Rosetta 3.4
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#include <EnsembleEnergy.hh>
Public Types | |
typedef core::scoring::methods::WholeStructureEnergy | parent |
Public Member Functions | |
EnsembleEnergy () | |
c-tor | |
virtual core::scoring::methods::EnergyMethodOP | clone () const |
clone | |
virtual void | finalize_total_energy (core::pose::Pose &pose, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &emap) 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 core::Size | version () const |
Return the version of the energy method. | |
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. |
typedef core::scoring::methods::WholeStructureEnergy protocols::scoring::methods::EnsembleEnergy::parent |
Reimplemented from core::scoring::methods::WholeStructureEnergy.
protocols::scoring::methods::EnsembleEnergy::EnsembleEnergy | ( | ) |
c-tor
Referenced by clone().
core::scoring::methods::EnergyMethodOP protocols::scoring::methods::EnsembleEnergy::clone | ( | ) | const [virtual] |
void protocols::scoring::methods::EnsembleEnergy::finalize_total_energy | ( | core::pose::Pose & | pose, |
core::scoring::ScoreFunction const & | sfxn, | ||
core::scoring::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::pose::datacache::CacheableDataType::ARBITRARY_FLOAT_DATA, core::pose::Pose::data(), core::scoring::dock_ens_conf, and core::sequence::end.
void protocols::scoring::methods::EnsembleEnergy::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.
core::Size protocols::scoring::methods::EnsembleEnergy::version | ( | ) | const [virtual] |
Return the version of the energy method.
Implements core::scoring::methods::EnergyMethod.