Rosetta 3.4
Public Types | Public Member Functions
protocols::fldsgn::potentials::AACompositionEnergy Class Reference

AACompositionEnergy. More...

#include <AACompositionEnergy.hh>

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List of all members.

Public Types

typedef
core::scoring::methods::ContextDependentOneBodyEnergy 
parent
typedef core::chemical::AA AA
typedef core::conformation::Residue Residue
typedef core::Real Real
typedef core::pose::Pose Pose
typedef core::scoring::EnergyMap EnergyMap
typedef
core::scoring::ScoreFunction 
ScoreFunction
typedef core::scoring::ScoreTypes ScoreTypes
typedef
core::scoring::methods::EnergyMethodOP 
EnergyMethodOP

Public Member Functions

 AACompositionEnergy ()
 default constructor
 AACompositionEnergy (std::map< AA, std::pair< Real, Real > > const &comp_constraint_aas)
 value constructor
 AACompositionEnergy (AACompositionEnergy const &src)
 copy constructor
virtual ~AACompositionEnergy ()
 destructor
virtual EnergyMethodOP clone () const
 clone
void set_comp_constraint_aa (std::map< AA, std::pair< Real, Real > > const &comp_constraint_aas)
 use GoPotential
virtual void residue_energy (Residue const &rsd, 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 void indicate_required_context_graphs (utility::vector1< bool > &) const
 scoring
virtual Size version () const
 Return the version of the energy method.

Detailed Description

AACompositionEnergy.


Member Typedef Documentation


Constructor & Destructor Documentation

protocols::fldsgn::potentials::AACompositionEnergy::AACompositionEnergy ( )

default constructor

Referenced by clone().

protocols::fldsgn::potentials::AACompositionEnergy::AACompositionEnergy ( std::map< AA, std::pair< Real, Real > > const &  comp_constraint_aas)

value constructor

default constructor

protocols::fldsgn::potentials::AACompositionEnergy::AACompositionEnergy ( AACompositionEnergy const &  src)

copy constructor

protocols::fldsgn::potentials::AACompositionEnergy::~AACompositionEnergy ( ) [virtual]

destructor


Member Function Documentation

AACompositionEnergy::EnergyMethodOP protocols::fldsgn::potentials::AACompositionEnergy::clone ( ) const [virtual]
void protocols::fldsgn::potentials::AACompositionEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  ) const [virtual]

scoring

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

scoring DunbrackEnergy is context independent; indicates that no context graphs are required

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

void protocols::fldsgn::potentials::AACompositionEnergy::residue_energy ( Residue const &  rsd,
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::ContextDependentOneBodyEnergy.

References core::conformation::Residue::aa(), core::pose::Pose::aa(), core::scoring::aa_cmp, core::chemical::num_aa_types, core::conformation::Residue::seqpos(), core::scoring::electron_density::square(), and core::pose::Pose::total_residue().

void protocols::fldsgn::potentials::AACompositionEnergy::set_comp_constraint_aa ( std::map< AA, std::pair< Real, Real > > const &  comp_constraint_aas)

use GoPotential

virtual Size protocols::fldsgn::potentials::AACompositionEnergy::version ( ) const [inline, 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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