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Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::stepwise::legacy::screener::SimpleRMSD_Screener Class Reference

#include <SimpleRMSD_Screener.hh>

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

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

Member Function Documentation

bool protocols::stepwise::legacy::screener::SimpleRMSD_Screener::check_screen ( )
overridevirtual
void protocols::stepwise::legacy::screener::SimpleRMSD_Screener::initialize_corresponding_atom_id_map ( core::pose::Pose const &  pose)
private
std::string protocols::stepwise::legacy::screener::SimpleRMSD_Screener::name ( ) const
inlineoverridevirtual
stepwise::screener::StepWiseScreenerType protocols::stepwise::legacy::screener::SimpleRMSD_Screener::type ( ) const
inlineoverridevirtual

Member Data Documentation

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

Referenced by check_screen().

bool const protocols::stepwise::legacy::screener::SimpleRMSD_Screener::cluster_by_all_atom_rmsd_
private
std::map< core::id::AtomID, core::id::AtomID > protocols::stepwise::legacy::screener::SimpleRMSD_Screener::corresponding_atom_id_map_
private
bool const protocols::stepwise::legacy::screener::SimpleRMSD_Screener::force_align_
private

Referenced by check_screen().

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

Referenced by check_screen().

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

Referenced by check_screen().

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

Referenced by check_screen().


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