org.openscience.cdk.io.inchi
Class INChIContentProcessorTool

java.lang.Object
  extended by org.openscience.cdk.io.inchi.INChIContentProcessorTool

public class INChIContentProcessorTool
extends Object

Tool to help process INChI 1.12beta content.

Belongs to CDK module:
extra
Source code:
HEAD

Constructor Summary
INChIContentProcessorTool()
           
 
Method Summary
 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
equals, 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)