backboneModel.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: backboneModel.h,v 1.20.18.1 2007/03/25 21:26:05 oliver Exp $
//
 
#ifndef BALL_VIEW_MODELS_BACKBONEMODEL_H
#define BALL_VIEW_MODELS_BACKBONEMODEL_H
 
#ifndef BALL_VIEW_MODELS_MODELPROCESSOR_H
# include <BALL/VIEW/MODELS/modelProcessor.h>
#endif
 
#ifndef BALL_MATHS_VECTOR3_H
# include <BALL/MATHS/vector3.h>
#endif 
 
#ifndef BALL_KERNEL_SECONDARYSTRUCTURE_H
 #include <BALL/KERNEL/secondaryStructure.h>
#endif
 
#ifndef BALL_KERNEL_PROTEIN_H
 #include <BALL/KERNEL/protein.h>
#endif
 
#ifndef BALL_MATHS_MATRIX44_H
 #include <BALL/MATHS/matrix44.h>
#endif
 
namespace BALL
{
  namespace VIEW
  {
    class BALL_VIEW_EXPORT AddBackboneModel: public ModelProcessor
    {
      //_
      protected:
 
      struct ModelPart
      {
        ModelPart();
        ModelPart(const ModelPart& m);
        const ModelPart& operator = (const ModelPart& p);
 
        // residues for this ModelPart
        vector<Residue*> residues;
        // Model Type, e.g. Strand, Helix, Ribbon
        Index type;
        // start and end index in guide_points_
        Position first_guide_point;
        Position last_guide_point;
        // start and end index in interpolated_points_
        Position first_point;
        Position last_point;
      };
        
      enum ModelTypes
      {
        TUBE,
        RIBBON,
        NUCLEIC_ACID
      };
 
      public:
 
      BALL_CREATE(AddBackboneModel)
 
      
      AddBackboneModel();

      AddBackboneModel(const AddBackboneModel& add_Backbone_model);

      virtual ~AddBackboneModel();

      virtual void clear();

      virtual bool start();

      virtual Processor::Result operator() (Composite& composite);

      virtual void dump(std::ostream& s = std::cout, Size depth = 0) const;

      void setTubeRadius(float radius)
        { tube_radius_ = radius;}

      float getTubeRadius() const
        { return tube_radius_;}

      virtual bool createGeometricObjects();

      void setRibbonMode(bool state)
        {ribbon_mode_ = state;}

      bool ribbonModeEnabled() const
        {return ribbon_mode_;}
 
      protected:
 
      virtual void calculateModelParts(Protein& protein);
      virtual bool collectPositions(vector<Residue*> residues);
      virtual void calculateGuidePoints_();
 
      virtual void assignModelType(ModelPart& part);
 
      virtual void createModel_(Position set_pos, Position model_pos);
      // build a tube model
      virtual void createTube_(Position set_pos, Position model_pos);
      // build a ribbon / helix
      virtual void createRibbon_(Position set_pos, Position model_pos);
 
 
      virtual void refineGuidePoints_() {};
      virtual void interpolate_();
      virtual void refineModelParts_();
 
      virtual void clear_();
      
      inline void evaluateBSpline(const Vector3& v1, const Vector3& v2, 
                                  const Vector3& v3, float x, Vector3& result);
 
      inline bool residuesAreConnected_(Residue& residue1, Residue& residue2);
 
      inline void calculateTubePoints_(Vector3 right, Vector3 dir, vector<Vector3>& points);
      inline void calculateRibbonPoints_(Vector3 xn, Vector3 dir, vector<Vector3>& points);
      inline void calculateRibbonEllipse_(float ribbon_width, float ribbon_height);
 
      //_
      float tube_radius_;
 
      //_
      Size  interpolation_steps_;
      // must be alwas uneven:
      Size number_of_ribbons_;
      float ribbon_width_;
      float ribbon_height_;
      bool care_for_SS_;
      bool ribbon_mode_;
 
      vector<vector<vector<Vector3> > > guide_points_;
      vector<vector<vector<Vector3> > > interpolated_points_;
      vector<vector<Vector3> > backbone_;
      vector<vector<Vector3> > offsets_;
      vector<vector<ModelPart> > model_parts_;
 
      Protein dummy_protein_;
      Chain dummy_chain_;
      SecondaryStructure dummy_ss_;
      HashSet<Residue*> residues_to_be_rendered_;
      Protein* last_protein_;
      vector<vector<Index> > ss_;
      // temp variables for speedup:
      Size        slides_;
      Position    middle_slide_;
      Position    middle_ribbon_;
      Angle       slides_angle_;
      Matrix4x4   temp_matrix_;
      vector<float> xs_, ys_;
    };
 
  } // namespace VIEW
} // namespace BALL
 
#endif // BALL_VIEW_MODELS_BACKBONEMODEL_H