Rosetta 3.4
Public Types | Public Member Functions
core::scoring::methods::dfire::DFIRE_Energy Class Reference

#include <DFIRE_Energy.hh>

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List of all members.

Public Types

typedef
ContextIndependentLRTwoBodyEnergy 
parent

Public Member Functions

 DFIRE_Energy ()
 ctor
virtual EnergyMethodOP clone () const
 clone
methods::LongRangeEnergyType long_range_type () const
virtual bool defines_intrares_energy (EnergyMap const &) const
 Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.
virtual bool defines_residue_pair_energy (pose::Pose const &pose, Size res1, Size res2) const
virtual void setup_for_scoring (pose::Pose &pose, ScoreFunction const &) const
virtual void eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the intra-residue energy for a given residue.
virtual void residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
virtual void residue_energy (conformation::Residue const &rsd, pose::Pose const &pose, EnergyMap &emap) const
virtual void indicate_required_context_graphs (utility::vector1< bool > &) const
 DFIRE_Energy is context independent and thus indicates that no context graphs are necessary.

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::methods::dfire::DFIRE_Energy::DFIRE_Energy ( )

Member Function Documentation

EnergyMethodOP core::scoring::methods::dfire::DFIRE_Energy::clone ( ) const [virtual]
virtual bool core::scoring::methods::dfire::DFIRE_Energy::defines_intrares_energy ( EnergyMap const &  weights) const [inline, virtual]

Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.

For example, the Etable method defines intra-residue energies only when one or more of the fa_intra_{atr,rep,sol} weights are non-zero.

Implements core::scoring::methods::TwoBodyEnergy.

bool core::scoring::methods::dfire::DFIRE_Energy::defines_residue_pair_energy ( pose::Pose const &  pose,
Size  res1,
Size  res2 
) const [virtual]
void core::scoring::methods::dfire::DFIRE_Energy::eval_intrares_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]

Evaluate the intra-residue energy for a given residue.

Implements core::scoring::methods::TwoBodyEnergy.

void core::scoring::methods::dfire::DFIRE_Energy::indicate_required_context_graphs ( utility::vector1< bool > &  ) const [virtual]

DFIRE_Energy is context independent and thus indicates that no context graphs are necessary.

Energy is context independent and thus indicates that no context graphs need to be maintained.

Implements core::scoring::methods::EnergyMethod.

methods::LongRangeEnergyType core::scoring::methods::dfire::DFIRE_Energy::long_range_type ( ) const [virtual]
void core::scoring::methods::dfire::DFIRE_Energy::residue_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
EnergyMap emap 
) const [virtual]
void core::scoring::methods::dfire::DFIRE_Energy::residue_pair_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]

Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.

Implements core::scoring::methods::TwoBodyEnergy.

References core::scoring::methods::DFIRE, core::scoring::methods::dfire::DFIRE_Potential::eval_dfire_pair_energy(), and core::scoring::methods::dfire::get_DFIRE_potential().

void core::scoring::methods::dfire::DFIRE_Energy::setup_for_scoring ( pose::Pose pose,
ScoreFunction const &   
) const [virtual]

The documentation for this class was generated from the following files:
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