protocols::stepwise::legacy::screener::SimpleRMSD_Screener Class Reference

#include <SimpleRMSD_Screener.hh>

Inheritance diagram for protocols::stepwise::legacy::screener::SimpleRMSD_Screener:

Public Member Functions
	SimpleRMSD_Screener (core::pose::Pose const &pose, utility::vector1< core::Size > const &calc_rms_res, core::pose::PoseCOP native_pose, core::Real const rmsd_cutoff, bool const force_align=false)
	~SimpleRMSD_Screener () override
std::string	name () const override
stepwise::screener::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_corresponding_atom_id_map (core::pose::Pose const &pose)

Private Attributes
core::pose::Pose const &	pose_
utility::vector1< core::Size >	calc_rms_res_
core::pose::PoseCOP	native_pose_
core::Real const	rmsd_cutoff_
bool const	force_align_
bool const	cluster_by_all_atom_rmsd_
std::map< core::id::AtomID, core::id::AtomID >	corresponding_atom_id_map_

Constructor & Destructor Documentation

SimpleRMSD_Screener()

protocols::stepwise::legacy::screener::SimpleRMSD_Screener::SimpleRMSD_Screener	(	core::pose::Pose const &	pose,
		utility::vector1< core::Size > const &	calc_rms_res,
		core::pose::PoseCOP	native_pose,
		core::Real const	rmsd_cutoff,
		bool const	force_align = false
	)

References initialize_corresponding_atom_id_map().

~SimpleRMSD_Screener()

protocols::stepwise::legacy::screener::SimpleRMSD_Screener::~SimpleRMSD_Screener ( )

overridedefault

Member Function Documentation

check_screen()

bool protocols::stepwise::legacy::screener::SimpleRMSD_Screener::check_screen ( )

overridevirtual

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

References calc_rms_res_, corresponding_atom_id_map_, force_align_, native_pose_, pose_, core::scoring::rms_at_corresponding_atoms(), core::scoring::rms_at_corresponding_atoms_no_super(), and rmsd_cutoff_.

initialize_corresponding_atom_id_map()

void protocols::stepwise::legacy::screener::SimpleRMSD_Screener::initialize_corresponding_atom_id_map ( core::pose::Pose const &  pose )

private

References cluster_by_all_atom_rmsd_, corresponding_atom_id_map_, core::scoring::setup_matching_heavy_atoms(), and core::scoring::setup_matching_protein_backbone_heavy_atoms().

Referenced by SimpleRMSD_Screener().

name()

std::string protocols::stepwise::legacy::screener::SimpleRMSD_Screener::name ( ) const

inlineoverridevirtual

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

type()

stepwise::screener::StepWiseScreenerType protocols::stepwise::legacy::screener::SimpleRMSD_Screener::type ( ) const

inlineoverridevirtual

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

References protocols::stepwise::screener::SIMPLE_RMSD.

Member Data Documentation

calc_rms_res_

utility::vector1< core::Size > protocols::stepwise::legacy::screener::SimpleRMSD_Screener::calc_rms_res_

private

Referenced by check_screen().

cluster_by_all_atom_rmsd_

bool const protocols::stepwise::legacy::screener::SimpleRMSD_Screener::cluster_by_all_atom_rmsd_

private

Referenced by initialize_corresponding_atom_id_map().

corresponding_atom_id_map_

std::map< core::id::AtomID, core::id::AtomID > protocols::stepwise::legacy::screener::SimpleRMSD_Screener::corresponding_atom_id_map_

private

Referenced by check_screen(), and initialize_corresponding_atom_id_map().

force_align_

bool const protocols::stepwise::legacy::screener::SimpleRMSD_Screener::force_align_

private

Referenced by check_screen().

native_pose_

core::pose::PoseCOP protocols::stepwise::legacy::screener::SimpleRMSD_Screener::native_pose_

private

Referenced by check_screen().

pose_

core::pose::Pose const& protocols::stepwise::legacy::screener::SimpleRMSD_Screener::pose_

private

Referenced by check_screen().

rmsd_cutoff_

core::Real const protocols::stepwise::legacy::screener::SimpleRMSD_Screener::rmsd_cutoff_

private

Referenced by check_screen().

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

• src/protocols/stepwise/legacy/screener/SimpleRMSD_Screener.hh
• src/protocols/stepwise/legacy/screener/SimpleRMSD_Screener.cc