Пример #1
0
        /// <summary> Construct the edge short cycles for the
        ///  given initial cycles. </summary>
        public EdgeShortCycles(InitialCycles initialCycles)
        {
            int[][] graph  = initialCycles.Graph;
            int[]   sizeOf = new int[initialCycles.GetNumberOfEdges()];

            this.paths = new List <int[]>(initialCycles.GetNumberOfCycles());

            // cycles are returned ordered by length
            foreach (var cycle in initialCycles.GetCycles())
            {
                int   length = cycle.Length;
                int[] path   = cycle.Path;

                bool found = false;

                // check if any vertex is the shortest through a vertex in the path
                for (int i = 1; i < path.Length; i++)
                {
                    int idx = initialCycles.IndexOfEdge(path[i - 1], path[i]);
                    if (sizeOf[idx] < 1 || length <= sizeOf[idx])
                    {
                        found       = true;
                        sizeOf[idx] = length;
                    }
                }

                if (found)
                {
                    foreach (var p in cycle.GetFamily())
                    {
                        paths.Add(p);
                    }
                }
            }
        }
Пример #2
0
        /// <summary> Construct the vertex short cycles for the given initial cycles.</summary>
        public VertexShortCycles(InitialCycles initialCycles)
        {
            int[][] graph  = initialCycles.Graph;
            int[]   sizeOf = new int[graph.Length];

            this.paths = new List <int[]>(initialCycles.GetNumberOfCycles());

            // cycles are returned ordered by length
            foreach (var cycle in initialCycles.GetCycles())
            {
                int   length = cycle.Length;
                int[] path   = cycle.Path;

                bool found = false;

                // check if any vertex is the shortest through a vertex in the path
                foreach (var v in path)
                {
                    if (sizeOf[v] < 1 || length <= sizeOf[v])
                    {
                        found     = true;
                        sizeOf[v] = length;
                    }
                }

                if (found)
                {
                    foreach (var p in cycle.GetFamily())
                    {
                        paths.Add(p);
                    }
                }
            }
        }
Пример #3
0
        /// <summary>
        /// Generate the relevant cycle basis from a precomputed set of initial
        /// cycles.
        /// </summary>
        /// <param name="initial">set of initial cycles.</param>
        /// <exception cref="System.ArgumentNullException">null InitialCycles provided</exception>
        internal RelevantCycles(InitialCycles initial)
        {
            CheckNotNull(initial, nameof(initial), "No InitialCycles provided");

            this.basis = new GreedyBasis(initial.GetNumberOfCycles(), initial.GetNumberOfEdges());

            // processing by size add cycles which are independent of smaller cycles
            foreach (var length in initial.Lengths)
            {
                basis.AddAll(Independent(initial.GetCyclesOfLength(length)));
            }
        }
Пример #4
0
        /// <summary>
        /// Determine the essential cycles from a precomputed set of initial cycles
        /// and relevant cycles.
        /// </summary>
        /// <param name="relevant"></param>
        /// <param name="initial">a molecule graph</param>
        internal EssentialCycles(RelevantCycles relevant, InitialCycles initial)
        {
            CheckNotNull(relevant, nameof(relevant), "No RelevantCycles provided");
            this.initial   = CheckNotNull(initial, nameof(initial), "No InitialCycles provided");
            this.basis     = new GreedyBasis(initial.GetNumberOfCycles(), initial.GetNumberOfEdges());
            this.essential = new List <Cycle>();

            // for each cycle added to the basis, if it can be
            // replaced with one of equal size it is non-essential
            foreach (var cycles in GroupByLength(relevant))
            {
                foreach (var c in GetMembersOfBasis(cycles))
                {
                    if (IsEssential(c, cycles))
                    {
                        essential.Add(c);
                    }
                }
            }
        }
Пример #5
0
        /// <summary>
        /// Generate the minimum cycle basis from a precomputed set of initial
        /// cycles. This constructor allows on to specify that the graph is
        /// connected which allows an optimisation to be used.
        /// </summary>
        /// <param name="initial">set of initial cycles.</param>
        /// <param name="connected">the graph is known to be connected</param>
        /// <exception cref="System.ArgumentNullException">null InitialCycles provided</exception>
        internal MinimumCycleBasis(InitialCycles initial, bool connected)
        {
            CheckNotNull(initial, nameof(initial), "No InitialCycles provided");

            this.graph = initial.Graph;
            this.basis = new GreedyBasis(initial.GetNumberOfCycles(), initial.GetNumberOfEdges());

            // a undirected unweighted connected graph there are |E| - (|V| + 1)
            // cycles in the minimum basis
            int lim = connected ? initial.GetNumberOfEdges() - graph.Length + 1 : int.MaxValue;

            // processing by size add cycles which are independent of smaller cycles
            foreach (var cycle in initial.GetCycles())
            {
                if (basis.Count < lim && basis.IsIndependent(cycle))
                {
                    basis.Add(cycle);
                }
            }
        }
Пример #6
0
        public virtual void Bioconnected_simpleCycle_limit_6()
        {
            InitialCycles ic = InitialCycles.OfBiconnectedComponent(Cyclohexane, 6);

            Assert.AreEqual(1, ic.GetNumberOfCycles());
        }