get.bond.order: Get an object representing bond order
In rcdk: Interface to the 'CDK' Libraries
get.bond.order R Documentation
Get an object representing bond order
Description
This function returns a Java enum representing a
bond order. This can be used to modify the order
of pre-existing bonds
Usage
get.bond.order(order = "single")
Arguments
order
A character vector that can be one of single, double, triple,
quadruple, quintuple, sextuple or unset. Case is ignored
Value
A jObjRef representing an 'Order' enum object
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
Examples
## Not run:
m <- parse.smiles('CCN')[[1]]
b <- get.bonds(m)[[1]]
b$setOrder(get.bond.order("double"))
## End(Not run)
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| get.bond.order | R Documentation |
Get an object representing bond order
Description
This function returns a Java enum representing a bond order. This can be used to modify the order of pre-existing bonds
Usage
get.bond.order(order = "single")
Arguments
order |
A character vector that can be one of single, double, triple, quadruple, quintuple, sextuple or unset. Case is ignored |
Value
A jObjRef representing an 'Order' enum object
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
Examples
## Not run:
m <- parse.smiles('CCN')[[1]]
b <- get.bonds(m)[[1]]
b$setOrder(get.bond.order("double"))
## End(Not run)
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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