protocols::mpi_refinement::Scheduler Class Reference

#include <Scheduler.hh>

Public Member Functions
	Scheduler ()
	~Scheduler ()
void	prepare_search_stage (core::Size const mpi_rank)
void	prepare_enrich_stage (protocols::wum::SilentStructStore const &decoys, std::string const &scorename)
void	proceed ()
void	clear ()
void	set_random (bool const value)
core::Size	n_to_gen () const
core::Size	nparams () const
core::Size	iter () const
core::Size	n_to_rerelax () const
core::Size	n_rerelaxed () const
core::Size	npick_per_iter () const
std::string const	pick_strategy ()
std::string const	pick_objfunction ()
std::string const	methodname (core::Size value) const
void	add_rerelaxed (core::Size const value)
void	add_torerelax (core::Size const value)
bool	final_iter () const
utility::vector1< core::Size >	methods_picked () const
MethodParams const	get_params () const
MethodParams const	get_params (core::Size const imethod) const
std::string	roundtype () const
bool	round_expired () const
bool	is_excluded (utility::vector1< std::string > picked, std::string name2) const

Private Member Functions
void	set_default ()
void	add_fresh_param (std::string const &name)
void	read_cmd (std::string const &cmdfile, core::Size const mpi_rank, core::Size const stage_to_run=1)
utility::vector1< core::Size >	pick_enrich_methods (protocols::wum::SilentStructStore const &decoys, std::string const &scorename) const

Private Attributes
bool	is_random_
utility::vector1< MethodParams >	params_
utility::vector1< core::Size >	methods_picked_
std::map< core::Size, std::string >	methodname_
core::Size	isch_
core::Size	niter_
core::Size	iter_
core::Size	npick_per_iter_
std::string	pick_strategy_
std::string	pick_objfunction_
core::Size	n_to_rerelax_
core::Size	n_rerelaxed_
core::Size	nmethods_enrich_max_
core::Real	enrich_Zscore_cut_
core::Real	Zdiff_outstand_
utility::vector1< std::pair< std::string, std::string > >	exclusions_

Constructor & Destructor Documentation

Scheduler()

protocols::mpi_refinement::Scheduler::Scheduler

(

)

References clear(), and set_default().

~Scheduler()

protocols::mpi_refinement::Scheduler::~Scheduler ( )

default

Member Function Documentation

add_fresh_param()

void protocols::mpi_refinement::Scheduler::add_fresh_param ( std::string const &  name )

private

References protocols::mpi_refinement::MethodParams::cstw, protocols::mpi_refinement::MethodParams::fshave1, protocols::mpi_refinement::MethodParams::fshave2, protocols::mpi_refinement::MethodParams::index, protocols::mpi_refinement::MethodParams::irun, protocols::mpi_refinement::MethodParams::istart, protocols::mpi_refinement::MethodParams::movertype, protocols::mpi_refinement::MethodParams::name, protocols::mpi_refinement::MethodParams::nperrun, protocols::mpi_refinement::MethodParams::nrun, params_, protocols::mpi_refinement::MethodParams::relax_type, protocols::mpi_refinement::MethodParams::rerelax_type, protocols::mpi_refinement::MethodParams::roundtype, and protocols::mpi_refinement::MethodParams::score_type.

Referenced by read_cmd().

add_rerelaxed()

void protocols::mpi_refinement::Scheduler::add_rerelaxed ( core::Size const  value )

inline

References n_rerelaxed_, and n_to_rerelax_.

add_torerelax()

void protocols::mpi_refinement::Scheduler::add_torerelax ( core::Size const  value )

inline

References n_to_rerelax_.

clear()

void protocols::mpi_refinement::Scheduler::clear

(

)

References isch_, methodname_, methods_picked_, and params_.

Referenced by read_cmd(), and Scheduler().

final_iter()

bool protocols::mpi_refinement::Scheduler::final_iter ( ) const

inline

References iter_, and niter_.

get_params() [1/2]

MethodParams const protocols::mpi_refinement::Scheduler::get_params ( ) const

inline

References isch_, and params_.

get_params() [2/2]

MethodParams const protocols::mpi_refinement::Scheduler::get_params

(

core::Size const

imethod

)

const

References params_.

is_excluded()

bool protocols::mpi_refinement::Scheduler::is_excluded	(	utility::vector1< std::string >	picked,
		std::string	name2
	)		const

References exclusions_.

