TorsionFilter.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 sw=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/filters/Torsion.hh
/// @brief Reports the average degree of connectivity of interface residues
/// @author Sarel Fleishman (sarelf@uw.edu)

#ifndef INCLUDED_protocols_protein_interface_design_filters_TorsionFilter_hh
#define INCLUDED_protocols_protein_interface_design_filters_TorsionFilter_hh


// Project Headers
#include <protocols/filters/Filter.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/protein_interface_design/filters/TorsionFilter.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>

#include <utility/vector1.hh>

// Unit headers

namespace protocols {
namespace protein_interface_design{
namespace filters {

class Torsion : public protocols::filters::Filter
{
private:
  typedef protocols::filters::Filter parent;
public:
  /// @brief default ctor
  Torsion();
  ///@brief Constructor with a single target residue
  virtual bool apply( core::pose::Pose const & pose ) const;
  virtual void report( std::ostream & out, core::pose::Pose const & pose ) const;
  virtual core::Real report_sm( core::pose::Pose const & pose ) const;
  virtual protocols::filters::FilterOP clone() const;
  virtual protocols::filters::FilterOP fresh_instance() const;
  core::Real compute( core::pose::Pose const & pose ) const;
  virtual ~Torsion();
  void parse_my_tag( utility::tag::TagPtr const tag,
    protocols::moves::DataMap &,
    protocols::filters::Filters_map const &,
    protocols::moves::Movers_map const &,
    core::pose::Pose const & );
  core::Real lower() const{ return lower_; }
  void lower( core::Real const l ) { lower_ = l; }
  core::Real upper() const{ return upper_; }
  void upper( core::Real const u ){ upper_ = u; }
  core::Size resnum() const{ return resnum_; }
  void resnum( core::Size const r ){ resnum_ = r; }
  void torsion( std::string const t ){ torsion_ = t; }
  std::string torsion() const{ return torsion_; }
  core::pack::task::TaskFactoryOP task_factory() const;
  void task_factory( core::pack::task::TaskFactoryOP tf );
  void task_factory_set( bool const b ){ task_factory_set_ = b; }
  bool task_factory_set() const { return task_factory_set_; }
private:

  core::Real lower_, upper_;
  core::Size resnum_;
  std::string torsion_;
  core::pack::task::TaskFactoryOP task_factory_;
  bool task_factory_set_;/// if you call this filter from within another routine, rather than through rosetta_scripts, and you want to use a task_factory, set this parameter to true before apply
};

} // filters
} //protein_interface_design
} // protocols

#endif //INCLUDED_protocols_Filters_Torsion_HH_