createRMolecule {Rchemcpp} | R Documentation |
Creates an \"Rmolecule\" from an atom-vector and a bond-matrix
createRMolecule(atoms, bonds)
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 |
an instance of "molecule"
Michael Mahr <rchemcpp@bioinf.jku.at>
m <- createRMolecule(c("C","C"),matrix(c(0,3,3,0),nrow=2))