Ab_TemplateInfo.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 protocls/antibody2/Ab_TemplateInfo.cc
/// @brief grafts a cdr onto the template of an antibody framework
/// @detailed
/// @author Jianqing Xu (xubest@gmail.com)


#ifndef INCLUDED_protocols_antibody2_Ab_TemplateInfo_hh
#define INCLUDED_protocols_antibody2_Ab_TemplateInfo_hh


#include <protocols/antibody2/Ab_TemplateInfo.fwd.hh>
#include <map>
#include <core/pose/Pose.hh>
#include <iostream>


///////////////////////////////////////////////////////////////////////////////
namespace protocols {
namespace antibody2 {
using namespace core;

/// antibody2 definition
class Ab_TemplateInfo  : public utility::pointer::ReferenceCount {

public:
    typedef std::map <std::string, core::pose::Pose> TemplatePoseMap;

    /// constructors
    Ab_TemplateInfo();
    Ab_TemplateInfo(bool load_L1, bool load_L2, bool load_L3,
                    bool load_H1, bool load_H2, bool load_H3) ;

    Ab_TemplateInfo(bool load_L1, bool load_L2, bool load_L3,
                    bool load_H1, bool load_H2, bool load_H3, bool camelid);
    
    void load_templates_from_pdbs(bool load_L1, bool load_L2, bool load_L3,
                                  bool load_H1, bool load_H2, bool load_H3, bool camelid);
    
    pose::Pose get_one_template_pose(std::string cdr_name);
    bool is_camelid()  { return camelid_;  }

  void show( std::ostream & out=std::cout );
//  void show( std::ostream & out );
  friend std::ostream & operator<<(std::ostream& out, const Ab_TemplateInfo & ab_t_info );



private:
    bool load_L1_, load_L2_, load_L3_, 
         load_H1_, load_H2_, load_H3_;
    
    TemplatePoseMap templates_poses_;
    pose::Pose L1_t_pose_, L2_t_pose_, L3_t_pose_,
               H1_t_pose_, H2_t_pose_, H3_t_pose_;
//    pose::Pose Lfr_t_pose_, Hfr_t_pose_, LightHeavy_t_pose_;

  void set_default( bool camelid );

    std::string LightHeavy_t_name_, Lfr_t_name_, Hfr_t_name_;
    std::string L1_t_name_, L2_t_name_, L3_t_name_,
                H1_t_name_, H2_t_name_, H3_t_name_;

    void obtain_templates_names();


  bool camelid_;





};








} //namespace antibody2
} //namespace protocols





#endif