protocols::stepwise::screener::PartitionContactScreener Class Reference

#include <PartitionContactScreener.hh>

Inheritance diagram for protocols::stepwise::screener::PartitionContactScreener:

Public Member Functions
	PartitionContactScreener (core::pose::Pose const &pose, modeler::working_parameters::StepWiseWorkingParametersCOP working_parameters, bool const use_loose_rep_cutoff, core::scoring::methods::EnergyMethodOptions const &options)
	~PartitionContactScreener () override
std::string	name () const override
StepWiseScreenerType	type () const override
bool	check_screen () override
Public Member Functions inherited from protocols::stepwise::screener::StepWiseScreener
	StepWiseScreener ()
	~StepWiseScreener () override
virtual void	get_update (sampler::StepWiseSamplerOP)
virtual void	apply_mover (moves::CompositionMoverOP, core::Size const, core::Size const)
virtual void	add_mover (moves::CompositionMoverOP update_mover, moves::CompositionMoverOP restore_mover)
virtual void	fast_forward (sampler::StepWiseSamplerOP)
core::Size const &	count () const
void	increment_count ()
void	reset ()
void	set_ok_to_increment (bool const setting)

Private Member Functions
void	initialize_actual_rep_cutoff ()
void	initialize_evaluator (core::scoring::methods::EnergyMethodOptions const &options)
void	check_screen (core::Size const moving_res, bool &atr_ok, bool &rep_ok) const

Private Attributes
core::pose::Pose const &	pose_
utility::vector1< core::Size > const &	moving_res_list_
core::Real const	fa_atr_weight_
core::Real const	fa_rep_weight_
core::Real const	rep_cutoff_
core::Real const	atr_cutoff_
bool const	use_loose_rep_cutoff_
bool const	close_chain_
core::Real	actual_rep_cutoff_
core::scoring::etable::AnalyticEtableEvaluatorOP	eval_

Constructor & Destructor Documentation

PartitionContactScreener()

protocols::stepwise::screener::PartitionContactScreener::PartitionContactScreener	(	core::pose::Pose const &	pose,
		modeler::working_parameters::StepWiseWorkingParametersCOP	working_parameters,
		bool const	use_loose_rep_cutoff,
		core::scoring::methods::EnergyMethodOptions const &	options
	)

References initialize_actual_rep_cutoff(), initialize_evaluator(), and moving_res_list_.

~PartitionContactScreener()

protocols::stepwise::screener::PartitionContactScreener::~PartitionContactScreener ( )

overridedefault

Member Function Documentation

check_screen() [1/2]

bool protocols::stepwise::screener::PartitionContactScreener::check_screen ( )

overridevirtual

Reimplemented from protocols::stepwise::screener::StepWiseScreener.

References moving_res_list_.

check_screen() [2/2]

void protocols::stepwise::screener::PartitionContactScreener::check_screen ( core::Size const  moving_res, bool &  atr_ok, bool &  rep_ok  ) const

private

References actual_rep_cutoff_, atr_cutoff_, close_chain_, core::scoring::etable::count_pair::CP_CROSSOVER_3, core::scoring::etable::count_pair::CP_CROSSOVER_4, protocols::ligand_docking::ga_ligand_dock::crossover(), eval_, core::scoring::fa_atr, fa_atr_weight_, core::scoring::fa_rep, fa_rep_weight_, protocols::stepwise::modeler::figure_out_root_and_moving_partition_res(), core::conformation::Residue::polymeric_sequence_distance(), pose_, rep_cutoff_, core::pose::Pose::residue(), and use_loose_rep_cutoff_.

initialize_actual_rep_cutoff()

void protocols::stepwise::screener::PartitionContactScreener::initialize_actual_rep_cutoff ( )

private

References actual_rep_cutoff_, close_chain_, rep_cutoff_, and use_loose_rep_cutoff_.

Referenced by PartitionContactScreener().

initialize_evaluator()

void protocols::stepwise::screener::PartitionContactScreener::initialize_evaluator ( core::scoring::methods::EnergyMethodOptions const &  options )

private

References eval_.

Referenced by PartitionContactScreener().

name()

std::string protocols::stepwise::screener::PartitionContactScreener::name ( ) const

inlineoverridevirtual

Implements protocols::stepwise::screener::StepWiseScreener.

type()

StepWiseScreenerType protocols::stepwise::screener::PartitionContactScreener::type ( ) const

inlineoverridevirtual

Implements protocols::stepwise::screener::StepWiseScreener.

References protocols::stepwise::screener::PARTITION_CONTACT.

Member Data Documentation

actual_rep_cutoff_

core::Real protocols::stepwise::screener::PartitionContactScreener::actual_rep_cutoff_

private

Referenced by check_screen(), and initialize_actual_rep_cutoff().

atr_cutoff_

core::Real const protocols::stepwise::screener::PartitionContactScreener::atr_cutoff_

private

Referenced by check_screen().

close_chain_

bool const protocols::stepwise::screener::PartitionContactScreener::close_chain_

private

Referenced by check_screen(), and initialize_actual_rep_cutoff().

eval_

core::scoring::etable::AnalyticEtableEvaluatorOP protocols::stepwise::screener::PartitionContactScreener::eval_

private

Referenced by check_screen(), and initialize_evaluator().

fa_atr_weight_

core::Real const protocols::stepwise::screener::PartitionContactScreener::fa_atr_weight_

private

Referenced by check_screen().

fa_rep_weight_

core::Real const protocols::stepwise::screener::PartitionContactScreener::fa_rep_weight_

private

Referenced by check_screen().

moving_res_list_

utility::vector1< core::Size > const& protocols::stepwise::screener::PartitionContactScreener::moving_res_list_

private

Referenced by check_screen(), and PartitionContactScreener().

pose_

core::pose::Pose const& protocols::stepwise::screener::PartitionContactScreener::pose_

private

Referenced by check_screen().

rep_cutoff_

core::Real const protocols::stepwise::screener::PartitionContactScreener::rep_cutoff_

private

Referenced by check_screen(), and initialize_actual_rep_cutoff().

use_loose_rep_cutoff_

bool const protocols::stepwise::screener::PartitionContactScreener::use_loose_rep_cutoff_

private

Referenced by check_screen(), and initialize_actual_rep_cutoff().

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

• src/protocols/stepwise/screener/PartitionContactScreener.hh
• src/protocols/stepwise/screener/PartitionContactScreener.cc