RemodelConstraintGenerator.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/forge/remodel/RemodelConstraintGenerator.hh
///
/// @brief  abstract base class that generates constraints during forge loop remodelling
/// @author Florian Richter, floric@u.washington.edu, april 2009
/// @modified Tom Linsky, tlinsky@uw.edu



#ifndef INCLUDED_protocols_forge_remodel_RemodelConstraintGenerator_hh
#define INCLUDED_protocols_forge_remodel_RemodelConstraintGenerator_hh

//unit headers
#include <protocols/forge/components/VarLengthBuild.fwd.hh>
#include <protocols/forge/remodel/RemodelConstraintGenerator.fwd.hh>
// AUTO-REMOVED #include <protocols/forge/build/BuildInstruction.hh>

//project headers
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/constraints/Constraint.fwd.hh>
#ifdef WIN32
#include <core/scoring/constraints/Constraint.hh> // WIN32 INCLUDE
#endif
#include <core/id/SequenceMapping.fwd.hh>
#include <protocols/moves/Mover.hh>

//utility headers
#include <utility/pointer/ReferenceCount.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace forge {
namespace remodel {


/// @brief pure virtual base class
class RemodelConstraintGenerator : public protocols::moves::Mover
{
public: // typedefs
  ///@brief Automatically generated virtual destructor for class deriving directly from ReferenceCount
  virtual ~RemodelConstraintGenerator();

  ///@brief generates constraints and adds them to the pose
  virtual
  void apply( core::pose::Pose & pose );

  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 & );

  typedef protocols::forge::components::VarLengthBuildAP VarLengthBuildAP;


public: //constructors

  RemodelConstraintGenerator();

  RemodelConstraintGenerator( RemodelConstraintGenerator const & rval );


public:

  //virtual
  //RemodelConstraintGeneratorOP
  //clone() const = 0;

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

  void
  remove_remodel_constraints_from_pose(
    core::pose::Pose & pose ) const;

  virtual
  void
  generate_remodel_constraints(
    core::pose::Pose const & pose ) = 0;

  /// @brief Pose-specific setup routines go here
  virtual void
  init( core::pose::Pose const & ) {};

  VarLengthBuildAP
  vlb() const;

  void
  set_vlb( VarLengthBuildAP vlb );

  std::string
  id() const;

  void
  set_id( std::string const & id );

  void
  set_seqmap( core::id::SequenceMappingCOP seqmap );

  core::id::SequenceMappingCOP
  seqmap() const;

  // Undefined, commenting out to fix PyRosetta build  core::scoring::constraints::ConstraintCOPs constraints() const;

  static core::scoring::constraints::ConstraintCOPs const
  lookup_stored_constraints( std::string const & id );

protected:

  void
  add_constraint( core::scoring::constraints::ConstraintCOP cst );

  void
  add_constraints(  core::scoring::constraints::ConstraintCOPs csts );

  void
  clear_constraints();

  void
  clear_stored_constraints();

  void
  store_constraints();

private:

  std::string id_;

  core::scoring::constraints::ConstraintCOPs csts_;

  core::id::SequenceMappingCOP seqmap_;

  VarLengthBuildAP vlb_;

  static std::map<std::string,core::scoring::constraints::ConstraintCOPs> cst_map_;

}; //class RemodelConstraintGenerator


} //namespace remodel
} //namespace forge
} //namespace protocols




#endif