Referenced by pick_enrich_methods().

iter()

core::Size protocols::mpi_refinement::Scheduler::iter ( ) const

inline

References iter_.

methodname()

std::string const protocols::mpi_refinement::Scheduler::methodname ( core::Size  value ) const

inline

References methodname_.

Referenced by pick_enrich_methods().

methods_picked()

utility::vector1< core::Size > protocols::mpi_refinement::Scheduler::methods_picked ( ) const

inline

References methods_picked_.

Referenced by pick_enrich_methods().

n_rerelaxed()

core::Size protocols::mpi_refinement::Scheduler::n_rerelaxed ( ) const

inline

References n_rerelaxed_.

n_to_gen()

core::Size protocols::mpi_refinement::Scheduler::n_to_gen

(

)

const

References protocols::mpi_refinement::MethodParams::fshave1, protocols::mpi_refinement::MethodParams::movertype, protocols::mpi_refinement::MethodParams::nperrun, protocols::mpi_refinement::MethodParams::nrun, and params_.

Referenced by protocols::mpi_refinement::MPI_Refine_Master::n_to_gen().

n_to_rerelax()

core::Size protocols::mpi_refinement::Scheduler::n_to_rerelax ( ) const

inline

References n_to_rerelax_.

nparams()

core::Size protocols::mpi_refinement::Scheduler::nparams ( ) const

inline

References params_.

npick_per_iter()

core::Size protocols::mpi_refinement::Scheduler::npick_per_iter ( ) const

inline

References npick_per_iter_.

pick_enrich_methods()

utility::vector1< core::Size > protocols::mpi_refinement::Scheduler::pick_enrich_methods ( protocols::wum::SilentStructStore const &  decoys, std::string const &  scorename  ) const

private

References protocols::wum::SilentStructStore::begin(), protocols::wum::SilentStructStore::end(), enrich_Zscore_cut_, is_excluded(), core::simple_metrics::metrics::mean, protocols::mpi_refinement::mean_and_stdev(), methodname(), methodname_, methods_picked(), nmethods_enrich_max_, params_, protocols::hybridization::score, protocols::mpi_refinement::TR(), and Zdiff_outstand_.

Referenced by prepare_enrich_stage().

pick_objfunction()

std::string const protocols::mpi_refinement::Scheduler::pick_objfunction ( )

inline

References pick_objfunction_.

pick_strategy()

std::string const protocols::mpi_refinement::Scheduler::pick_strategy ( )

inline

References pick_strategy_.

prepare_enrich_stage()

void protocols::mpi_refinement::Scheduler::prepare_enrich_stage	(	protocols::wum::SilentStructStore const &	decoys,
		std::string const &	scorename
	)

References isch_, methods_picked_, params_, pick_enrich_methods(), and protocols::mpi_refinement::TR().

prepare_search_stage()

void protocols::mpi_refinement::Scheduler::prepare_search_stage

(

core::Size const

mpi_rank

)

References protocols::wum::mpi_rank(), read_cmd(), and protocols::mpi_refinement::TR().

proceed()

void protocols::mpi_refinement::Scheduler::proceed

(

)

References isch_, iter_, n_rerelaxed_, n_to_rerelax_, niter_, params_, roundtype(), and protocols::mpi_refinement::TR().

read_cmd()

void protocols::mpi_refinement::Scheduler::read_cmd ( std::string const &  cmdfile, core::Size const  mpi_rank, core::Size const  stage_to_run = 1  )

private

References add_fresh_param(), clear(), protocols::fldsgn::topology::compare(), protocols::mpi_refinement::MethodParams::cstw, exclusions_, protocols::mpi_refinement::MethodParams::fshave1, protocols::mpi_refinement::MethodParams::fshave2, protocols::mpi_refinement::MethodParams::fshave3, protocols::mpi_refinement::MethodParams::index, protocols::mpi_refinement::MethodParams::irun, protocols::mpi_refinement::MethodParams::istart, methodname_, methods_picked_, protocols::mpi_refinement::MethodParams::movertype, protocols::wum::mpi_rank(), protocols::mpi_refinement::MethodParams::name, niter_, protocols::mpi_refinement::MethodParams::nperrun, npick_per_iter_, protocols::mpi_refinement::MethodParams::nrun, params_, pick_objfunction_, pick_strategy_, protocols::mpi_refinement::MethodParams::relax_type, protocols::mpi_refinement::MethodParams::rerelax_type, protocols::mpi_refinement::MethodParams::roundtype, roundtype(), protocols::mpi_refinement::MethodParams::score_type, protocols::sparta::split(), and protocols::mpi_refinement::TR().

