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

#include <MMTorsionEnergy.hh>

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List of all members.

Public Types

typedef
ContextIndependentTwoBodyEnergy 
parent

Public Member Functions

 MMTorsionEnergy ()
 ctor
virtual EnergyMethodOP clone () const
 clone
virtual void setup_for_packing (pose::Pose &pose, utility::vector1< bool > const &, utility::vector1< bool > const &) const
 setup for packing
virtual void setup_for_scoring (pose::Pose &pose, ScoreFunction const &) const
 setup for scoring
virtual void setup_for_derivatives (pose::Pose &pose, ScoreFunction const &) const
 setup for derivatives
virtual void residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &, ScoreFunction const &, EnergyMap &emap) const
 Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
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 void eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &, ScoreFunction const &, EnergyMap &emap) const
 Evaluate the intra-residue energy for a given residue.
virtual void eval_atom_derivative (id::AtomID const &id, pose::Pose const &pose, kinematics::DomainMap const &domain_map, ScoreFunction const &sfxn, EnergyMap const &emap, Vector &F1, Vector &F2) const
 evaluate xyz derivatives (and not DOF derivatives) for a particular atom.
virtual Distance atomic_interaction_cutoff () const
 MMTorsionEnergy does not have an atomic interation threshold.
virtual void indicate_required_context_graphs (utility::vector1< bool > &) const
 MMTorsionEnergy is context independent; indicates that no context graphs are required.

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::methods::MMTorsionEnergy::MMTorsionEnergy ( )

ctor

Referenced by clone().


Member Function Documentation

Distance core::scoring::methods::MMTorsionEnergy::atomic_interaction_cutoff ( ) const [virtual]

MMTorsionEnergy does not have an atomic interation threshold.

Implements core::scoring::methods::ShortRangeTwoBodyEnergy.

EnergyMethodOP core::scoring::methods::MMTorsionEnergy::clone ( ) const [virtual]
bool core::scoring::methods::MMTorsionEnergy::defines_intrares_energy ( EnergyMap const &  weights) const [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.

void core::scoring::methods::MMTorsionEnergy::eval_atom_derivative ( id::AtomID const &  id,
pose::Pose const &  pose,
kinematics::DomainMap const &  domain_map,
ScoreFunction const &  sfxn,
EnergyMap const &  emap,
Vector F1,
Vector F2 
) const [virtual]
void core::scoring::methods::MMTorsionEnergy::eval_intrares_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]
void core::scoring::methods::MMTorsionEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  ) const [virtual]

MMTorsionEnergy is context independent; indicates that no context graphs are required.

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

void core::scoring::methods::MMTorsionEnergy::residue_pair_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]
void core::scoring::methods::MMTorsionEnergy::setup_for_derivatives ( pose::Pose pose,
ScoreFunction const &   
) const [virtual]

setup for derivatives

Reimplemented from core::scoring::methods::EnergyMethod.

References core::pose::Pose::update_residue_neighbors().

void core::scoring::methods::MMTorsionEnergy::setup_for_packing ( pose::Pose pose,
utility::vector1< bool > const &  ,
utility::vector1< bool > const &   
) const [virtual]
void core::scoring::methods::MMTorsionEnergy::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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