/// <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); } }
/// <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]); } }