FragmentClaimer.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 TopologyBroker
/// @brief  top-class (Organizer) of the TopologyBroker mechanism
/// @detailed responsibilities:
/// @author Oliver Lange


#ifndef INCLUDED_protocols_topology_broker_FragmentClaimer_hh
#define INCLUDED_protocols_topology_broker_FragmentClaimer_hh


// Unit Headers
#include <protocols/topology_broker/FragmentClaimer.fwd.hh>

// Package Headers
#include <protocols/topology_broker/TopologyClaimer.hh>

// Project Headers
#include <core/pose/Pose.fwd.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <protocols/simple_moves/FragmentMover.fwd.hh>
#include <protocols/loops/Loops.hh>

// ObjexxFCL Headers

// Utility headers
#include <utility/excn/Exceptions.hh>
#include <utility/pointer/ReferenceCount.hh>

//// C++ headers
#include <string>
#include <set>

#include <utility/vector1.hh>


namespace protocols {
namespace topology_broker {

class FragmentClaimer : public virtual TopologyClaimer {
  typedef TopologyClaimer Parent;
public:
  FragmentClaimer(); //for factory
  FragmentClaimer( simple_moves::FragmentMoverOP, std::string mover_tag, weights::AbinitioMoverWeightOP weight );
  FragmentClaimer( simple_moves::FragmentMoverOP );
  FragmentClaimer( FragmentClaimer const & src );

  ~FragmentClaimer();

  virtual TopologyClaimerOP clone() const {
    return new FragmentClaimer( *this );
  }

  virtual void generate_claims( DofClaims& );

  ///@brief is called after all round1 claims have been approved or retracted -- additional claims can be issued in this round
  //virtual DofClaims finalize_claims( DofClaims& );

  virtual void initialize_dofs( core::pose::Pose&, DofClaims const& init_claims, DofClaims& failed_to_init );

  virtual bool accept_declined_claim( DofClaim const& was_declined );

  ///@brief type() is specifying the output name of the TopologyClaimer
  virtual std::string type() const {
    return _static_type_name();
  }

  static std::string _static_type_name() {
    return "FragmentClaimer";
  }

  void set_mover( simple_moves::FragmentMoverOP mover );

  void set_mover_tag( std::string const& str );

  void set_bInitDofs( bool set ) {
    bInitDofs_ = set;
  }

  std::string const& mover_tag() const {
    return mover_tag_;
  }

  virtual moves::MoverOP get_mover( core::pose::Pose const& /*pose*/ ) const;

  void get_sequence_region( std::set< core::Size >& start_region ) const;


protected:
  simple_moves::FragmentMover const & mover() const {
    if ( !mover_ ) throw( utility::excn::EXCN_NullPointer( "mover_ is NULL in FragmentClaimer::mover()" ) );
    return *mover_;
  }

  simple_moves::FragmentMoverOP get_frag_mover_ptr();

  void set_claim_right( DofClaim::ClaimRight setting ) {
    claim_right_ = setting;
  }

  virtual bool read_tag( std::string tag, std::istream & );

  core::kinematics::MoveMapOP movemap_;

  virtual void init_after_reading();

private:

  simple_moves::FragmentMoverOP mover_;
  std::string mover_tag_;

  //if false the initialize_dofs routine won't do anything -- but also not report the dof as failed-to initialized
  bool bInitDofs_;

  DofClaim::ClaimRight claim_right_; /*default CAN_INIT */

  ///@brief regions that can be used for fragment insertions
  loops::Loops region_;

  ///@brief if non-empty this claimer operates only on the sequences with these labels...
  /// create std::set< Size > with residue numbers by get_sequence_region();
  utility::vector1< std::string > active_sequence_labels_;

}; //class FragmentClaimer

}
}

#endif