BALL 1.5.0
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Public Member Functions | Public Attributes | List of all members
BALL::SmartsMatcher::RecStructCore_ Class Reference

core structure of the recursive matching algorithm for the object pool More...

#include <BALL/STRUCTURE/smartsMatcher.h>

Public Member Functions

 RecStructCore_ ()
 default constructor
 
 RecStructCore_ (const RecStructCore_ &)
 copy constructor
 
virtual ~RecStructCore_ ()
 destructor
 
RecStructCore_operator= (const RecStructCore_ &)
 assignment operator
 
void clear ()
 method that deletes all content from the containers
 

Public Attributes

std::vector< std::set< const Atom * > > matched_atoms
 container which contains a vector of matched atoms from different matches
 
std::vector< std::map< const SPNode *, const Atom * > > mapped_atoms
 container which contains a vector of mappings from different matches
 
std::vector< std::set< const Atom * > > visited_atoms
 contains vector of visited atoms of different matches
 
std::vector< std::set< const Bond * > > visited_bonds
 contains vector of visited bonds of different matches
 
std::vector< std::set< const SPEdge * > > visited_edges
 contains vector of visited edges of the Smarts tree of different matches
 
std::vector< std::pair< const SPNode *, const Atom * > > first_matches
 contains the first matched atoms of different matches (needed for recursive Smarts)
 

Detailed Description

core structure of the recursive matching algorithm for the object pool

Definition at line 114 of file smartsMatcher.h.

Constructor & Destructor Documentation

◆ RecStructCore_() [1/2]

BALL::SmartsMatcher::RecStructCore_::RecStructCore_ ( )

default constructor

◆ RecStructCore_() [2/2]

BALL::SmartsMatcher::RecStructCore_::RecStructCore_ ( const RecStructCore_ )

copy constructor

◆ ~RecStructCore_()

virtual BALL::SmartsMatcher::RecStructCore_::~RecStructCore_ ( )
virtual

destructor

Member Function Documentation

◆ clear()

void BALL::SmartsMatcher::RecStructCore_::clear ( )

method that deletes all content from the containers

◆ operator=()

RecStructCore_ & BALL::SmartsMatcher::RecStructCore_::operator= ( const RecStructCore_ )

assignment operator

Member Data Documentation

◆ first_matches

std::vector<std::pair<const SPNode*, const Atom*> > BALL::SmartsMatcher::RecStructCore_::first_matches

contains the first matched atoms of different matches (needed for recursive Smarts)

Definition at line 149 of file smartsMatcher.h.

◆ mapped_atoms

std::vector<std::map<const SPNode*, const Atom*> > BALL::SmartsMatcher::RecStructCore_::mapped_atoms

container which contains a vector of mappings from different matches

Definition at line 137 of file smartsMatcher.h.

◆ matched_atoms

std::vector<std::set<const Atom*> > BALL::SmartsMatcher::RecStructCore_::matched_atoms

container which contains a vector of matched atoms from different matches

Definition at line 134 of file smartsMatcher.h.

◆ visited_atoms

std::vector<std::set<const Atom*> > BALL::SmartsMatcher::RecStructCore_::visited_atoms

contains vector of visited atoms of different matches

Definition at line 140 of file smartsMatcher.h.

◆ visited_bonds

std::vector<std::set<const Bond*> > BALL::SmartsMatcher::RecStructCore_::visited_bonds

contains vector of visited bonds of different matches

Definition at line 143 of file smartsMatcher.h.

◆ visited_edges

std::vector<std::set<const SPEdge*> > BALL::SmartsMatcher::RecStructCore_::visited_edges

contains vector of visited edges of the Smarts tree of different matches

Definition at line 146 of file smartsMatcher.h.