Class SgroupManipulator

java.lang.Object
org.openscience.cdk.tools.manipulator.SgroupManipulator

public final class SgroupManipulator extends Object
Utilities related to Ctab Sgroups.
  • Method Details

    • copy

      public static List<Sgroup> copy(Collection<Sgroup> sgroups, Map<? extends IChemObject,? extends IChemObject> replace)
      Copy a collection of Sgroups, replacing any IAtom/IBond references with those present in the provided 'replace' map. If an empty replace map is provided (null or empty) the sgroups are simply duplicated. If an item is not present in the replacement map the original item is preserved.
      
       Map<IChemObject,IChemObject> replace = new HashMap<>();
       replace.put(orgAtom, newAtom);
       replace.put(orgBond, newBond);
       newSgroups = copy(orgSgroups, replace);
       
      Parameters:
      sgroups - collection of sgroups, can be null
      replace - the replacement map, can be null
      Returns:
      list of copied sgroups, null if sgroups input was null