/// <summary> Finds a Smallest Set of Smallest Rings. /// The returned set is not uniquely defined. /// /// </summary> /// <deprecated> replaced by {@link #findSSSR()} /// </deprecated> /// <param name="ac">the molecule to be searched for rings /// </param> /// <returns> a RingSet containing the SSSR /// </returns> static public IRingSet findSSSR(IAtomContainer ac) { UndirectedGraph molGraph = MoleculeGraphs.getMoleculeGraph(ac); CycleBasis.CycleBasis cycleBasis = new CycleBasis.CycleBasis(molGraph); return(toRingSet(ac, cycleBasis.cycles())); }
private CycleBasis.CycleBasis cycleBasis() { if (cycleBasis_Renamed_Field == null) { UndirectedGraph molGraph = MoleculeGraphs.getMoleculeGraph(atomContainer); cycleBasis_Renamed_Field = new CycleBasis.CycleBasis(molGraph); } return(cycleBasis_Renamed_Field); }
private CycleBasis.CycleBasis cycleBasis() { if (cycleBasis_Renamed_Field == null) { UndirectedGraph molGraph = MoleculeGraphs.getMoleculeGraph(atomContainer); cycleBasis_Renamed_Field = new CycleBasis.CycleBasis(molGraph); } return cycleBasis_Renamed_Field; }
/// <summary> Finds a Smallest Set of Smallest Rings. /// The returned set is not uniquely defined. /// /// </summary> /// <deprecated> replaced by {@link #findSSSR()} /// </deprecated> /// <param name="ac">the molecule to be searched for rings /// </param> /// <returns> a RingSet containing the SSSR /// </returns> static public IRingSet findSSSR(IAtomContainer ac) { UndirectedGraph molGraph = MoleculeGraphs.getMoleculeGraph(ac); CycleBasis.CycleBasis cycleBasis = new CycleBasis.CycleBasis(molGraph); return toRingSet(ac, cycleBasis.cycles()); }