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

#include <MembraneCbetaEnergy.hh>

Inheritance diagram for core::scoring::methods::MembraneCbetaEnergy:
Inheritance graph
[legend]
Collaboration diagram for core::scoring::methods::MembraneCbetaEnergy:
Collaboration graph
[legend]

List of all members.

Public Types

typedef
ContextDependentOneBodyEnergy 
parent

Public Member Functions

 MembraneCbetaEnergy ()
 c-tor
virtual EnergyMethodOP clone () const
 clone
virtual void setup_for_scoring (pose::Pose &pose, ScoreFunction const &) const
virtual void residue_energy (conformation::Residue const &rsd, pose::Pose const &pose, EnergyMap &emap) const
 Evaluate the one-body energies for a particular residue, in the context of a given Pose, and increment those energies in the input Emap (do not overwrite them).
virtual void finalize_total_energy (pose::Pose &pose, ScoreFunction const &, EnergyMap &) const
 called by the ScoreFunction at the end of energy evaluation. The derived class has the opportunity to accumulate a score into the pose's total_energy EnergyMap. WholeStructure energies operate within this method; any method using a NeighborList during minimization would also operate within this function call.
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.
MembraneTopology const & MembraneTopology_from_pose (pose::Pose const &pose) const

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::methods::MembraneCbetaEnergy::MembraneCbetaEnergy ( )

c-tor

Referenced by clone().


Member Function Documentation

EnergyMethodOP core::scoring::methods::MembraneCbetaEnergy::clone ( ) const [virtual]
void core::scoring::methods::MembraneCbetaEnergy::finalize_total_energy ( pose::Pose pose,
ScoreFunction const &  sfxn,
EnergyMap total_energy 
) const [virtual]

called by the ScoreFunction at the end of energy evaluation. The derived class has the opportunity to accumulate a score into the pose's total_energy EnergyMap. WholeStructure energies operate within this method; any method using a NeighborList during minimization would also operate within this function call.

called at the end of energy evaluation

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

References core::scoring::MembranePotential::finalize().

virtual void core::scoring::methods::MembraneCbetaEnergy::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.

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

MembraneTopology const & core::scoring::methods::MembraneCbetaEnergy::MembraneTopology_from_pose ( pose::Pose const &  pose) const
void core::scoring::methods::MembraneCbetaEnergy::residue_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
EnergyMap emap 
) const [virtual]

Evaluate the one-body energies for a particular residue, in the context of a given Pose, and increment those energies in the input Emap (do not overwrite them).

Implements core::scoring::methods::ContextDependentOneBodyEnergy.

References core::conformation::Residue::aa(), core::chemical::aa_vrt, core::scoring::MembraneTopology::allow_scoring(), core::scoring::MembranePotential::evaluate_cbeta(), core::scoring::Mcbeta, MembraneTopology_from_pose(), and core::conformation::Residue::seqpos().

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

The documentation for this class was generated from the following files:
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines