Rosetta 3.4
Public Types | Public Member Functions
protocols::scoring::methods::pcs2::PcsEnergy Class Reference

#include <PcsEnergy.hh>

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List of all members.

Public Types

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

Public Member Functions

 PcsEnergy ()
 c-tor
 ~PcsEnergy ()
PcsEnergyoperator= (PcsEnergy const &other)
 PcsEnergy (PcsEnergy 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
 This is called to start the PCS machinerie and get the score (set in totals)
core::Real calculate_pcs_score_on_PCS_data_center_CA (core::pose::Pose &pose, bool print_to_tracer, PcsDataCenter &pcs_d, core::Size i_multi_data, GridSearchIteratorCA &grid_it) const
 Return the PCS score given the pose, the given PcsDataCenter, and the lanthanide number.
core::Real CA_search_scores_and_tensors (utility::vector1< core::Real > &vec_best_score, utility::vector1< PcsTensor > &vec_best_tensor, numeric::xyzVector< core::Real > &best_coo, core::pose::Pose const &pdb, PcsDataCenter &pcs_d, core::Size i_multi_data, GridSearchIteratorCA &grid_it) const
 Return the PCS score given the pose, the given PcsDataCenter, and the lanthanide number, return the vec of best score, vec of best tensor, and the vec of best x-y-z coordinate.
core::Real CA_search_scores_and_tensors_with_svd (utility::vector1< core::Real > &vec_best_score, utility::vector1< PcsTensor > &vec_best_tensor, numeric::xyzVector< core::Real > &best_coo, core::pose::Pose const &, PcsDataCenter &pcs_d_c, core::Size, GridSearchIteratorCA &grid_it) const
core::Real minimize_tensors_from_PCS_data (utility::vector1< PcsTensor > &vec_best_tensor, numeric::xyzVector< core::Real > &best_coo, PcsDataCenter const &pcs_d, core::optimization::Minimizer &minimizer, utility::vector1< core::Real > &vect_to_opti) const
core::Real minimize_tensors_from_PCS_data_with_svd (utility::vector1< PcsTensor > &vec_best_tensor, numeric::xyzVector< core::Real > &best_coo, PcsDataCenter const &, core::optimization::Minimizer &minimizer, utility::vector1< core::Real > &vect_to_opti) const
core::Real minimize_tensors_fix_from_PCS_data (utility::vector1< PcsTensor > &vec_best_tensor, PcsDataCenter const &pcs_d) const
PcsDataCenterManagerPCS_multi_data_from_pose (core::pose::Pose &pose) const
PcsDataCenterManagerSingletonPCS_multi_data_from_noone () const
void dump_PCS_info (utility::vector1< PcsTensor > const &vec_tensor, numeric::xyzVector< core::Real > const &best_coo, PcsDataCenter 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::pcs2::PcsEnergy::PcsEnergy ( )

c-tor

Referenced by clone().

protocols::scoring::methods::pcs2::PcsEnergy::~PcsEnergy ( )
protocols::scoring::methods::pcs2::PcsEnergy::PcsEnergy ( PcsEnergy const &  other)

Member Function Documentation

core::Real protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors ( utility::vector1< core::Real > &  vec_best_score,
utility::vector1< PcsTensor > &  vec_best_tensor,
numeric::xyzVector< core::Real > &  best_coo,
core::pose::Pose const &  pdb,
PcsDataCenter pcs_d,
core::Size  i_multi_data,
GridSearchIteratorCA grid_it 
) const
core::Real protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors_with_svd ( utility::vector1< core::Real > &  vec_best_score,
utility::vector1< PcsTensor > &  vec_best_tensor,
numeric::xyzVector< core::Real > &  best_coo,
core::pose::Pose const &  ,
PcsDataCenter pcs_d_c,
core::Size  ,
GridSearchIteratorCA grid_it 
) const
core::Real protocols::scoring::methods::pcs2::PcsEnergy::calculate_pcs_score_on_PCS_data_center_CA ( core::pose::Pose pose,
bool  print_to_tracer,
PcsDataCenter pcs_d,
core::Size  i_multi_data,
GridSearchIteratorCA grid_it 
) const
core::scoring::methods::EnergyMethodOP protocols::scoring::methods::pcs2::PcsEnergy::clone ( ) const [virtual]

clone

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

References PcsEnergy().

void protocols::scoring::methods::pcs2::PcsEnergy::dump_PCS_info ( utility::vector1< PcsTensor > const &  vec_tensor,
numeric::xyzVector< core::Real > const &  best_coo,
PcsDataCenter const &  pcs_d 
) const
void protocols::scoring::methods::pcs2::PcsEnergy::finalize_total_energy ( core::pose::Pose pose,
core::scoring::ScoreFunction const &  ,
core::scoring::EnergyMap totals 
) const [virtual]
void protocols::scoring::methods::pcs2::PcsEnergy::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::pcs2::PcsEnergy::minimize_tensors_fix_from_PCS_data ( utility::vector1< PcsTensor > &  vec_best_tensor,
PcsDataCenter const &  pcs_d 
) const
core::Real protocols::scoring::methods::pcs2::PcsEnergy::minimize_tensors_from_PCS_data ( utility::vector1< PcsTensor > &  vec_best_tensor,
numeric::xyzVector< core::Real > &  best_coo,
PcsDataCenter const &  pcs_d,
core::optimization::Minimizer minimizer,
utility::vector1< core::Real > &  vect_to_opti 
) const
core::Real protocols::scoring::methods::pcs2::PcsEnergy::minimize_tensors_from_PCS_data_with_svd ( utility::vector1< PcsTensor > &  vec_best_tensor,
numeric::xyzVector< core::Real > &  best_coo,
PcsDataCenter const &  ,
core::optimization::Minimizer minimizer,
utility::vector1< core::Real > &  vect_to_opti 
) const
PcsEnergy & protocols::scoring::methods::pcs2::PcsEnergy::operator= ( PcsEnergy const &  other)
PcsDataCenterManagerSingleton & protocols::scoring::methods::pcs2::PcsEnergy::PCS_multi_data_from_noone ( ) const
PcsDataCenterManager & protocols::scoring::methods::pcs2::PcsEnergy::PCS_multi_data_from_pose ( core::pose::Pose pose) const
core::Size protocols::scoring::methods::pcs2::PcsEnergy::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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