createRMolecule {Rchemcpp} | R Documentation

## createRMolecule

### Description

Creates an \"Rmolecule\" from an atom-vector and a bond-matrix

### Usage

      createRMolecule(atoms, bonds)

### Arguments

`atoms` | A vector containing the symbol names of all atoms in the molecule
`bonds` | A matrix with the same number of rows and columns as the atoms-vector containing the type of bonds between the atoms

### Value

an instance of "molecule"

### Author(s)

Michael Mahr <rchemcpp@bioinf.jku.at>

### Examples

    m <- createRMolecule(c("C","C"),matrix(c(0,3,3,0),nrow=2))

[Package Rchemcpp version 2.20.1 Index]