Rosetta 3.4
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#include <RG_Energy.hh>
Public Member Functions | |
RG_Energy () | |
virtual EnergyMethodOP | clone () const |
clone | |
void | finalize_total_energy (pose::Pose &pose, ScoreFunction const &, EnergyMap &totals) const |
Calculate the radius of gyration and place the answer into totals[ rg ]. | |
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. |
core::scoring::methods::RG_Energy::RG_Energy | ( | ) |
THIS CLASS IS DEPRICATED. USE RG_Energy_Fast
Referenced by clone().
EnergyMethodOP core::scoring::methods::RG_Energy::clone | ( | ) | const [virtual] |
void core::scoring::methods::RG_Energy::finalize_total_energy | ( | pose::Pose & | pose, |
ScoreFunction const & | , | ||
EnergyMap & | totals | ||
) | const [virtual] |
Calculate the radius of gyration and place the answer into totals[ rg ].
Reimplemented from core::scoring::methods::EnergyMethod.
References core::kinematics::tree::distance_squared(), core::conformation::Residue::nbr_atom_xyz(), core::pose::Pose::residue(), core::scoring::rg, RG(), and core::pose::Pose::total_residue().
void core::scoring::methods::RG_Energy::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.