Exemple #1
0
 /// <summary>  Returns all subgraph 'atom mappings' found for g2 in g1.
 /// This is an ArrayList of ArrayLists of RMap objects.
 ///
 /// </summary>
 /// <param name="g1"> first AtomContainer
 /// </param>
 /// <param name="g2"> second AtomContainer
 /// </param>
 /// <returns>     all subgraph atom mappings found projected on g1. This is a List of RMap objects containing Ids of matching atoms.
 /// </returns>
 public static System.Collections.IList getSubgraphAtomsMaps(IAtomContainer g1, IAtomContainer g2)
 {
     System.Collections.ArrayList list = checkSingleAtomCases(g1, g2);
     if (list == null)
     {
         return(makeAtomsMapsOfBondsMaps(UniversalIsomorphismTester.getSubgraphMaps(g1, g2), g1, g2));
     }
     else
     {
         return(list);
     }
 }
Exemple #2
0
 /// <summary>  Returns the first isomorph 'atom mapping' found for g2 in g1.
 ///
 /// </summary>
 /// <param name="g1"> first molecule
 /// </param>
 /// <param name="g2"> second molecule
 /// </param>
 /// <returns>     the first isomorph atom mapping found projected on g1. This is a List of RMap objects containing Ids of matching atoms.
 /// </returns>
 public static System.Collections.IList getIsomorphAtomsMap(IAtomContainer g1, IAtomContainer g2)
 {
     System.Collections.ArrayList list = checkSingleAtomCases(g1, g2);
     if (list == null)
     {
         return(makeAtomsMapOfBondsMap(UniversalIsomorphismTester.getIsomorphMap(g1, g2), g1, g2));
     }
     else if ((list.Count == 0))
     {
         return(null);
     }
     else
     {
         return((System.Collections.IList)list[0]);
     }
 }