Rosetta 3.4
Public Types | Public Member Functions
protocols::scoring::methods::pcs::PCS_Energy Class Reference

#include <PseudocontactShiftEnergy.hh>

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List of all members.

Public Types

typedef
core::scoring::methods::WholeStructureEnergy 
parent

Public Member Functions

 PCS_Energy ()
 c-tor
 ~PCS_Energy ()
PCS_Energyoperator= (PCS_Energy const &other)
 PCS_Energy (PCS_Energy const &other)
virtual
core::scoring::methods::EnergyMethodOP 
clone () const
 clone
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.
void finalize_total_energy (core::pose::Pose &pose, core::scoring::ScoreFunction const &, core::scoring::EnergyMap &totals) const
 called by the ScoreFunction at the end of energy evaluation. The derived class has the opportunity to accumulate a score into the pose's total_energy EnergyMap. WholeStructure energies operate within this method; any method using a NeighborList during minimization would also operate within this function call.
core::Real calculate_pcs_score (core::pose::Pose &pose, bool print_to_tracer) const
core::Real calculate_scores_and_tensors_from_pose_and_PCS_data (utility::vector1< core::Real > &vec_best_score, utility::vector1< PCS_tensor > &vec_best_tensor, numeric::xyzVector< core::Real > &best_coo, core::pose::Pose const &pdb, PCS_data &pcs_d) const
core::Real minimize_tensors_from_PCS_data (utility::vector1< PCS_tensor > &vec_best_tensor, numeric::xyzVector< core::Real > &best_coo, PCS_data const &pcs_d) const
PCS_dataPCS_data_from_pose (core::pose::Pose &pose) const
void dump_PCS_info (utility::vector1< PCS_tensor > const &vec_tensor, numeric::xyzVector< core::Real > const &best_coo, PCS_data const &pcs_d) const
virtual core::Size version () const
 Return the version of the energy method.

Member Typedef Documentation


Constructor & Destructor Documentation

protocols::scoring::methods::pcs::PCS_Energy::PCS_Energy ( )

c-tor

Referenced by clone().

protocols::scoring::methods::pcs::PCS_Energy::~PCS_Energy ( )
protocols::scoring::methods::pcs::PCS_Energy::PCS_Energy ( PCS_Energy const &  other)

Member Function Documentation

core::Real protocols::scoring::methods::pcs::PCS_Energy::calculate_pcs_score ( core::pose::Pose pose,
bool  print_to_tracer 
) const
core::Real protocols::scoring::methods::pcs::PCS_Energy::calculate_scores_and_tensors_from_pose_and_PCS_data ( utility::vector1< core::Real > &  vec_best_score,
utility::vector1< PCS_tensor > &  vec_best_tensor,
numeric::xyzVector< core::Real > &  best_coo,
core::pose::Pose const &  pdb,
PCS_data pcs_d 
) const
core::scoring::methods::EnergyMethodOP protocols::scoring::methods::pcs::PCS_Energy::clone ( ) const [virtual]

clone

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

References PCS_Energy().

void protocols::scoring::methods::pcs::PCS_Energy::dump_PCS_info ( utility::vector1< PCS_tensor > const &  vec_tensor,
numeric::xyzVector< core::Real > const &  best_coo,
PCS_data const &  pcs_d 
) const
void protocols::scoring::methods::pcs::PCS_Energy::finalize_total_energy ( core::pose::Pose pose,
core::scoring::ScoreFunction const &  sfxn,
core::scoring::EnergyMap total_energy 
) const [virtual]

called by the ScoreFunction at the end of energy evaluation. The derived class has the opportunity to accumulate a score into the pose's total_energy EnergyMap. WholeStructure energies operate within this method; any method using a NeighborList during minimization would also operate within this function call.

called at the end of energy evaluation

Reimplemented from core::scoring::methods::EnergyMethod.

References calculate_pcs_score(), and core::scoring::pcs.

void protocols::scoring::methods::pcs::PCS_Energy::indicate_required_context_graphs ( utility::vector1< bool > &  context_graphs_required) const [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.

core::Real protocols::scoring::methods::pcs::PCS_Energy::minimize_tensors_from_PCS_data ( utility::vector1< PCS_tensor > &  vec_best_tensor,
numeric::xyzVector< core::Real > &  best_coo,
PCS_data const &  pcs_d 
) const
PCS_Energy & protocols::scoring::methods::pcs::PCS_Energy::operator= ( PCS_Energy const &  other)
PCS_data & protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose ( core::pose::Pose pose) const
core::Size protocols::scoring::methods::pcs::PCS_Energy::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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