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Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::mpi_refinement::Serial_Refine Class Reference

#include <Serial_Refine.hh>

Public Member Functions

 Serial_Refine ()
 
 ~Serial_Refine ()
 
void set_defaults ()
 
core::Real apply (core::pose::Pose &pose, utility::vector1< core::Size > fixres)
 
void init ()
 

Private Member Functions

void load_structures_from_cmdline_into_library (core::pose::Pose const &pose, protocols::wum::SilentStructStore &library)
 
protocols::wum::SilentStructStore perturb (MethodParams const &params, const core::io::silent::SilentStructOP &start_struct)
 
void dump_structures (protocols::wum::SilentStructStore const &new_structs, bool score_only, std::string prefix) const
 
core::pose::Pose get_average_structure (protocols::wum::SilentStructStore &decoys, utility::vector1< core::Size > const touse, std::string const columnname, bool const minimize) const
 

Private Attributes

protocols::wum::SilentStructStore library_central_
 
protocols::wum::SilentStructStore library_ref_
 
bool native_given_
 
core::pose::Pose native_pose_
 
Scheduler scheduler_
 
MultiObjectiveOP fobj_
 
std::map< std::string, core::Sizessids_by_name_
 

Constructor & Destructor Documentation

◆ Serial_Refine()

protocols::mpi_refinement::Serial_Refine::Serial_Refine ( )

References core::init::init().

◆ ~Serial_Refine()

protocols::mpi_refinement::Serial_Refine::~Serial_Refine ( )
default

Member Function Documentation

◆ apply()

core::Real protocols::mpi_refinement::Serial_Refine::apply ( core::pose::Pose pose,
utility::vector1< core::Size fixres 
)

◆ dump_structures()

void protocols::mpi_refinement::Serial_Refine::dump_structures ( protocols::wum::SilentStructStore const &  new_structs,
bool  score_only,
std::string  prefix 
) const
private

◆ get_average_structure()

core::pose::Pose protocols::mpi_refinement::Serial_Refine::get_average_structure ( protocols::wum::SilentStructStore decoys,
utility::vector1< core::Size > const  touse,
std::string const  columnname,
bool const  minimize 
) const
private

◆ init()

void protocols::mpi_refinement::Serial_Refine::init ( void  )

◆ load_structures_from_cmdline_into_library()

void protocols::mpi_refinement::Serial_Refine::load_structures_from_cmdline_into_library ( core::pose::Pose const &  pose,
protocols::wum::SilentStructStore library 
)
private

◆ perturb()

SilentStructStore protocols::mpi_refinement::Serial_Refine::perturb ( MethodParams const &  params,
const core::io::silent::SilentStructOP start_struct 
)
private

◆ set_defaults()

void protocols::mpi_refinement::Serial_Refine::set_defaults ( )

Member Data Documentation

◆ fobj_

MultiObjectiveOP protocols::mpi_refinement::Serial_Refine::fobj_
private

◆ library_central_

protocols::wum::SilentStructStore protocols::mpi_refinement::Serial_Refine::library_central_
private

◆ library_ref_

protocols::wum::SilentStructStore protocols::mpi_refinement::Serial_Refine::library_ref_
private

◆ native_given_

bool protocols::mpi_refinement::Serial_Refine::native_given_
private

◆ native_pose_

core::pose::Pose protocols::mpi_refinement::Serial_Refine::native_pose_
private

◆ scheduler_

Scheduler protocols::mpi_refinement::Serial_Refine::scheduler_
private

◆ ssids_by_name_

std::map< std::string, core::Size > protocols::mpi_refinement::Serial_Refine::ssids_by_name_
private

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