  m <- parse.smiles('CCN')[[1]]
  b <- get.bonds(m)[[1]]
  checkTrue(b$getOrder() == get.bond.order('single'))
  b$setOrder(get.bond.order("double"))
  checkTrue(b$getOrder() == get.bond.order('double'))
}