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 Details

    • 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.
  • Method Details