CountPairFunction.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.
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/// @file   core/scoring/etable/count_pair/CountPairFunction.hh
/// @brief  Count pair base class interface
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)


#ifndef INCLUDED_core_scoring_etable_count_pair_CountPairFunction_hh
#define INCLUDED_core_scoring_etable_count_pair_CountPairFunction_hh

// Unit headers
#include <core/scoring/etable/count_pair/CountPairFunction.fwd.hh>

// Project headers
#include <core/conformation/Residue.fwd.hh>
#include <core/scoring/etable/EtableEnergy.fwd.hh>
#include <core/scoring/EnergyMap.fwd.hh>
#include <core/types.hh>

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


// C++

namespace core {
namespace scoring {
namespace etable {
namespace count_pair {

class CountPairFunction : public utility::pointer::ReferenceCount
{

public:
  CountPairFunction() {} // inlined when declared on the stack
  virtual ~CountPairFunction() {} // inlined when declared on the stack

  // each derived class must override this (non virtual) function
  // in order to work with residue_atom_pair_energy< T > defined in
  // atom_pair_energy_inline.hh
  bool
  operator () (
    int const at1,
    int const at2,
    Real &,
    Size & path_dist
  ) const;

  // virtual method calls operator(); for use when type resolution is non-critical
  virtual
  bool
  count(
    int const at1,
    int const at2,
    Real &,
    Size & path_dist
  ) const = 0;

  virtual
  void
  residue_atom_pair_energy(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const = 0;

  virtual
  void
  residue_atom_pair_energy_sidechain_backbone(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const = 0;


  virtual
  void
  residue_atom_pair_energy_sidechain_whole(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const = 0;

  virtual
  void
  residue_atom_pair_energy_backbone_backbone(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const = 0;


  virtual
  void
  residue_atom_pair_energy_sidechain_sidechain(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const = 0;

  virtual
  void
  residue_atom_pair_energy(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const = 0;

  virtual
  void
  residue_atom_pair_energy_sidechain_backbone(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const = 0;


  virtual
  void
  residue_atom_pair_energy_sidechain_whole(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const = 0;

  virtual
  void
  residue_atom_pair_energy_backbone_backbone(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const = 0;


  virtual
  void
  residue_atom_pair_energy_sidechain_sidechain(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const = 0;

  /*static
  count_pair_type
  find_count_pair_type( std::string const & ); */

  static Real const cp_half;

};

} // namespace count_pair
} // namespace etable
} // namespace scoring
} // namespace core


#endif