OneBodyEnergy.cc

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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.

/// @file
/// @brief
/// @author

// Unit headers
#include <core/scoring/methods/OneBodyEnergy.hh>

// Package headers
#include <core/scoring/methods/EnergyMethod.hh>
#include <core/scoring/methods/EnergyMethodCreator.hh>

#include <utility/vector1.hh>


namespace core {
namespace scoring {
namespace methods {

OneBodyEnergy::OneBodyEnergy(
  EnergyMethodCreatorOP creator
) :
  parent( creator )
{}

OneBodyEnergy::~OneBodyEnergy() {}

bool
OneBodyEnergy::defines_score_for_residue(
  conformation::Residue const &
) const
{
  return true;
}

bool
OneBodyEnergy::use_extended_residue_energy_interface() const
{
  return false;
}

void
OneBodyEnergy::residue_energy_ext(
  conformation::Residue const &,
  ResSingleMinimizationData const &,
  pose::Pose const &,
  EnergyMap &
) const
{}


void
OneBodyEnergy::setup_for_minimizing_for_residue(
  conformation::Residue const &,
  pose::Pose const & ,
  ScoreFunction const & ,
  kinematics::MinimizerMapBase const & ,
  ResSingleMinimizationData &
) const {}

bool
OneBodyEnergy::requires_a_setup_for_scoring_for_residue_opportunity( pose::Pose const & ) const
{
  return false;
}

void
OneBodyEnergy::setup_for_scoring_for_residue(
  conformation::Residue const &,
  pose::Pose const &,
  ScoreFunction const &,
  ResSingleMinimizationData &
) const
{
  // noop -- this should be an error
}

bool
OneBodyEnergy::requires_a_setup_for_derivatives_for_residue_opportunity( pose::Pose const & ) const
{
  return false;
}

void
OneBodyEnergy::setup_for_derivatives_for_residue(
  conformation::Residue const &,
  pose::Pose const &,
  ScoreFunction const &,
  ResSingleMinimizationData &
) const
{
  // noop -- this should be an error
}


void
OneBodyEnergy::eval_residue_derivatives(
  conformation::Residue const &,
  ResSingleMinimizationData const &,
  pose::Pose const &,
  EnergyMap const &,
  utility::vector1< DerivVectorPair > &
) const
{}

/*void
OneBodyEnergy::eval_atom_derivative_for_residue(
  Size const atom_index,
  conformation::Residue const & rsd,
  ResSingleMinimizationData const & min_data,
  pose::Pose const & pose, // provides context
  kinematics::DomainMap const & domain_map,
  ScoreFunction const & sfxn,
  EnergyMap const & weights,
  Vector & F1,
  Vector & F2
) const {}*/


bool
OneBodyEnergy::defines_dof_derivatives( pose::Pose const & ) const
{
  return false;
}

Real
OneBodyEnergy::eval_residue_dof_derivative(
  conformation::Residue const &,
  ResSingleMinimizationData const &,
  id::DOF_ID const &,
  id::TorsionID const &,
  pose::Pose const &,
  ScoreFunction const &,
  EnergyMap const &
) const
{
  return 0.0;
}


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