is.connected

A single molecule will be represented as a 
<a href="https://en.wikipedia.org/wiki/Complete_graph">complete</a> graph. 
In some cases, such as for molecules in salt form, or after certain 
operations such as bond splits, the molecular graph may contained 
<a href="http://mathworld.wolfram.com/DisconnectedGraph.html">disconnected components</a>.
This method can be used to tested whether the molecule is complete (i.e. fully
connected).

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. This allows the user to load
molecules, evaluate fingerprints, calculate molecular descriptors and so on.
In addition, the 'CDK' API allows the user to view structures in 2D.

Zachary CharlopPowers

rcdk

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

is.connected function

<dl><dt>mol</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd></dl>

Arguments

Rajarshi Guha (<a href="/link/rajarshi.guha%40gmail.com?package=rcdk&version=3.8.1" data-mini-rdoc="rcdk::rajarshi.guha@gmail.com">rajarshi.guha@gmail.com</a>)

Author

A single molecule will be represented as a 
<a href='https://en.wikipedia.org/wiki/Complete_graph'>complete</a> graph. 
In some cases, such as for molecules in salt form, or after certain 
operations such as bond splits, the molecular graph may contained 
<a href='http://mathworld.wolfram.com/DisconnectedGraph.html'>disconnected components</a>.
This method can be used to tested whether the molecule is complete (i.e. fully
connected).

Tests whether the molecule is fully connected. — is.connected

<dl>

<dt>mol</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd>

</dl>

Rajarshi Guha (<a href='mailto:rajarshi.guha@gmail.com'>rajarshi.guha@gmail.com</a>)

is.connected: Tests whether the molecule is fully connected.

Description

Usage

Value

Arguments

Author

See Also

Examples