DesignAroundOperation.hh

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/// @file   protocols/toolbox/task_operations/DesignAroundOperation.hh
/// @brief  TaskOperation class that restricts a chain to repacking
/// @author Sarel Fleishman sarelf@uw.edu

#ifndef INCLUDED_protocols_toolbox_task_operations_DesignAroundOperation_hh
#define INCLUDED_protocols_toolbox_task_operations_DesignAroundOperation_hh

// Unit Headers
#include <protocols/toolbox/task_operations/DesignAroundOperation.fwd.hh>
#include <protocols/toolbox/task_operations/RestrictOperationsBase.hh>

// Project Headers
#include <core/pose/Pose.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <utility/tag/Tag.fwd.hh>

// Utility Headers
#include <core/types.hh>

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

#include <utility/vector1.hh>


namespace protocols {
namespace toolbox {
namespace task_operations {

///@details this class is a TaskOperation to prevent repacking of residues not near an interface.
class DesignAroundOperation : public RestrictOperationsBase
{
public:
  typedef RestrictOperationsBase parent;

  DesignAroundOperation();

  void design_shell( core::Real const radius );
  core::Real design_shell() const{ return design_shell_; }
  void include_residue( core::Size const resid );

  virtual ~DesignAroundOperation();

  virtual TaskOperationOP clone() const;

  virtual
  void
  apply( core::pose::Pose const &, core::pack::task::PackerTask & ) const;

  virtual void parse_tag( TagPtr );

  virtual void parse_def( utility::lua::LuaObject const & def );

  void repack_shell( core::Real const repack_shell) {
    repack_shell_ = repack_shell;
    if( repack_shell <= design_shell() )
      design_shell_ = repack_shell;
  }
  core::Real repack_shell() const{ return repack_shell_; }

  void allow_design( bool const a ){ allow_design_ = a; }
  bool allow_design() const{ return allow_design_; }
private:
  core::Real design_shell_, repack_shell_; //dflt 8 and 8
  bool allow_design_; //dflt true
  std::set< core::Size > resid_; // accessible at all times
  std::string string_resnums_; // this can only be parsed at apply time, when the pose is available
};

} //namespace protocols
} //namespace toolbox
} //namespace task_operations

#endif // INCLUDED_protocols_toolbox_TaskOperations_DesignAroundOperation_HH