get.bond.order: Get an object representing bond order

Description Usage Arguments Value Author(s) Examples

View source: R/bonds.R

Description

This function returns a Java enum representing a bond order. This can be used to modify the order of pre-existing bonds

Usage

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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

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## 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 Oct. 18, 2021, 1:07 a.m.