Rosetta 3.4
Public Member Functions | Public Attributes
core::scoring::rna::RNA_TorsionEnergy Class Reference

#include <RNA_TorsionEnergy.hh>

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List of all members.

Public Member Functions

 RNA_TorsionEnergy ()
 ctor
virtual methods::EnergyMethodOP clone () const
 clone
virtual void eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &, EnergyMap &emap) const
 Evaluate the intra-residue constraint energy for a given residue.
virtual void residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &, EnergyMap &emap) const
 Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
virtual void eval_atom_derivative (id::AtomID const &id, pose::Pose const &pose, kinematics::DomainMap const &, ScoreFunction const &sfxn, EnergyMap const &weights, Vector &F1, Vector &F2) const
 called during gradient-based minimization inside dfunc
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.
bool defines_residue_pair_energy (EnergyMap const &) const
virtual Distance atomic_interaction_cutoff () const
 RNA_PairwiseLowResolutionEnergy distance cutoff.
virtual void indicate_required_context_graphs (utility::vector1< bool > &) const
 Indicate in the context-graphs-required list which context-graphs this energy method requires that the Pose maintain when doing neighbor evaluation. Context graphs are allowed.

Public Attributes

 __pad0__:ContextIndependentTwoBodyEnergy parent

Constructor & Destructor Documentation

core::scoring::rna::RNA_TorsionEnergy::RNA_TorsionEnergy ( )

ctor

Referenced by clone().


Member Function Documentation

Distance core::scoring::rna::RNA_TorsionEnergy::atomic_interaction_cutoff ( ) const [virtual]
methods::EnergyMethodOP core::scoring::rna::RNA_TorsionEnergy::clone ( ) const [virtual]
bool core::scoring::rna::RNA_TorsionEnergy::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::rna::RNA_TorsionEnergy::defines_residue_pair_energy ( EnergyMap const &  ) const [inline]
void core::scoring::rna::RNA_TorsionEnergy::eval_atom_derivative ( id::AtomID const &  id,
pose::Pose const &  pose,
kinematics::DomainMap const &  ,
ScoreFunction const &  sfxn,
EnergyMap const &  weights,
Vector F1,
Vector F2 
) const [virtual]

called during gradient-based minimization inside dfunc

F1 and F2 are not zeroed -- contributions from this atom are just summed in

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

References core::scoring::rna::RNA_TorsionPotential::eval_atom_derivative().

void core::scoring::rna::RNA_TorsionEnergy::eval_intrares_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  ,
EnergyMap emap 
) const [virtual]

Evaluate the intra-residue constraint energy for a given residue.

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

References core::scoring::rna::RNA_TorsionPotential::eval_intrares_energy(), and core::scoring::rna_torsion.

void core::scoring::rna::RNA_TorsionEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  context_graphs_required) const [virtual]

Indicate in the context-graphs-required list which context-graphs this energy method requires that the Pose maintain when doing neighbor evaluation. Context graphs are allowed.

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

void core::scoring::rna::RNA_TorsionEnergy::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::rna::RNA_TorsionPotential::residue_pair_energy(), and core::scoring::rna_torsion.


Member Data Documentation


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