PcsEnergyParameter.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.

 //////////////////////////////////////////////
 /// @begin
 ///
 /// @file protocols/scoring/methods/pcs2/PcsEnergyParameter.hh
 ///
 /// @brief
 ///
 /// @detailed
 ///
 /// @param
 ///
 /// @return
 ///
 /// @remarks
 ///
 /// @references
 ///
 /// @authorsv Christophe Schmitz
 ///
 /// @last_modified February 2010
 ////////////////////////////////////////////////


#ifndef INCLUDED_protocols_scoring_methods_pcs2_PcsEnergyParameter_hh
#define INCLUDED_protocols_scoring_methods_pcs2_PcsEnergyParameter_hh

// Package headers

// Project headers
#include <core/types.hh>

// Utility headers
#include <utility/vector1.hh>

// Numeric headers

// Objexx headers

// C++ headers
#include <string>

namespace protocols {
namespace scoring {
namespace methods {
namespace pcs2 {

class PcsEnergyParameter{
public:

private:
  core::Size include_only_start_;
  core::Size include_only_end_;
  core::Size n_trial_min_;
  core::Real pcs_weight_;
  core::Real individual_scale_;
  utility::vector1<std::string> vec_filename_;
  utility::vector1<core::Real> vec_individual_weight_;

public:

  PcsEnergyParameter(); //Construct

  ~PcsEnergyParameter(); //Destruct

  PcsEnergyParameter & // =
  operator=(PcsEnergyParameter const & other);

  PcsEnergyParameter(PcsEnergyParameter const & other); //copy


  /// @Set the vector an weight name for this PcsEnergyParameter
  void
  set_vector_name_and_weight(utility::vector1<std::string> const vec_filename,
                             utility::vector1<core::Real> const vec_individual_weight);

  /// @Set the grid parameter for this PcsEnergyParameter
  void
  set_grid_param(
                 core::Size const include_only_start,
                 core::Size const include_only_end,
                 core::Size const n_trial_min,
                 core::Real const pcs_weight,
                 core::Real const individual_scale
                 );


  /// @brief Output myself on the stream
  friend std::ostream &
  operator<<(std::ostream& out, const PcsEnergyParameter &me);

  /// @brief
  core::Size
  get_include_only_start() const;

  /// @brief
  core::Size
  get_include_only_end() const;

  /// @brief
  core::Size
  get_n_trial_min() const;

  /*
  /// @brief Give me the gride_large_cutoff value
  core::Real
  get_grid_large_cutoff() const;

  /// @brief Give me the gride_cone_angle_cutoff value
  core::Real
  get_grid_cone_angle_cutoff() const;

  /// @brief Give me the gride_atom_name_1 value
  std::string
  get_grid_atom_name_1() const;

  /// @brief Give me the gride_atom_name_2 value
  std::string
  get_grid_atom_name_2() const;

  /// @brief Give me the gride_residue_num_1 value
  core::Size
  get_grid_residue_num_1() const;

  /// @brief Give me the gride_residue_num_2 value
  core::Size
  get_grid_residue_num_2() const;

  /// @brief Give me the gride_k_vector value
  core::Real
  get_grid_k_vector() const;

  /// @brief Give me the bool if the minimization of the best tensor is active
  bool
  get_minimize_best_tensor() const;
  */
  /// @brief Give me the pcs_weight value
  core::Real
  get_pcs_weight() const;

  core::Real
  get_individual_scale() const;


  /// @brief Give me the vector of the name
  utility::vector1<std::string> const &
  get_vector_filename() const;

  /// @brief Give me the vector of the weight
  utility::vector1<core::Real> const &
  get_vector_weight() const;
};

} //PCS
} //methods
} //scoring
} //core

#endif