RestrictToInterface.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 RestrictToInterface.hh
/// @brief When passed to a PackerTask, pack/design is limited to the interface
/// @author ashworth

#ifndef INCLUDED_core_pack_task_operation_RestrictToInterface_hh
#define INCLUDED_core_pack_task_operation_RestrictToInterface_hh

//#include <core/pack/task/operation/RestrictToInterface.fwd.hh>
#include <core/pack/task/operation/TaskOperation.hh>

// for parsing
#include <utility/tag/Tag.fwd.hh>
#include <utility/vector1.hh>

//#include <core/conformation/Interface.hh>
#include <core/types.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>


#include <ObjexxFCL/FArray1D.hh>

namespace core {
namespace pack {
namespace task {
namespace operation {

//class RestrictTaskForDocking : public core::pack::task::operation::TaskOperation
//{
//public:
//  typedef core::pack::task::operation::TaskOperation TaskOperation;
//  typedef core::pack::task::operation::TaskOperationOP TaskOperationOP;
//  typedef TaskOperation parent;
//public:
//  RestrictTaskForDocking();
//
//  RestrictTaskForDocking( core::scoring::ScoreFunctionCOP scorefxn, core::Size rb_jump, bool include_current, core::Real distance_ = 8 );
//
//  virtual ~RestrictTaskForDocking();
//
//  virtual TaskOperationOP clone() const;
//
//  virtual void apply( core::pose::Pose const & pose, core::pack::task::PackerTask & task ) const;
//
//private:
//  core::scoring::ScoreFunctionCOP scorefxn_;
//  core::Size rb_jump_;
//  bool include_current_;
//  core::Real distance_;
//};

class DockingNoRepack1 : public core::pack::task::operation::TaskOperation
{
public:
  typedef core::pack::task::operation::TaskOperation TaskOperation;
  typedef core::pack::task::operation::TaskOperationOP TaskOperationOP;
  typedef TaskOperation parent;
public:
  DockingNoRepack1();
  DockingNoRepack1( core::Size rb_jump_in );

  virtual ~DockingNoRepack1();

  virtual TaskOperationOP clone() const;

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

private:
  core::Size rb_jump_;

};

class DockingNoRepack2 : public core::pack::task::operation::TaskOperation
{
public:
  typedef core::pack::task::operation::TaskOperation TaskOperation;
  typedef core::pack::task::operation::TaskOperationOP TaskOperationOP;
  typedef TaskOperation parent;
public:
  DockingNoRepack2();
  DockingNoRepack2( core::Size rb_jump_in );

  virtual ~DockingNoRepack2();

  virtual TaskOperationOP clone() const;

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

private:
  core::Size rb_jump_;

};

class RestrictToInterface : public core::pack::task::operation::TaskOperation
{
public:
  typedef core::pack::task::operation::TaskOperation TaskOperation;
  typedef core::pack::task::operation::TaskOperationOP TaskOperationOP;
  typedef TaskOperation parent;
public:
  RestrictToInterface() : parent(), distance_( 8 ), loopy_interface_( false )
  {
    rb_jump_.push_back( 1 );
  }

  RestrictToInterface( core::Size rb_jump_in, core::Real distance_in = 8 ) :
    parent(), distance_ ( distance_in ), loopy_interface_( false ) {
    rb_jump_.push_back( rb_jump_in );
  }

  ///@brief Constructor with arguments for multiple jumps
  RestrictToInterface( utility::vector1_size rb_jump_in, core::Real distance_in
    = 8 ) : parent(), distance_ ( distance_in ), loopy_interface_( false ) {
    rb_jump_ = rb_jump_in;
  }

  RestrictToInterface( utility::vector1_size rb_jump_in,
    ObjexxFCL::FArray1D_bool loop_residues ) : parent(), distance_( 8 ),
      loopy_interface_( true ) {
    loop_residues_ = loop_residues;
    rb_jump_ = rb_jump_in;
  }

  RestrictToInterface( ObjexxFCL::FArray1D_bool loop_residues ) :
    parent(), distance_( 8 ), loopy_interface_( true ) {
    loop_residues_ = loop_residues;
  }

  RestrictToInterface( utility::vector1<bool> loop_residues );


  virtual ~RestrictToInterface();

  void add_jump( core::Size rb_jump_in ) {
    rb_jump_.push_back( rb_jump_in );
  }

  virtual TaskOperationOP clone() const;
  void rb_jump( core::Size const jump_in );
  void distance( core::Real const distance_in );
  void symmetric_task( core::pose::Pose const & pose, task::PackerTask & task ) const;

  virtual void apply( core::pose::Pose const & pose, core::pack::task::PackerTask & task ) const;
  virtual void parse_tag( utility::tag::TagPtr tag );

private:
  utility::vector1_size rb_jump_;
  core::Real distance_;
  bool loopy_interface_;
  ObjexxFCL::FArray1D_bool loop_residues_;
};

} // namespace operation
} // namespace task
} // namespace pack
} // namespace core

#endif