Class INChIContentProcessorTool


  • @Deprecated
    public class INChIContentProcessorTool
    extends Object
    Deprecated.
    Tool to help process INChI 1.12beta content.
    Source code:
    main
    Belongs to CDK module:
    extra
    • Constructor Detail

      • INChIContentProcessorTool

        public INChIContentProcessorTool()
        Deprecated.
    • Method Detail

      • processFormula

        public IAtomContainer processFormula​(IAtomContainer parsedContent,
                                             String atomsEncoding)
        Deprecated.
        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)
        Deprecated.
        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)