Referenced by prepare_search_stage().

round_expired()

bool protocols::mpi_refinement::Scheduler::round_expired ( ) const

inline

References isch_, and params_.

roundtype()

std::string protocols::mpi_refinement::Scheduler::roundtype ( ) const

inline

References isch_, and params_.

Referenced by proceed(), and read_cmd().

set_default()

void protocols::mpi_refinement::Scheduler::set_default ( )

private

References enrich_Zscore_cut_, exclusions_, is_random_, iter_, n_rerelaxed_, n_to_rerelax_, niter_, nmethods_enrich_max_, and Zdiff_outstand_.

Referenced by Scheduler().

set_random()

void protocols::mpi_refinement::Scheduler::set_random ( bool const  value )

inline

References is_random_.

Member Data Documentation

enrich_Zscore_cut_

core::Real protocols::mpi_refinement::Scheduler::enrich_Zscore_cut_

private

Referenced by pick_enrich_methods(), and set_default().

exclusions_

utility::vector1< std::pair< std::string, std::string > > protocols::mpi_refinement::Scheduler::exclusions_

private

Referenced by is_excluded(), read_cmd(), and set_default().

is_random_

bool protocols::mpi_refinement::Scheduler::is_random_

private

Referenced by set_default(), and set_random().

isch_

core::Size protocols::mpi_refinement::Scheduler::isch_

private

Referenced by clear(), get_params(), prepare_enrich_stage(), proceed(), round_expired(), and roundtype().

iter_

core::Size protocols::mpi_refinement::Scheduler::iter_

private

Referenced by final_iter(), iter(), proceed(), and set_default().

methodname_

std::map< core::Size, std::string > protocols::mpi_refinement::Scheduler::methodname_

private

Referenced by clear(), methodname(), pick_enrich_methods(), and read_cmd().

methods_picked_

utility::vector1< core::Size > protocols::mpi_refinement::Scheduler::methods_picked_

private

Referenced by clear(), methods_picked(), prepare_enrich_stage(), and read_cmd().

n_rerelaxed_

core::Size protocols::mpi_refinement::Scheduler::n_rerelaxed_

private

Referenced by add_rerelaxed(), n_rerelaxed(), proceed(), and set_default().

n_to_rerelax_

core::Size protocols::mpi_refinement::Scheduler::n_to_rerelax_

private

Referenced by add_rerelaxed(), add_torerelax(), n_to_rerelax(), proceed(), and set_default().

niter_

core::Size protocols::mpi_refinement::Scheduler::niter_

private

Referenced by final_iter(), proceed(), read_cmd(), and set_default().

nmethods_enrich_max_

core::Size protocols::mpi_refinement::Scheduler::nmethods_enrich_max_

private

Referenced by pick_enrich_methods(), and set_default().

npick_per_iter_

core::Size protocols::mpi_refinement::Scheduler::npick_per_iter_

private

Referenced by npick_per_iter(), and read_cmd().

params_

utility::vector1< MethodParams > protocols::mpi_refinement::Scheduler::params_

private

Referenced by add_fresh_param(), clear(), get_params(), n_to_gen(), nparams(), pick_enrich_methods(), prepare_enrich_stage(), proceed(), read_cmd(), round_expired(), and roundtype().

pick_objfunction_

std::string protocols::mpi_refinement::Scheduler::pick_objfunction_

private

Referenced by pick_objfunction(), and read_cmd().

pick_strategy_

std::string protocols::mpi_refinement::Scheduler::pick_strategy_

private

Referenced by pick_strategy(), and read_cmd().

Zdiff_outstand_

core::Real protocols::mpi_refinement::Scheduler::Zdiff_outstand_

private

Referenced by pick_enrich_methods(), and set_default().

---

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

• src/protocols/mpi_refinement/Scheduler.hh
• src/protocols/mpi_refinement/Scheduler.cc