RigidBodiesImageFitRestraint.h

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/**
 *  \file RigidBodiesImageFitRestraint.h
 *  \brief Fit Restraint
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 *
 */

#ifndef IMPEM2D_RIGID_BODIES_IMAGE_FIT_RESTRAINT_H
#define IMPEM2D_RIGID_BODIES_IMAGE_FIT_RESTRAINT_H

#include "IMP/em2d/project.h"
#include "IMP/em2d/scores2D.h"
#include "IMP/em2d/Image.h"
#include "IMP/core/rigid_bodies.h"
#include "IMP/algebra/Rotation3D.h"
#include "IMP/Restraint.h"
#include "IMP/Pointer.h"
#include "IMP/macros.h"
#include "IMP/base_types.h"

IMPEM2D_BEGIN_NAMESPACE

// Comparison function for the keys of the maping between quaternion of
// rotation and their corresponding chached mask
class IntsOrder {
public:
  // The vector with lower values goes first
  bool operator()(const Ints &a, const Ints &b) const {
    for (unsigned int i=0; i < a.size(); ++i) {
      if(a[i] < b[i]) return true;
      if(a[i] > b[i]) return false;
    }
    return false;
  }
};

typedef std::pair< Ints, unsigned int  > KeyIndexPair;
typedef std::map< Ints, unsigned int, IntsOrder> KeyIndexMap;
typedef std::vector< KeyIndexMap > KeyIndexMaps;



class IMPEM2DEXPORT RigidBodiesImageFitRestraint: public Restraint {
  IMP_RESTRAINT(RigidBodiesImageFitRestraint);

protected:
  // Storage for all the masks of the rigid bodies
  std::vector<em2d::Images> rigid_bodies_masks_;
  KeyIndexMaps maps_;
  Pointer<ScoreFunction> score_function_;
  core::RigidBodies rigid_bodies_;
  Pointer<Image> image_; // Image to used when scoring
  Pointer<Image> projection_;
  ProjectingParameters params_;
  bool params_set_;

  // Return the internal identity index for the rigid body
  unsigned int get_rigid_body_index(const core::RigidBody &rb) const;

public:

  /*! Initialize the class
    \param[in] scf Score function used to compute the value of the restraint
    \param[in] Rbs Rigid bodies that are restrained
    \param[in] img Image used to compute the restraint
  */
  RigidBodiesImageFitRestraint(ScoreFunction *scf,
                               const core::RigidBodies &rbs,
                              Image *img);


  void set_projecting_parameters(const ProjectingParameters &p);

  /*! Set the possible rotations that a rigid body can have. A projection of
      the rigid body in all posible orientations is stored
    \param[in]
  */
  void set_orientations(const core::RigidBody &rb,
                     const algebra::Rotation3Ds &rots);

  /*! Return the number of precomputed masks associated with the rigid body
      Throws an exception if the rigid body is not in the set used to construct
      the restraint
  */
  unsigned int get_number_of_masks(const core::RigidBody &rb) const;

};
IMP_OBJECTS(RigidBodiesImageFitRestraint,RigidBodiesImageFitRestraints);

// For a unique 4 ints ( 2 first decimal positions) for a rotation
IMPEM2DEXPORT Ints get_unique_index(const algebra::Rotation3D &rot);

IMPEM2D_END_NAMESPACE

#endif  /* IMPEM2D_RIGID_BODIES_IMAGE_FIT_RESTRAINT_H */