Package org.openscience.cdk.smsd.helper

Class FinalMappings

java.lang.Object
org.openscience.cdk.smsd.helper.FinalMappings
All Implemented Interfaces:
IFinalMapping
@Deprecated public class FinalMappings extends Object implements IFinalMapping
Deprecated.
SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.
Class that stores raw mapping(s) after each algorithm is executed.
Author:
Syed Asad Rahman <asad@ebi.ac.uk>
Source code:
main
Belongs to CDK module:
smsd

  • Constructor Details

    • FinalMappings

      protected FinalMappings()
      Deprecated.

  • Method Details

    • getInstance

      public static FinalMappings getInstance()
      Deprecated.
      Stores mapping solutions
      Returns:
      instance of this object

    • add

      public void add(Map<Integer,Integer> mapping)
      Deprecated.
      Adds mapping to the mapping list
      Specified by:
      add in interface IFinalMapping
      Parameters:
      mapping - List of all MCS mapping between a given reactant and product

    • set

      public final void set(List<Map<Integer,Integer>> list)
      Deprecated.
      Sets mapping list
      Specified by:
      set in interface IFinalMapping
      Parameters:
      list - list of mappings

    • getIterator

      public Iterator<Map<Integer,Integer>> getIterator()
      Deprecated.
      Returns a mapping Iterator
      Specified by:
      getIterator in interface IFinalMapping
      Returns:
      Iterator of mappings

    • clear

      public void clear()
      Deprecated.
      clear the mapping
      Specified by:
      clear in interface IFinalMapping

    • getFinalMapping

      public List<Map<Integer,Integer>> getFinalMapping()
      Deprecated.
      Returns the stored mappings
      Specified by:
      getFinalMapping in interface IFinalMapping
      Returns:
      get of MCS mapping List

    • getSize

      public int getSize()
      Deprecated.
      Returns number of stored mappings
      Specified by:
      getSize in interface IFinalMapping
      Returns:
      size of the mapping