SurfaceParameters.hh

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/// @file   SurfaceParameters.hh
/// @brief
/// @author Robin A Thottungal (rathottungal@gmail.com)
#ifndef INCLUDED_protocols_surface_docking_SurfaceParameters_hh
#define INCLUDED_protocols_surface_docking_SurfaceParameters_hh

// Project header
#include <core/pose/datacache/CacheableDataType.hh> //dono if I need this
#include <basic/datacache/CacheableData.hh>

// Utility headers
#include <utility/pointer/owning_ptr.hh>
#include <numeric/xyzVector.hh>
#include <core/types.hh>
#include <utility/vector1_bool.hh>
#include <utility/vector1.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyz.io.hh>


// Utility Headers
#include <utility/pointer/ReferenceCount.hh>
#include <utility/vector1.fwd.hh>
#include <utility/exit.hh>


// C++ headers
#include <iostream>
#include <map>
#include <string>


// for storing plane equation, ax+by+cz+d=0
typedef utility::vector1< core::Real > Plane;
using namespace core;

namespace protocols {
namespace surface_docking {

//class SurfaceParameters: public utility::pointer::ReferenceCount  {

class SurfaceParameters: public basic::datacache::CacheableData   {

public:
  ///@brief default constructor to initialize all values
  SurfaceParameters(); //:

  SurfaceParameters(std::string strSURFA0,
      std::string strSURFA1, std::string strSURFA2);

  // Require for CacheableData Copy ctor
  // @details Copy constructors must copy all data, not just some...
  SurfaceParameters( SurfaceParameters const & src );

  // Require for CacheableData, Leaving this makes this class abstract class
  //~SurfaceParameters();


  basic::datacache::CacheableDataOP
    clone() const
    {
      return new  SurfaceParameters( *this );
    }

  void GenerateSurfaceParameters( Vector SurfCG );

  Vector CalcNormalVector ( Vector Apoint , Vector Bpoint , Vector Cpoint );

  Vector CalcAxisIntersect ( Vector point1 , Vector point2 , Vector Bvector ,
                              Vector Cvector );

  Plane GeneratePlane( Vector Apoint ,Vector Bpoint , Vector Cpoint );


  Vector PlanePointIntersection
    ( Plane plane_abcd , Vector point_outofplane , Vector normal_plane );

  //overloading to use in surfaceOrientMover
  Vector PlanePointIntersection( Vector Point );

  Vector SplitSurfaceVectorString( std::string surfVectString );
  // Need to write a print operator for the class
// Not a good idea keeping the members private, temporary fix
public:

  // Holds the xyz co-ordinates that form the AB and AC vector
  Vector SURFA0;
  Vector SURFA1;
  Vector SURFA2;

  //string to hold each line that is used to write in the output pdb
  std::string strSURFA0;
  std::string strSURFA1;
  std::string strSURFA2;

  // A,B,C points of the unit cell, translated to the centroid of the surface
  Vector A,B,C; // its xyz coordinates not a vector
  // AB & AC Vector
  Vector vecAB,vecAC;

  Vector SurfaceCG; //Centroid of the surface

  // Parameters that relates to the plane
  Vector surfaceNormalVec;
  Vector unitsurfaceNormalVec;
  Vector surfaceAntiNormalVec;
  Plane surfacePlane; // ax+by+cz+d=0

  // Vector along which the slide into surface need to occur
  Vector slideaxis;
};

} // namespace surface_docking
} // namespace protocols


#endif