Rosetta 3.4
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#include <SpecialRotamerEnergy.hh>
Public Types | |
typedef core::scoring::methods::ContextIndependentOneBodyEnergy | parent |
Public Member Functions | |
SpecialRotamerEnergy () | |
ctor | |
virtual core::scoring::methods::EnergyMethodOP | clone () const |
clone | |
virtual void | residue_energy (core::conformation::Residue const &rsd, core::pose::Pose const &pose, core::scoring::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 core::Real | eval_dof_derivative (core::id::DOF_ID const &dof_id, core::id::TorsionID const &tor_id, core::pose::Pose const &pose, core::scoring::ScoreFunction const &sfxn, core::scoring::EnergyMap const &weights) const |
virtual void | indicate_required_context_graphs (utility::vector1< bool > &) const |
SpecialRotamerEnergy is context independent; indicates that no context graphs are required. | |
virtual core::Size | version () const |
Return the version of the energy method. |
typedef core::scoring::methods::ContextIndependentOneBodyEnergy protocols::scoring::methods::SpecialRotamerEnergy::parent |
Reimplemented from core::scoring::methods::ContextIndependentOneBodyEnergy.
protocols::scoring::methods::SpecialRotamerEnergy::SpecialRotamerEnergy | ( | ) |
ctor
Referenced by clone().
core::scoring::methods::EnergyMethodOP protocols::scoring::methods::SpecialRotamerEnergy::clone | ( | ) | const [virtual] |
core::Real protocols::scoring::methods::SpecialRotamerEnergy::eval_dof_derivative | ( | core::id::DOF_ID const & | dof_id, |
core::id::TorsionID const & | tor_id, | ||
core::pose::Pose const & | pose, | ||
core::scoring::ScoreFunction const & | sfxn, | ||
core::scoring::EnergyMap const & | weights | ||
) | const [virtual] |
void protocols::scoring::methods::SpecialRotamerEnergy::indicate_required_context_graphs | ( | utility::vector1< bool > & | ) | const [virtual] |
SpecialRotamerEnergy is context independent; indicates that no context graphs are required.
Implements core::scoring::methods::EnergyMethod.
void protocols::scoring::methods::SpecialRotamerEnergy::residue_energy | ( | core::conformation::Residue const & | rsd, |
core::pose::Pose const & | pose, | ||
core::scoring::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::ContextIndependentOneBodyEnergy.
References core::conformation::Residue::has_variant_type(), and core::scoring::special_rot.
core::Size protocols::scoring::methods::SpecialRotamerEnergy::version | ( | ) | const [virtual] |
Return the version of the energy method.
Implements core::scoring::methods::EnergyMethod.