PoseMembraneRigidBodyMover.hh

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// vi: set ts=2 noet:
//
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/// @file PoseMembraneRigidBodyMover.hh
/// @brief
/// @author Yifan Song

#ifndef INCLUDED_protocols_rigid_PoseMembraneRigidBodyMover_hh
#define INCLUDED_protocols_rigid_PoseMembraneRigidBodyMover_hh

// Package headers
#include <protocols/moves/Mover.hh>


// Utility Headers
#include <core/types.hh>
#include <numeric/xyzVector.hh>
// AUTO-REMOVED #include <numeric/xyzMatrix.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace rigid {

/// move pose into a membrane
class MovePoseToMembraneCenterMover : public moves::Mover {

public:
  //default constructor
  MovePoseToMembraneCenterMover();

  void apply( core::pose::Pose & pose );

  core::Vector estimate_membrane_center( core::pose::Pose & pose );
  std::string  get_name() const;
};

/// perturb the pose along membrane normal
class MembraneCenterPerturbationMover : public moves::Mover {
public:
  MembraneCenterPerturbationMover (); // default constructor
  MembraneCenterPerturbationMover (core::Real const & trans_mag_in); // constructor

  void apply( core::pose::Pose & pose );

  std::string  get_name() const;
private:
  ///data
  core::Real trans_mag_; //maximum translation magnitude

};

/// rotation pose around membrane center, perturb the membrane normal vector relative to the pose
class MembraneNormalPerturbationMover : public moves::Mover {
public:
  MembraneNormalPerturbationMover (); // default constructor
  MembraneNormalPerturbationMover ( core::Real const & rotation_mag_in ); // constructor

  void apply( core::pose::Pose & pose );

  std::string  get_name() const;
private:
  ///data
  core::Real rotation_mag_; //maximum translation magnitude

};

/// translate the whole pose
class WholeBodyTranslationMover :  public moves::Mover {
public:
  WholeBodyTranslationMover ( core::Vector const & trans_in );

  void apply( core::pose::Pose & pose );
  std::string  get_name() const;

private:
  /// data
  core::Vector trans_;
};

/// rotate the whole pose
class WholeBodyRotationMover :  public moves::Mover {
public:
  WholeBodyRotationMover ( core::Vector const & axis, core::Vector const & center, core::Real const & alpha /* degrees */ );

  void apply( core::pose::Pose & pose );
  std::string  get_name() const;

private:
  /// data
  //numeric::xyzMatrix< core::Real > rotation_m_;
  core::Vector axis_;
  core::Vector center_;
  core::Real alpha_; /* degrees */
};

}
}

#endif //INCLUDED_protocols_rigid_PoseMembraneRigidBodyMover_HH