ResidueDecompositionCalculator.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
/// @brief
/// @author Colin A. Smith


#ifndef INCLUDED_protocols_toolbox_pose_metric_calculators_ResidueDecompositionCalculator_hh
#define INCLUDED_protocols_toolbox_pose_metric_calculators_ResidueDecompositionCalculator_hh

#include <core/pose/metrics/PoseMetricCalculatorBase.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <basic/MetricValue.fwd.hh>

// AUTO-REMOVED #include <utility/vector1.hh>
#include <set>

#include <utility/vector1.hh>


namespace protocols{
namespace toolbox {
namespace pose_metric_calculators {

class ResidueDecompositionCalculator : public core::pose::metrics::StructureDependentCalculator {

public:

  core::pose::metrics::PoseMetricCalculatorOP clone() const = 0;

protected:

  ResidueDecompositionCalculator();

  ResidueDecompositionCalculator( ResidueDecompositionCalculator const & calculator );

  virtual std::string print( std::string const & key ) const;

  virtual void lookup( std::string const & key, basic::MetricValueBase * valptr ) const;

  virtual void recompute( core::pose::Pose const & this_pose ) = 0;

  void
  residue_decomposition_to_set_numbers(
    core::pose::Pose const & this_pose
  );

  void
  residue_set_numbers_to_decomposition();

  utility::vector1<std::set<core::Size> > const &
  residue_decomposition() const {
    return residue_decomposition_;
  }

  utility::vector1<core::Size> const &
  residue_set_numbers() const {
    return residue_set_numbers_;
  }

  utility::vector1<std::set<core::Size> > residue_decomposition_;
  utility::vector1<core::Size> residue_set_numbers_;
  utility::vector1<std::string> set_names_;
};


} // namespace pose_metric_calculators
} // namespace toolbox
} // namespace protocols

#endif