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protocols::match::output::SameSequenceAndDSPositionGrouper Class Reference

class that groups based on same sequence and proximity of the downstream object (based on rms ) NOTE: right now only the downstream position according to the first geomcst id upstream residue is taken into account More...

#include <SameSequenceGrouper.hh>

Inheritance diagram for protocols::match::output::SameSequenceAndDSPositionGrouper:
Inheritance graph
[legend]

Public Types

typedef std::map< std::pair
< core::Size, core::Size >
, core::Size
SequenceLigPosMap
 
typedef core::Vector Vector
 
typedef SameSequenceGrouper parent
 
- Public Types inherited from protocols::match::output::SameSequenceGrouper
typedef core::Real Real
 
typedef core::Size Size
 
typedef std::map
< utility::OrderedTuple
< utility::vector1< core::Size >
>, core::Size
SequenceMap
 
- Public Types inherited from protocols::match::output::MatchGrouper
typedef core::Real Real
 

Public Member Functions

 SameSequenceAndDSPositionGrouper ()
 
 SameSequenceAndDSPositionGrouper (core::Size ncst)
 
 ~SameSequenceAndDSPositionGrouper () override
 
core::Size assign_group_for_match (match_dspos1 const &m) override
 
void reset () override
 
void set_n_geometric_constraints (core::Size n_csts) override
 
void set_rms_group_cutoff (Real cutoff)
 
void set_downstream_builder (core::Size geomcst_id, downstream::DownstreamBuilderCOP dsbuilder)
 
void set_relevant_atom_ids (utility::vector1< core::id::AtomID > const &relevant_atom_ids)
 
- Public Member Functions inherited from protocols::match::output::SameSequenceGrouper
 SameSequenceGrouper ()
 
 SameSequenceGrouper (core::Size ncst)
 
 ~SameSequenceGrouper () override
 
core::Size assign_group_for_match (match const &m) override
 
void set_hit_cacher (UpstreamHitCacherOP cacher)
 
- Public Member Functions inherited from protocols::match::output::MatchGrouper
 MatchGrouper ()
 
 ~MatchGrouper () override
 

Private Member Functions

core::Size assign_downstream_position_group_for_match (match_dspos1 const &m)
 

Private Attributes

SequenceLigPosMap sequence_pos_map_
 
Real rms_group_cutoff_
 
utility::vector1
< utility::vector1< Vector > > 
representative_dspos_
 
utility::vector1
< core::id::AtomID
relevant_atom_ids_
 
utility::vector1
< downstream::DownstreamBuilderCOP
dsbuilders_
 

Detailed Description

class that groups based on same sequence and proximity of the downstream object (based on rms ) NOTE: right now only the downstream position according to the first geomcst id upstream residue is taken into account

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::match::output::SameSequenceAndDSPositionGrouper::SameSequenceAndDSPositionGrouper ( )
protocols::match::output::SameSequenceAndDSPositionGrouper::SameSequenceAndDSPositionGrouper ( core::Size  ncst)

References dsbuilders_.

protocols::match::output::SameSequenceAndDSPositionGrouper::~SameSequenceAndDSPositionGrouper ( )
overridedefault

Member Function Documentation

SameSequenceGrouper::Size protocols::match::output::SameSequenceAndDSPositionGrouper::assign_downstream_position_group_for_match ( match_dspos1 const &  m)
private
SameSequenceGrouper::Size protocols::match::output::SameSequenceAndDSPositionGrouper::assign_group_for_match ( match_dspos1 const &  m)
overridevirtual
void protocols::match::output::SameSequenceAndDSPositionGrouper::reset ( void  )
overridevirtual
void protocols::match::output::SameSequenceAndDSPositionGrouper::set_downstream_builder ( core::Size  geomcst_id,
downstream::DownstreamBuilderCOP  dsbuilder 
)

References dsbuilders_.

void protocols::match::output::SameSequenceAndDSPositionGrouper::set_n_geometric_constraints ( core::Size  n_csts)
overridevirtual
void protocols::match::output::SameSequenceAndDSPositionGrouper::set_relevant_atom_ids ( utility::vector1< core::id::AtomID > const &  relevant_atom_ids)

References relevant_atom_ids_.

void protocols::match::output::SameSequenceAndDSPositionGrouper::set_rms_group_cutoff ( Real  cutoff)

References rms_group_cutoff_.

Member Data Documentation

utility::vector1< downstream::DownstreamBuilderCOP > protocols::match::output::SameSequenceAndDSPositionGrouper::dsbuilders_
private
utility::vector1< core::id::AtomID > protocols::match::output::SameSequenceAndDSPositionGrouper::relevant_atom_ids_
private
utility::vector1< utility::vector1< Vector> > protocols::match::output::SameSequenceAndDSPositionGrouper::representative_dspos_
private
Real protocols::match::output::SameSequenceAndDSPositionGrouper::rms_group_cutoff_
private
SequenceLigPosMap protocols::match::output::SameSequenceAndDSPositionGrouper::sequence_pos_map_
private

Referenced by assign_group_for_match(), and reset().


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