Align_RmsdEvaluator.hh

Go to the documentation of this file.

// -*- 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 Align_RmsdEvaluator
/// @author James Thompson

#ifndef INCLUDED_protocols_comparative_modeling_Align_RmsdEvaluator_hh
#define INCLUDED_protocols_comparative_modeling_Align_RmsdEvaluator_hh

#include <protocols/comparative_modeling/Align_RmsdEvaluator.fwd.hh>

#include <protocols/evaluation/AlignEvaluator.hh>
#include <core/sequence/SequenceAlignment.fwd.hh>

#include <core/io/silent/silent.fwd.hh>
#include <core/pose/Pose.fwd.hh>

#include <core/types.hh>

#include <ObjexxFCL/FArray2D.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace comparative_modeling {

class Align_RmsdEvaluator : public protocols::evaluation::AlignEvaluator {

public:
  Align_RmsdEvaluator(
    core::pose::PoseCOP native_pose,
    std::string tag = "",
    bool calc_gdt = true,
    core::sequence::SequenceAlignmentOP aln = 0
  );

  ~Align_RmsdEvaluator();

  virtual void apply(
    core::pose::Pose & pose,
    std::string tag,
    core::io::silent::SilentStruct & ss
  ) const;

  virtual core::Real apply(
    core::pose::Pose & /*pose*/
  ) const {
    return 0;
  }

  void report_gdt_components( bool const setting ) {
    report_gdt_components_ = setting;
    if ( setting ) calc_gdt(true);
  }

  bool report_gdt_components() const {
    return report_gdt_components_;
  }

  void calc_gdt( bool const setting ) {
    calc_gdt_ = setting;
  }

  bool calc_gdt() const {
    return calc_gdt_;
  }

private:
  bool calc_gdt_;
  bool report_gdt_components_;
}; // Align_RmsdEvaluator

} // comparative_modeling
} // protocols

#endif