ResidueDecompositionByChainCalculator.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_ResidueDecompositionByChainCalculator_hh
#define INCLUDED_protocols_toolbox_pose_metric_calculators_ResidueDecompositionByChainCalculator_hh
#include <protocols/toolbox/pose_metric_calculators/ResidueDecompositionCalculator.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <basic/MetricValue.fwd.hh>

#include <utility/vector1.hh>



namespace protocols{
namespace toolbox {
namespace pose_metric_calculators {

class ResidueDecompositionByChainCalculator : public ResidueDecompositionCalculator {

public:

  ResidueDecompositionByChainCalculator();

  ResidueDecompositionByChainCalculator(
    ResidueDecompositionByChainCalculator const & calculator
  );

  virtual
  core::pose::metrics::PoseMetricCalculatorOP
  clone() const;

  utility::vector1<std::set<char> > const &
  chain_letters() const {
    return chain_letters_;
  }

  void
  chain_letters(utility::vector1<std::set<char> > const & chain_letters) {
    chain_letters_ = chain_letters;
    use_numbers_ = false;
  }

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

  void
  chain_numbers(utility::vector1<std::set<core::Size> > const & chain_numbers) {
    chain_numbers_ = chain_numbers;
    use_numbers_ = true;
  }

  bool
  use_numbers() const {
    return use_numbers_;
  }

  void
  use_numbers(
    bool use_numbers
  ) {
    use_numbers_ = use_numbers;
  }

protected:

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

  utility::vector1<std::set<char> > chain_letters_;
  utility::vector1<std::set<core::Size> > chain_numbers_;
  bool use_numbers_;
};

typedef utility::pointer::owning_ptr< ResidueDecompositionByChainCalculator > ResidueDecompositionByChainCalculatorOP;
typedef utility::pointer::owning_ptr< ResidueDecompositionByChainCalculator const > ResidueDecompositionByChainCalculatorCOP;


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

#endif