get.bond.order {rcdk}

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 ([e-mail])

Examples

## Not run: 
m <- parse.smiles('CCN')[[1]]
b <- get.bonds(m)[[1]]
b$setOrder(get.bond.order("double"))

## End(Not run)