Class INChIContentProcessorTool

java.lang.Object
org.openscience.cdk.io.inchi.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 Details

    • INChIContentProcessorTool

      public INChIContentProcessorTool()
      Deprecated.
  • Method Details

    • 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: