RestrictResiduesToRepackingOperation.cc

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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/toolbox/task_operations/RestrictResiduesToRepackingOperation.cc
/// @brief
/// @author Eva-Maria Strauch (evas01@uw.edu)

// Unit Headers
#include <protocols/toolbox/task_operations/RestrictResiduesToRepackingOperation.hh>
#include <protocols/toolbox/task_operations/RestrictResiduesToRepackingOperationCreator.hh>

// Project Headers
// AUTO-REMOVED #include <core/pose/Pose.hh>

// AUTO-REMOVED #include <core/pack/task/PackerTask.hh>
#include <core/pack/task/operation/TaskOperations.hh>


// Utility Headers
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <utility/exit.hh>
// AUTO-REMOVED #include <core/conformation/Conformation.hh>
#include <utility/tag/Tag.hh>

#include <boost/foreach.hpp>
#define foreach BOOST_FOREACH

// C++ Headers
// AUTO-REMOVED #include <set>

#include <utility/string_util.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>

//Auto Headers
#include <core/conformation/Residue.hh>
#include <core/id/types.hh>
#include <core/kinematics/Jump.hh>
#include <boost/functional/hash.hpp>



using basic::Error;
using basic::Warning;
static basic::Tracer TR( "protocols.toolbox.TaskOperations.RestrictResiduesToRepackingOperation" );

namespace protocols {
  namespace toolbox {
    namespace task_operations {
      
      using namespace core::pack::task::operation;
      
      
      RestrictResiduesToRepackingOperation::RestrictResiduesToRepackingOperation() {}
      
      RestrictResiduesToRepackingOperation::RestrictResiduesToRepackingOperation( utility::vector1 < core::Size > residues )
      : parent(), residues_( residues )
      {
      }
      
      RestrictResiduesToRepackingOperation::~RestrictResiduesToRepackingOperation() {}
      
      core::pack::task::operation::TaskOperationOP
      RestrictResiduesToRepackingOperationCreator::create_task_operation() const
      {
        return new RestrictResiduesToRepackingOperation;
      }
      
      core::pack::task::operation::TaskOperationOP RestrictResiduesToRepackingOperation::clone() const
      {
        return new RestrictResiduesToRepackingOperation( *this );
      }
  
    
      void
      RestrictResiduesToRepackingOperation::apply( core::pose::Pose const & pose, core::pack::task::PackerTask & task ) const
      {
        runtime_assert( residues_.size() != 0 );
        
        core::pack::task::operation::RestrictResidueToRepacking rrtr;
        for( core::Size i = 1; i<=residues_.size(); ++i ){
          TR.Debug << "TASKOPERATION: restrict to repacking: " << residues_[i] << std::endl;  
          rrtr.include_residue( residues_[i] );
        }
        rrtr.apply( pose, task );
      }
      
      
      utility::vector1< core::Size >
      RestrictResiduesToRepackingOperation::get_residues() const
      {
        return residues_;
      }
      
      void
      RestrictResiduesToRepackingOperation::set_residues( utility::vector1  < core::Size > residues_vec )
      {
        runtime_assert( residues_vec.size() != 0 );
        residues_.clear();
        foreach( core::Size const item, residues_vec )
          residues_.push_back( item );
      }
            
      void
      RestrictResiduesToRepackingOperation::parse_tag( TagPtr tag )
      {
        unparsed_residues_ = tag->getOption< std::string >( "residues" ) ;
        if( unparsed_residues_ != "" ){
          
          utility::vector1< std::string > const res_keys( utility::string_split( unparsed_residues_ , ',' ) );
          utility::vector1< core::Size > residues_vector;
          residues_.clear();

          foreach( std::string const key, res_keys ){
            Size const res( utility::string2int( key ) );
            TR.Debug<<"not designing residue: "<< key  <<std::endl;
            residues_.push_back( res );
          }
        }
      }
      
    } //namespace protocols
  } //namespace toolbox
} //namespace task_operations