is.connected: Tests whether the molecule is fully connected.
In rcdk: Interface to the 'CDK' Libraries
is.connected R Documentation
Tests whether the molecule is fully connected.
Description
A single molecule will be represented as a
complete graph.
In some cases, such as for molecules in salt form, or after certain
operations such as bond splits, the molecular graph may contained
disconnected components.
This method can be used to tested whether the molecule is complete (i.e. fully
connected).
Usage
is.connected(mol)
Arguments
mol
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'
Value
'TRUE' if molecule is complete, 'FALSE' otherwise
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
See Also
get.largest.component
Examples
m <- parse.smiles("CC.CCCCCC.CCCC")[[1]]
is.connected(m)
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| is.connected | R Documentation |
Tests whether the molecule is fully connected.
Description
A single molecule will be represented as a complete graph. In some cases, such as for molecules in salt form, or after certain operations such as bond splits, the molecular graph may contained disconnected components. This method can be used to tested whether the molecule is complete (i.e. fully connected).
Usage
is.connected(mol)
Arguments
mol |
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer' |
Value
'TRUE' if molecule is complete, 'FALSE' otherwise
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
See Also
get.largest.component
Examples
m <- parse.smiles("CC.CCCCCC.CCCC")[[1]]
is.connected(m)
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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