solventAccessibleSurface.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//

#ifndef BALL_STRUCTURE_SOLVENTACCESSIBLESURFACE_H
#define BALL_STRUCTURE_SOLVENTACCESSIBLESURFACE_H

#ifndef BALL_STRUCTURE_SASEDGE_H
# include <BALL/STRUCTURE/SASEdge.h>
#endif

#ifndef BALL_STRUCTURE_SASFACE_H
# include <BALL/STRUCTURE/SASFace.h>
#endif

#ifndef BALL_STRUCTURE_SASVERTEX_H
# include <BALL/STRUCTURE/SASVertex.h>
#endif

#ifndef BALL_STRUCTURE_REDUCEDSURFACE_H
# include <BALL/STRUCTURE/reducedSurface.h>
#endif

#ifndef BALL_MATHS_SPHERE3_H
# include <BALL/MATHS/sphere3.h>
#endif

#include <vector>

namespace BALL
{
  class TriangulatedSAS;
  class SASTriangulator;

  class BALL_EXPORT SolventAccessibleSurface
  {
    public:

    friend class TriangulatedSAS;
    friend class SASTriangulator;

    BALL_CREATE(SolventAccessibleSurface)

    
    
    
    SolventAccessibleSurface();

    SolventAccessibleSurface(const SolventAccessibleSurface& sas, bool = false);

    SolventAccessibleSurface(ReducedSurface* reduced_surface);

    virtual ~SolventAccessibleSurface();


    
    void setVertex(SASVertex* vertex, Position i)
      throw(Exception::IndexOverflow);

    SASVertex* getVertex(Position i) const
      throw(Exception::IndexOverflow);

    Size numberOfVertices() const;
    
    void setEdge(SASEdge* edge, Position i)
      throw(Exception::IndexOverflow);

    SASEdge* getEdge(Position i) const
      throw(Exception::IndexOverflow);

    Size numberOfEdges() const;
    
    void setFace(SASFace* face, Position i)
      throw(Exception::IndexOverflow);

    SASFace* getFace(Position i) const
      throw(Exception::IndexOverflow);

    Size numberOfFaces() const;

    void setRS(ReducedSurface* rs);

    ReducedSurface* getRS() const;

    void clear();

    void compute();


    private:

    /*_ @name SAS computation (private)
    */

    void preProcessing();

    void get();

    void createFace(Position j);
    void createVertex(Position j);
    void createEdge(Position j);



    protected:

    Position number_of_vertices_;

    ::std::vector<SASVertex*> vertices_;

    Position number_of_edges_;

    ::std::vector<SASEdge*> edges_;

    Position number_of_faces_;

    ::std::vector<SASFace*> faces_;

    ReducedSurface* reduced_surface_;
  };


  BALL_EXPORT std::ostream& operator << (std::ostream& s, const SolventAccessibleSurface& sas);


} // namespace BALL

#endif  // BALL_STRUCTURE_SOLVENTACCESSIBLESURFACE_H