Rosetta 3.4
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#include <ResidualDipolarCouplingEnergyRigidSegments.hh>
Public Types | |
typedef core::scoring::methods::WholeStructureEnergy | parent |
Public Member Functions | |
ResidualDipolarCouplingEnergyRigidSegments () | |
virtual core::scoring::methods::EnergyMethodOP | clone () const |
virtual void | setup_for_scoring (core::pose::Pose &, core::scoring::ScoreFunction const &) const |
void | finalize_total_energy (core::pose::Pose &pose, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &totals) const |
Called at the beginning of atom tree minimization, this method allows the derived class the opportunity to initialize pertinent data that will be used during minimization. During minimzation, the chemical structure of the pose is constant, so assumptions on the number of atoms per residue and their identities are safe so long as the pose's Energies object's "use_nblist()" method returns true. | |
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::ResidualDipolarCouplingEnergyRigidSegments::parent |
Reimplemented from core::scoring::methods::WholeStructureEnergy.
protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::ResidualDipolarCouplingEnergyRigidSegments | ( | ) |
Referenced by clone().
core::scoring::methods::EnergyMethodOP protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::clone | ( | ) | const [virtual] |
Implements core::scoring::methods::EnergyMethod.
References ResidualDipolarCouplingEnergyRigidSegments().
void protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::finalize_total_energy | ( | core::pose::Pose & | pose, |
core::scoring::ScoreFunction const & | , | ||
core::scoring::EnergyMap & | totals | ||
) | const [virtual] |
Called at the beginning of atom tree minimization, this method allows the derived class the opportunity to initialize pertinent data that will be used during minimization. During minimzation, the chemical structure of the pose is constant, so assumptions on the number of atoms per residue and their identities are safe so long as the pose's Energies object's "use_nblist()" method returns true.
Reimplemented from core::scoring::methods::EnergyMethod.
References core::scoring::rdc_segments.
void protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::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.
void protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::setup_for_scoring | ( | core::pose::Pose & | pose, |
core::scoring::ScoreFunction const & | |||
) | const [virtual] |
Reimplemented from core::scoring::methods::EnergyMethod.