graph.h

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/*
 *            Copyright 2009-2020 The VOTCA Development Team
 *                       (http://www.votca.org)
 *
 *      Licensed under the Apache License, Version 2.0 (the "License")
 *
 * You may not use this file except in compliance with the License.
 * You may obtain a copy of the License at
 *
 *              http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 *
 */
 
#ifndef VOTCA_TOOLS_GRAPH_H
#define VOTCA_TOOLS_GRAPH_H
 
// Standard includes
#include <string>
#include <unordered_map>
#include <utility>
#include <vector>
 
// Local VOTCA includes
#include "edgecontainer.h"
#include "graphnode.h"
 
namespace votca {
namespace tools {
 
class GraphNode;
 
class Graph {
 protected:
  EdgeContainer edge_container_;
 
  std::unordered_map<Index, GraphNode> nodes_;
 
  std::string id_;
 
 protected:
  void calcId_();
 
 public:
  Graph() : id_("") {};
  virtual ~Graph() = default;
  Graph(std::vector<Edge> edges, std::unordered_map<Index, GraphNode> nodes);
 
  bool operator!=(const Graph& graph) const;
  bool operator==(const Graph& graph) const;
 
  std::vector<std::pair<Index, GraphNode>> getIsolatedNodes(void) const;
 
  std::vector<std::pair<Index, GraphNode>> getNeighNodes(Index vertex) const;
 
  void setNode(Index vertex, GraphNode& graph_node);
  void setNode(std::pair<Index, GraphNode>& id_and_node);
 
  std::vector<Index> getJunctions() const;
 
  GraphNode getNode(const Index vertex) const;
 
  virtual std::vector<std::pair<Index, GraphNode>> getNodes() const;
 
  std::vector<Index> getNeighVertices(Index vertex) const {
    return edge_container_.getNeighVertices(vertex);
  }
 
  std::string getId() const { return id_; }
 
  virtual std::vector<Edge> getEdges() { return edge_container_.getEdges(); }
 
  std::vector<Edge> getNeighEdges(Index vertex) const {
    return edge_container_.getNeighEdges(vertex);
  }
 
  std::vector<Index> getVertices() const;
 
  Index getMaxDegree() const { return edge_container_.getMaxDegree(); }
 
  Index getDegree(Index vertex) const;
 
  virtual std::vector<Index> getVerticesDegree(Index degree) const;
 
  bool vertexExist(Index vertex) const;
 
  virtual bool edgeExist(const Edge& edge) const {
    return edge_container_.edgeExist(edge);
  }
 
  void clearNodes();
  void copyNodes(Graph& graph);
 
  friend std::ostream& operator<<(std::ostream& os, const Graph graph);
};
 
bool cmpVertNodePair(const std::pair<Index, GraphNode>& id_and_node1,
                     const std::pair<Index, GraphNode>& id_and_node2);
}  // namespace tools
}  // namespace votca
#endif  // VOTCA_TOOLS_GRAPH_H