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

#include <WaterAdductIntraEnergy.hh>

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List of all members.

Public Types

typedef
ContextIndependentOneBodyEnergy 
parent

Public Member Functions

 WaterAdductIntraEnergy ()
 ctor
virtual EnergyMethodOP clone () const
 clone
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 Real eval_dof_derivative (id::DOF_ID const &dof_id, id::TorsionID const &tor_id, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights) const
virtual void indicate_required_context_graphs (utility::vector1< bool > &) const
 WaterAdductIntraEnergy is context independent; indicates that no context graphs are required.
virtual core::Size version () const
 Return the version of the energy method.

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::methods::WaterAdductIntraEnergy::WaterAdductIntraEnergy ( )

ctor

Referenced by clone().


Member Function Documentation

EnergyMethodOP core::scoring::methods::WaterAdductIntraEnergy::clone ( ) const [virtual]
Real core::scoring::methods::WaterAdductIntraEnergy::eval_dof_derivative ( id::DOF_ID const &  dof_id,
id::TorsionID const &  tor_id,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap const &  weights 
) const [virtual]
void core::scoring::methods::WaterAdductIntraEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  ) const [virtual]

WaterAdductIntraEnergy is context independent; indicates that no context graphs are required.

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

void core::scoring::methods::WaterAdductIntraEnergy::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::ContextIndependentOneBodyEnergy.

References core::conformation::Residue::atom_type(), core::scoring::h2o_intra, core::chemical::AtomType::is_h2o(), and core::conformation::Residue::natoms().

core::Size core::scoring::methods::WaterAdductIntraEnergy::version ( ) const [virtual]

Return the version of the energy method.

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


The documentation for this class was generated from the following files:
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