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protocols::ligand_docking::ga_ligand_dock::OutputStructureStore Class Reference

helper class to manage multiple outputs More...

#include <GALigandDock.hh>

Public Member Functions

 OutputStructureStore ()
 
void push (core::pose::Pose const &pose, core::Real E, core::Real rms=0.0, core::Real ligandscore=0.0, core::Real recscore=0.0, core::Size ranking_prerelax=0, std::string ligandname="")
 
void pop (core::pose::Pose &pose, core::Real &E, core::Real &rms, core::Real &ligandscore, core::Real &recscore, core::Size &ranking_prerelax, std::string &ligandname)
 
core::pose::PoseOP pop ()
 
void clear ()
 
bool has_data ()
 
core::Size size ()
 

Private Attributes

std::priority_queue
< StructInfo, std::vector
< StructInfo >, StructInfoComp
struct_store_
 

Detailed Description

helper class to manage multiple outputs

Constructor & Destructor Documentation

protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::OutputStructureStore ( )
inline

Member Function Documentation

void protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::clear ( )
inline

References struct_store_.

bool protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::has_data ( )
inline

References struct_store_.

Referenced by pop().

void protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::pop ( core::pose::Pose pose,
core::Real E,
core::Real rms,
core::Real ligandscore,
core::Real recscore,
core::Size ranking_prerelax,
std::string &  ligandname 
)
inline
core::pose::PoseOP protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::pop ( )
inline
void protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::push ( core::pose::Pose const &  pose,
core::Real  E,
core::Real  rms = 0.0,
core::Real  ligandscore = 0.0,
core::Real  recscore = 0.0,
core::Size  ranking_prerelax = 0,
std::string  ligandname = "" 
)
inline
core::Size protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::size ( )
inline

References struct_store_.

Member Data Documentation

std::priority_queue< StructInfo, std::vector<StructInfo> , StructInfoComp > protocols::ligand_docking::ga_ligand_dock::OutputStructureStore::struct_store_
private

Referenced by clear(), has_data(), pop(), push(), and size().


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