Nothing
inst/unitTests/runit.bonds.R
In rcdk: Interface to the 'CDK' Libraries
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$getOrder() == get.bond.order('double'))
}
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rcdk documentation built on July 9, 2023, 7:27 p.m.
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test.bond.order <- function()
{
m <- parse.smiles('CCN')[[1]]
b <- get.bonds(m)[[1]]
checkTrue(b$getOrder() == get.bond.order('single'))
b$setOrder(get.bond.order("double"))
checkTrue(b$getOrder() == get.bond.order('double'))
}
Try the rcdk package in your browser
Any scripts or data that you put into this service are public.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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