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

#include <SuckerEnergy.hh>

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List of all members.

Public Types

typedef
ContextIndependentTwoBodyEnergy 
parent

Public Member Functions

 SuckerEnergy ()
 ~SuckerEnergy ()
virtual EnergyMethodOP clone () const
 clone
virtual void residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &scorefxn, 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 &atom_id, pose::Pose const &pose, kinematics::DomainMap const &domain_map, ScoreFunction const &, EnergyMap const &weights, Vector &F1, Vector &F2) const
virtual Distance atomic_interaction_cutoff () const
 SuckerEnergy distance cutoff set to the same cutoff used by EtableEnergy, for now.
Distance interaction_cutoff () const
virtual void indicate_required_context_graphs (utility::vector1< bool > &context_graphs_required) const
 SuckerEnergy requires that Energies class maintains a TenANeighborGraph.
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 &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the intra-residue energy for a given residue.

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::methods::SuckerEnergy::SuckerEnergy ( )

Referenced by clone().

core::scoring::methods::SuckerEnergy::~SuckerEnergy ( )

Member Function Documentation

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

SuckerEnergy distance cutoff set to the same cutoff used by EtableEnergy, for now.

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

References interaction_cutoff().

EnergyMethodOP core::scoring::methods::SuckerEnergy::clone ( ) const [virtual]
virtual bool core::scoring::methods::SuckerEnergy::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::methods::SuckerEnergy::eval_atom_derivative ( id::AtomID const &  id,
pose::Pose const &  pose,
kinematics::DomainMap const &  domain_map,
ScoreFunction const &  ,
EnergyMap const &  weights,
Vector F1,
Vector F2 
) const [virtual]
void core::scoring::methods::SuckerEnergy::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::SuckerEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  context_graphs_required) const [virtual]

SuckerEnergy requires that Energies class maintains a TenANeighborGraph.

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

Distance core::scoring::methods::SuckerEnergy::interaction_cutoff ( ) const

non-virtual accessor for speed

non-virtual accessor for speed; assumption: SuckerEnergy is not inherrited from.

References DIST_TH.

Referenced by atomic_interaction_cutoff().

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

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