org.openscience.cdk.io.inchi

Class INChIContentProcessorTool

java.lang.Object

org.openscience.cdk.io.inchi.INChIContentProcessorTool

public class INChIContentProcessorTool
extends Object

Tool to help process INChI 1.12beta content.

Source code:

master

Belongs to CDK module:

extra

Constructor Summary

Constructors

Constructor and Description
INChIContentProcessorTool()

Method Summary

Methods

Modifier and Type	Method and Description
void	processConnections(String bondsEncoding, IAtomContainer container, int source) Processes the content from the connections field of the INChI.
IAtomContainer	processFormula(IAtomContainer parsedContent, String atomsEncoding) Processes the content from the formula field of the INChI.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

INChIContentProcessorTool

public INChIContentProcessorTool()

Method Detail

processFormula

public IAtomContainer processFormula(IAtomContainer parsedContent,
                            String atomsEncoding)

Processes the content from the formula field of the INChI. Typical values look like C6H6, from INChI=1.12Beta/C6H6/c1-2-4-6-5-3-1/h1-6H.

processConnections

public void processConnections(String bondsEncoding,
                      IAtomContainer container,
                      int source)

Processes the content from the connections field of the INChI. Typical values look like 1-2-4-6-5-3-1, from INChI=1.12Beta/C6H6/c1-2-4-6-5-3-1/h1-6H.

Parameters:

bondsEncoding - the content of the INChI connections field

container - the atomContainer parsed from the formula field

source - the atom to build the path upon. If -1, then start new path

See Also:

processFormula(org.openscience.cdk.interfaces.IAtomContainer, java.lang.String)