MinimizationData.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file   core/scoring/MinimizationData.hh
/// @brief  A container class for use by certain EnergyMethods during derivative and
//          score function evaluation during minimization routines.
/// @author Andrew Leaver-Fay

#ifndef INCLUDED_core_scoring_MinimizationData_hh
#define INCLUDED_core_scoring_MinimizationData_hh

// Unit headers
#include <core/scoring/MinimizationData.fwd.hh>

// Project headers
#include <basic/datacache/CacheableData.fwd.hh>
#ifdef WIN32
#include <basic/datacache/CacheableData.hh>
#endif

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

namespace core {
namespace scoring {

enum min_single_data{
  etab_single_nblist = 1,
  cst_res_data,
  hbond_res_data,
  n_min_single_data = hbond_res_data // keep this guy last
};

enum min_pair_data {
  etab_pair_nblist = 1,
  cst_respair_data,
  hackelec_pair_nblist,
  fa_dslf_respair_data,
  fa_custom_pair_dist_data,
  hbond_respair_data,
  n_min_pair_data = hbond_respair_data // keep this guy last
};


class ResSingleMinimizationData : public utility::pointer::ReferenceCount
{
public:
  typedef basic::datacache::CacheableData    CacheableData;
  typedef basic::datacache::CacheableDataOP  CacheableDataOP;
  typedef basic::datacache::CacheableDataCOP CacheableDataCOP;

public:
  ResSingleMinimizationData();
  virtual ~ResSingleMinimizationData();
  ResSingleMinimizationData( ResSingleMinimizationData const & ); // deep copy
  ResSingleMinimizationData const & operator = ( ResSingleMinimizationData const & ); // deep copy

  void set_data( min_single_data index, CacheableDataOP data );
  CacheableDataOP get_data( min_single_data index );
  CacheableDataCOP get_data( min_single_data index ) const;
  CacheableData & get_data_ref( min_single_data index ) { return * data_cache_[ index ]; }
  CacheableData const & get_data_ref( min_single_data index ) const { return * data_cache_[ index ]; }

private:

private:
  utility::vector1< CacheableDataOP > data_cache_;

};

class ResPairMinimizationData : public utility::pointer::ReferenceCount
{
public:
  typedef basic::datacache::CacheableData    CacheableData;
  typedef basic::datacache::CacheableDataOP  CacheableDataOP;
  typedef basic::datacache::CacheableDataCOP CacheableDataCOP;

public:
  ResPairMinimizationData();
  virtual ~ResPairMinimizationData();
  ResPairMinimizationData( ResPairMinimizationData const & ); // deep copy
  ResPairMinimizationData const & operator = ( ResPairMinimizationData const & ); // deep copy

  void set_data( min_pair_data index, CacheableDataOP );
  CacheableDataOP get_data( min_pair_data index );
  CacheableDataCOP get_data( min_pair_data index ) const;
  CacheableData & get_data_ref( min_pair_data index ) { return * data_cache_[ index ]; }
  CacheableData const & get_data_ref( min_pair_data index ) const { return * data_cache_[ index ]; }


private:
  utility::vector1< CacheableDataOP > data_cache_;
};

}
}

#endif