RestrictInterGroupVectorOperation.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file protocols/toolbox/task_operations/RestrictInterGroupVectorOperation.hh
/// @brief restricts design to only those residues between two groups of structures
/// @author Ben Stranges stranges@unc.edu

#ifndef INCLUDED_protocols_toolbox_task_operations_RestrictInterGroupVectorOperation_hh
#define INCLUDED_protocols_toolbox_task_operations_RestrictInterGroupVectorOperation_hh

// unit headers
#include <protocols/toolbox/task_operations/RestrictInterGroupVectorOperation.fwd.hh>

//package headers
#include <core/pack/task/operation/TaskOperation.hh>

//project headers
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/types.hh>

// Utility Headers
#include <utility/tag/Tag.fwd.hh>
#include <utility/vector1.hh>

//C++ headers
#include <set>
#include <utility> //pair


namespace protocols{
namespace toolbox{
namespace task_operations{

class RestrictInterGroupVectorOperation : public core::pack::task::operation::TaskOperation {
public:
  typedef core::pack::task::operation::TaskOperation parent;
  typedef std::set< core::Size > one_group;
  typedef std::pair< one_group, one_group > group_pair;
  typedef utility::vector1< group_pair > group_vector;
public:

  /// @brief default constructor
  RestrictInterGroupVectorOperation();

  /// @brief full constructor
  RestrictInterGroupVectorOperation(
    group_vector const & group,
    core::Real CB_dist_cutoff,
    core::Real nearby_atom_cutoff,
    core::Real vector_angle_cutoff,
    core::Real vector_dist_cutoff);

  //@brief convienience contstuctor for one pair
  RestrictInterGroupVectorOperation(
    group_pair const & one_group,
    core::Real CB_dist_cutoff,
    core::Real nearby_atom_cutoff,
    core::Real vector_angle_cutoff,
    core::Real vector_dist_cutoff);

  /// @brief destructor
  ~RestrictInterGroupVectorOperation();

  /// @brief make clone
  virtual core::pack::task::operation::TaskOperationOP clone() const;

public:
  ///@breif parse_tag
  //parse_tag(
  //  utility::tag::TagPtr tag,
  // core::pose::Pose const & pose);

  /// @brief apply
  virtual void apply( Pose const & pose, core::pack::task::PackerTask & task ) const;

// ///@brief parse_tag
// void parse_tag(utility::tag::TagPtr tag);

  /// @brief setters for member data
  void insert_pair( group_pair  pair);
  void CB_dist_cutoff( core::Real  CB_dist_cutoff);
  void nearby_atom_cutoff(core::Real  nearby_atom_cutoff);
  void vector_angle_cutoff(core::Real  vector_angle_cutoff);
  void vector_dist_cutoff(core::Real  vector_dist_cutoff);

private:
  group_vector pair_vector_;
  core::Real CB_dist_cutoff_;
  core::Real nearby_atom_cutoff_;
  core::Real vector_angle_cutoff_;
  core::Real vector_dist_cutoff_;
};


} // TaskOperations
} // toolbox
} // protocols
#endif