RestrictOperationsBase.hh

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/// @file   protocols/toolbox/task_operations/RestrictOperationsBase.hh
/// @brief  Base class for PoseMetricCalculator-using TaskOperations
/// @author Steven Lewis smlewi@gmail.com

#ifndef INCLUDED_protocols_toolbox_task_operations_RestrictOperationsBase_hh
#define INCLUDED_protocols_toolbox_task_operations_RestrictOperationsBase_hh

// Unit Headers
#include <protocols/toolbox/task_operations/RestrictOperationsBase.fwd.hh>
#include <core/pack/task/operation/TaskOperation.hh>

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

namespace protocols {
namespace toolbox {
namespace task_operations {

///@details This base class defines an interface for TaskOperations which use PoseMetricCalculators to pick out certain residues in a pose.  The apply function takes a vector of PoseMetricCalculators and a vector of calculation queries, and uses those queries to shape the PackerTask.  This was designed to work with NeighborsByDistanceCalculator, NeighborhoodByDistanceCalculator, and InterfaceNeighborDefinitionCalculator; in general it works when the calculators can return MetricValue< std::set< core::Size > > (a std::set of resids).
class RestrictOperationsBase : public core::pack::task::operation::TaskOperation
{
public:
  typedef core::pack::task::operation::TaskOperation TaskOperation;
  typedef core::pack::task::operation::TaskOperationOP TaskOperationOP;
  typedef TaskOperation parent;

  RestrictOperationsBase();

  virtual ~RestrictOperationsBase();

  virtual TaskOperationOP clone() const = 0;

  virtual
  void
  apply( core::pose::Pose const &, core::pack::task::PackerTask & ) const = 0;

protected:
  ///@brief this is the only real function - it takes a calculator name and calculation, and a PackerTask-compatible vector, and flips booleans in the vector according to the calculator
  void
  run_calculator(
    core::pose::Pose const & pose,
    std::string const & calculator,
    std::string const & calculation,
    utility::vector1_bool & residues ) const;
};

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

#endif // INCLUDED_protocols_toolbox_TaskOperations_RestrictOperationsBase_HH