Package org.openscience.cdk.io

Class MoSSOutputReader

  • All Implemented Interfaces:
    Closeable, AutoCloseable, IChemObjectIO, IChemObjectReader, ISimpleChemObjectReader
    public class MoSSOutputReader
extends DefaultChemObjectReader
    Reader for MoSS output files [Unknown BibTeXML type: BOR2002] which present the results of a substructure mining study. These files look like: 
     id,description,nodes,edges,s_abs,s_rel,c_abs,c_rel
 1,S-c:c:c:c:c:c,7,6,491,5.055081,5,1.7421603
 2,S-c:c:c:c:c,6,5,493,5.0756717,5,1.7421603

    Caution: the output contains substructures, not full molecules, even though they are read as such right now.

    Source code:
    main
    Belongs to CDK module:
    smiles
    Keywords:
    MoSS

    • Constructor Detail

      • MoSSOutputReader

        public MoSSOutputReader​(Reader input)
        Create a reader for MoSS output files from a Reader.
        Parameters:
        input - source of CIF data

      • MoSSOutputReader

        public MoSSOutputReader​(InputStream input)
        Create a reader for MoSS output files from an InputStream.
        Parameters:
        input - source of CIF data

      • MoSSOutputReader

        public MoSSOutputReader()
        Create a reader for MoSS output files from an empty string.