createRMolecule: createRMolecule
In Rchemcpp: Similarity measures for chemical compounds
Description
Usage
Arguments
Value
Author(s)
Examples
Description
Creates an \"Rmolecule\" from an atom-vector and a
bond-matrix
Usage
1
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
1
m <- createRMolecule(c("C","C"),matrix(c(0,3,3,0),nrow=2))
Rchemcpp documentation built on May 6, 2019, 4:58 a.m.
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Description Usage Arguments Value Author(s) Examples
Description
Creates an \"Rmolecule\" from an atom-vector and a bond-matrix
Usage
1 | 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
1 | m <- createRMolecule(c("C","C"),matrix(c(0,3,3,0),nrow=2))
|
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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