Rosetta 3.4
Public Types | Public Member Functions
core::scoring::etable::CoarseEtableEnergy Class Reference

#include <CoarseEtableEnergy.hh>

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List of all members.

Public Types

typedef BaseEtableEnergy
< CoarseEtableEnergy
parent

Public Member Functions

 CoarseEtableEnergy (Etable const &etable_in, methods::EnergyMethodOptions const &options, coarse::CoarseEtableCAP coarse_etable_in)
 Constructor that belongs in a .cc file!
EnergyMethodOP clone () const
void derived_prepare_for_residue_pair (Size const res1, Size const res2, pose::Pose const &pose) const
void indicate_required_context_graphs (utility::vector1< bool > &context_graphs_required) 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.
void setup_for_scoring_ (pose::Pose const &pose, scoring::ScoreFunction const &) const
void atom_pair_energy_ (conformation::Atom const &atom1, conformation::Atom const &atom2, Real const weight, Energy &atr, Energy &rep, Energy &solv, Energy &bb, Real &dsq) const
void pair_energy_H_ (conformation::Atom const &atom1, conformation::Atom const &atom2, Real weight, Energy &atr, Energy &rep, Energy &solv, Energy &bb) const
Real eval_dE_dR_over_r_ (conformation::Atom const &atom1, conformation::Atom const &atom2, EnergyMap const &weights, Vector &f1, Vector &f2) 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 void eval_intrares_energy (conformation::Residue const &, pose::Pose const &, ScoreFunction const &, EnergyMap &) const
 Evaluate the intra-residue energy for a given residue.

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::etable::CoarseEtableEnergy::CoarseEtableEnergy ( Etable const &  etable_in,
methods::EnergyMethodOptions const &  options,
coarse::CoarseEtableCAP  coarse_etable_in 
)

Constructor that belongs in a .cc file!

References core::scoring::etable::Etable::atom_set().

Referenced by clone().


Member Function Documentation

void core::scoring::etable::CoarseEtableEnergy::atom_pair_energy_ ( conformation::Atom const &  atom1,
conformation::Atom const &  atom2,
Real const  weight,
Energy atr,
Energy rep,
Energy solv,
Energy bb,
Real dsq 
) const [inline]
EnergyMethodOP core::scoring::etable::CoarseEtableEnergy::clone ( ) const [inline, virtual]
virtual bool core::scoring::etable::CoarseEtableEnergy::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.

void core::scoring::etable::CoarseEtableEnergy::derived_prepare_for_residue_pair ( Size const  res1,
Size const  res2,
pose::Pose const &  pose 
) const
Real core::scoring::etable::CoarseEtableEnergy::eval_dE_dR_over_r_ ( conformation::Atom const &  atom1,
conformation::Atom const &  atom2,
EnergyMap const &  weights,
Vector f1,
Vector f2 
) const [inline]
virtual void core::scoring::etable::CoarseEtableEnergy::eval_intrares_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [inline, virtual]

Evaluate the intra-residue energy for a given residue.

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

void core::scoring::etable::CoarseEtableEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  context_graphs_required) const [inline, 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.

Reimplemented from core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >.

References core::scoring::ten_A_neighbor_graph.

void core::scoring::etable::CoarseEtableEnergy::pair_energy_H_ ( conformation::Atom const &  atom1,
conformation::Atom const &  atom2,
Real  weight,
Energy atr,
Energy rep,
Energy solv,
Energy bb 
) const [inline]
void core::scoring::etable::CoarseEtableEnergy::setup_for_scoring_ ( pose::Pose const &  pose,
scoring::ScoreFunction const &   
) const

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