Package com.actelion.research.chem.mmp

Class MMP

  • public class MMP
extends java.lang.Object

    • Nested Class Summary

      Nested Classes 
      Modifier and Type Class Description
      static class  MMP.MoleculeIndex  

    • Constructor Summary

      Constructors 
      Constructor Description
      MMP​(java.lang.String datasetName, CompoundFileParser compoundFileParser, boolean verbose)
      Generates a hash table of keys - list of values;
      for double cuts, one key consists of a '\t'-separated string
      of the two 'left' and 'right' fragmentsID.

    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      void writeMMPFile​(java.io.PrintWriter printWriter)
      Writes the header (general information) block and calls the writing of the different blocks

      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

    • Constructor Detail

      • MMP

        public MMP​(java.lang.String datasetName,
           CompoundFileParser compoundFileParser,
           boolean verbose)
    throws java.io.IOException
        Generates a hash table of keys - list of values;
        for double cuts, one key consists of a '\t'-separated string
        of the two 'left' and 'right' fragmentsID.
        Parameters:
        datasetName - Name of the data set
        compoundFileParser - Compound File Parser (SD Reader, database link, ...)
        verbose - Verbose
        Throws:
        java.io.IOException

    • Method Detail

      • writeMMPFile

        public void writeMMPFile​(java.io.PrintWriter printWriter)
                  throws java.io.IOException
        Writes the header (general information) block and calls the writing of the different blocks
        Parameters:
        printWriter -
        Throws:
        java.io.IOException