Mutant.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:
//
// This file is part of the Rosetta software suite and is made available under license.
// The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
// (C) 199x-2009 Rosetta Commons participating institutions and developers.
// For more information, see http://www.rosettacommons.org/.

/// @file protocols/pmut_scan/Mutant.hh
/// @brief A helper class for the point mut scan protocol.
/// @author Ron Jacak

#ifndef INCLUDED_protocols_pmut_scan_Mutant_HH
#define INCLUDED_protocols_pmut_scan_Mutant_HH

// Project Headers
#include <protocols/pmut_scan/Mutant.fwd.hh>

// AUTO-REMOVED #include <core/graph/Graph.hh>
#include <core/types.hh>
// AUTO-REMOVED #include <core/pose/Pose.fwd.hh>
// AUTO-REMOVED #include <core/scoring/ScoreFunction.fwd.hh>
// AUTO-REMOVED #include <core/scoring/EnergyMap.fwd.hh>

// AUTO-REMOVED #include <basic/options/util.hh>

// Utility headers

// ObjexxFCL header

// C++
// AUTO-REMOVED #include <string>
// AUTO-REMOVED #include <iostream>

#include <utility/vector1.hh>


namespace protocols {
namespace pmut_scan {

class MutationData {

public:

  MutationData( char wt_residue, char mut_residue, core::Size pose_resnum, core::Size pdb_resnum, char icode, char chain );
  ~MutationData();

  std::string mutation_string() const;
  std::string mutation_string_PDB_numbering() const;

  char mut_residue() const;
  core::Size pose_resnum() const;

  char pdb_chain() const { return chain_; }

  // print function for mutation data class; only used by unit tests
  void print_mutation_data( MutationData & md );

  // function which tests two mutation_data objects for equality; only used by unit tests
  bool operator==( const MutationData & md_other ) const;

  friend std::ostream & operator<< ( std::ostream & os, const MutationData & md );

private:

  char wt_residue_;
  char mut_residue_;
  core::Size pose_resnum_;
  core::Size pdb_resnum_; // position in PDB numbering
  char icode_; // insertion code
  char chain_; // insertion code


friend class Mutant;
friend class PointMutScanDriver;

}; // class MutationData


class Mutant {

public:

  Mutant();
  ~Mutant();

  core::Size n_mutations() const;
  void add_mutation( MutationData md );

  utility::vector1< MutationData >::const_iterator mutations_begin() const;
  utility::vector1< MutationData >::const_iterator mutations_end() const;

  // function which tests two mutation_data objects for equality; only used by unit tests
  bool operator==( const Mutant & m_other ) const;

  MutationData pop_mutation();

  friend std::ostream & operator<< ( std::ostream & os, const Mutant & m );

private:

  utility::vector1< MutationData > mutations_;

friend class PointMutScanDriver;

}; // class Mutant


} // namespace pmut_scan
} // namespace protocols

#endif //INCLUDED_protocols_pmut_scan_Mutant_HH