Molecule.hh

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#ifndef GGL_CHEM_MOLECULE_HH_
#define GGL_CHEM_MOLECULE_HH_

#include "ggl/Graph.hh"
#include "sgm/Graph_boost.hh"
#include "sgm/Graph_boostV_p.hh"
    
namespace ggl {
  namespace chem {


      //! This boost graph property is used to determine the index of a given
      //! atom node along the iterator order.
    typedef ggl::PropNodeIndex  PropNodeIndex;

      //! Vector of node indices
    typedef ggl::NodeIndexVec NodeIndexVec;

      //! Set of node indices
    typedef ggl::NodeIndexSet NodeIndexSet;

      //! This boost graph property is used to determine the label of a given
      //! atom node.
    typedef ggl::PropNodeLabel  PropNodeLabel;

      //! This boost graph property is used to determine the label of a given
      //! bond edge.
    typedef ggl::PropEdgeLabel  PropEdgeLabel;


      //! The boost properties stored for an atom in a molecule
      //!
      //! @author Martin Mann (c) 2008 http://www.bioinf.uni-freiburg.de/~mmann/
      //!
    typedef ggl::Graph_NodeProperties Molecule_AtomProperties;
    
      //! The boost properties stored for a bond in a molecule
      //!
      //! @author Martin Mann (c) 2008 http://www.bioinf.uni-freiburg.de/~mmann/
      //!
    typedef ggl::Graph_EdgeProperties Molecule_BondProperties;
    
      //! The boost graph based molecule representation of atoms and bonds
      //!
      //! @author Martin Mann (c) 2008 http://www.bioinf.uni-freiburg.de/~mmann/
      //!
    typedef ggl::Graph Molecule;


      //! Wrapper typedef to use a Molecule within the SGM Graph_Interface
    typedef sgm::Graph_boost< Molecule
                            , PropNodeLabel
                            , PropEdgeLabel
                            , PropNodeIndex >   Molecule_Graph;


      //! Wrapper typedef to use a vector of Molecule objects within the
      //! SGM Graph_Interface
    typedef sgm::Graph_boostV_p< Molecule
                            , PropNodeLabel
                            , PropEdgeLabel
                            , PropNodeIndex >   Molecule_Graph_V;
  
  }
}

#endif /*MOLECULE_HH_*/