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Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies Class Reference

#include <RotamerData.hh>

Public Member Functions

 RotamerPairEnergies ()
 
void clear ()
 
void add_residue (core::Size nrots_i)
 
void finalize ()
 
ReweightableRepEnergyenergy1b (core::Size ires, core::Size irot)
 
ReweightableRepEnergyenergy2b (core::Size ires, core::Size irot, core::Size jres, core::Size jrot)
 
ReweightableRepEnergyenergyBG (core::Size ires, core::Size irot)
 

Private Member Functions

ReweightableRepEnergyenergy (core::Size ii, core::Size jj)
 

Private Attributes

utility::vector1
< ReweightableRepEnergy
energy_table_
 
utility::vector1< core::Sizerot_counts_
 
core::Size nrots_
 

Constructor & Destructor Documentation

protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::RotamerPairEnergies ( )

References nrots_.

Member Function Documentation

void protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::add_residue ( core::Size  nrots_i)
void protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::clear ( )
ReweightableRepEnergy & protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::energy ( core::Size  ii,
core::Size  jj 
)
private

References energy_table_.

Referenced by energy1b(), energy2b(), and energyBG().

ReweightableRepEnergy & protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::energy1b ( core::Size  ires,
core::Size  irot 
)
ReweightableRepEnergy & protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::energy2b ( core::Size  ires,
core::Size  irot,
core::Size  jres,
core::Size  jrot 
)
ReweightableRepEnergy & protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::energyBG ( core::Size  ires,
core::Size  irot 
)
void protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::finalize ( )

Member Data Documentation

utility::vector1< ReweightableRepEnergy > protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::energy_table_
private

Referenced by clear(), energy(), and finalize().

core::Size protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::nrots_
private
utility::vector1< core::Size > protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies::rot_counts_
private

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