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

LinearChainbreakEnergy class iterates across all residues in finalize() and determines the penalty between residues i and i+1 by how much their psueduo atoms do not align. More...

#include <LinearChainbreakEnergy.hh>

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List of all members.

Public Types

typedef WholeStructureEnergy parent

Public Member Functions

 LinearChainbreakEnergy ()
 LinearChainbreakEnergy (Size allowable_sequence_sep)
 LinearChainbreakEnergy (const LinearChainbreakEnergy &)
 The auto-generated copy constructor does not properly handle smart pointer types, so we must explicitly define our own.
LinearChainbreakEnergyoperator= (const LinearChainbreakEnergy &)
 The auto-generated operator=() method does not properly handle pointer types.
 ~LinearChainbreakEnergy ()
virtual EnergyMethodOP clone () const
 clone
virtual void finalize_total_energy (pose::Pose &pose, ScoreFunction const &, EnergyMap &totals) const
 called at the end of energy evaluation
virtual void eval_atom_derivative (id::AtomID const &id, pose::Pose const &pose, kinematics::DomainMap const &domain_map, ScoreFunction const &sfxn, EnergyMap const &weights, Vector &F1, Vector &F2) const
 called during gradient-based minimization inside dfunc
virtual void indicate_required_context_graphs (utility::vector1< bool > &) const
 LinearChainbreak Energy is context independent and thus indicates that no context graphs need to be maintained by class Energies.

Detailed Description

LinearChainbreakEnergy class iterates across all residues in finalize() and determines the penalty between residues i and i+1 by how much their psueduo atoms do not align.


Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::methods::LinearChainbreakEnergy::LinearChainbreakEnergy ( )

References core::SZ_MAX.

Referenced by clone().

core::scoring::methods::LinearChainbreakEnergy::LinearChainbreakEnergy ( Size  allowable_sequence_sep) [explicit]
core::scoring::methods::LinearChainbreakEnergy::LinearChainbreakEnergy ( const LinearChainbreakEnergy o)

The auto-generated copy constructor does not properly handle smart pointer types, so we must explicitly define our own.

core::scoring::methods::LinearChainbreakEnergy::~LinearChainbreakEnergy ( )

Member Function Documentation

virtual EnergyMethodOP core::scoring::methods::LinearChainbreakEnergy::clone ( ) const [inline, virtual]
void core::scoring::methods::LinearChainbreakEnergy::eval_atom_derivative ( id::AtomID const &  id,
pose::Pose const &  pose,
kinematics::DomainMap const &  domain_map,
ScoreFunction const &  sfxn,
EnergyMap const &  weights,
Vector F1,
Vector F2 
) const [virtual]
void core::scoring::methods::LinearChainbreakEnergy::finalize_total_energy ( pose::Pose pose,
ScoreFunction const &  ,
EnergyMap totals 
) const [virtual]
void core::scoring::methods::LinearChainbreakEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  ) const [virtual]

LinearChainbreak Energy is context independent and thus indicates that no context graphs need to be maintained by class Energies.

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

LinearChainbreakEnergy & core::scoring::methods::LinearChainbreakEnergy::operator= ( const LinearChainbreakEnergy o)

The auto-generated operator=() method does not properly handle pointer types.


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