LHSnugFitLegacy.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:
//
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/// @file protocols/antibody2/LHSnugFitLegacy.hh
/// @brief Build a homology model of an antibody2
/// @detailed
///
///
/// @author Jianqing Xu (xubest@gmail.com)



#ifndef INCLUDED_protocols_antibody2_LHSnugFitLegacy_hh
#define INCLUDED_protocols_antibody2_LHSnugFitLegacy_hh






#include <core/pose/Pose.hh>
#include <core/pack/task/TaskFactory.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/moves/MoverContainer.fwd.hh>
#include <protocols/loops/Loops.hh>
#include <protocols/antibody2/AntibodyInfo.fwd.hh>

#include <protocols/antibody2/LHSnugFitLegacy.fwd.hh>



using namespace core;
namespace protocols {
namespace antibody2 {
        
class LHSnugFitLegacy: public moves::Mover {
            
            
public:
    
    /// @brief default constructor
  LHSnugFitLegacy();
    
  /// @brief constructor with arguments
    LHSnugFitLegacy(loops::LoopsOP loops_in );
    LHSnugFitLegacy(antibody2::AntibodyInfoOP antibody_in );
  LHSnugFitLegacy(antibody2::AntibodyInfoOP antibody_in, bool camelid );
        
    virtual protocols::moves::MoverOP clone() const;
    
  /// @brief default destructor
  ~LHSnugFitLegacy();
    
    void set_default();
    

    virtual void apply( core::pose::Pose & pose );
    
    virtual std::string get_name() const;
    
    void set_task_factory(core::pack::task::TaskFactoryCOP tf){
        tf_ = new core::pack::task::TaskFactory(*tf);
    }
    
private:

    AntibodyInfoOP ab_info_;
    
    bool user_defined_;
    bool benchmark_;
    bool is_camelid_;
    loops::LoopsOP all_loops_;
    std::string min_type_;
    Real rot_mag_;
    Real trans_mag_;
    Real temperature_;
    
    void init(loops::LoopsOP loops_in, bool camelid);
    
    void setup_objects();
    
    void snugfit_mcm_protocol( core::pose::Pose & pose_in, loops::Loops loops_in );
    
  //packer task
  core::pack::task::TaskFactoryOP tf_;

};
    
    
    
    
    
    
    
} // namespace antibody2
} // namespace protocols

#endif