BALL  1.4.2
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Public Member Functions | Public Attributes | Private Attributes | List of all members
BALL::SmartsMatcher::RecStruct_ Class Reference

a wrapper class which is used as an interface in the matching code to the pool More...

#include <BALL/STRUCTURE/smartsMatcher.h>

Public Member Functions

 RecStruct_ ()
 default constructor More...
 
 RecStruct_ (const RecStruct_ &rec_struct)
 copy constructor More...
 
virtual ~RecStruct_ ()
 destructor More...
 
RecStruct_operator= (const RecStruct_ &)
 assignment operator More...
 
void add (const RecStruct_ &rec_struct)
 adds the content of the given struct More...
 
void add (const RecStruct_ &rec_struct, Size i)
 adds the the ith part of the content of the given struct More...
 
void clear ()
 deletes all contents More...
 
void dump (const String &name, Size depth_=0)
 dumps the contents (for debugging) More...
 

Public Attributes

std::vector< std::set< const
Atom * > > & 
matched_atoms
 reference to the matched atoms in the core structure More...
 
std::vector< std::map< const
SPNode *, const Atom * > > & 
mapped_atoms
 reference to the mapped SPNodes to Atoms in the core structure More...
 
std::vector< std::set< const
Atom * > > & 
visited_atoms
 reference to the visited atoms in the core structure More...
 
std::vector< std::set< const
Bond * > > & 
visited_bonds
 reference to the visited bonds in the core structure More...
 
std::vector< std::set< const
SPEdge * > > & 
visited_edges
 reference to the visited edges in the core structure More...
 
std::vector< std::pair< const
SPNode *, const Atom * > > & 
first_matches
 reference to the first matches in the core structure More...
 

Private Attributes

RecStructCore_rec_struct_core_
 the underlaying core structure which contains the Containers used in this class More...
 
Position pos_
 position of the RecStructCore_ in the Pool, used for destroy() method More...
 

Detailed Description

a wrapper class which is used as an interface in the matching code to the pool

Definition at line 199 of file smartsMatcher.h.

Constructor & Destructor Documentation

BALL::SmartsMatcher::RecStruct_::RecStruct_ ( )

default constructor

BALL::SmartsMatcher::RecStruct_::RecStruct_ ( const RecStruct_ rec_struct)

copy constructor

virtual BALL::SmartsMatcher::RecStruct_::~RecStruct_ ( )
virtual

destructor

Member Function Documentation

void BALL::SmartsMatcher::RecStruct_::add ( const RecStruct_ rec_struct)

adds the content of the given struct

void BALL::SmartsMatcher::RecStruct_::add ( const RecStruct_ rec_struct,
Size  i 
)

adds the the ith part of the content of the given struct

void BALL::SmartsMatcher::RecStruct_::clear ( )

deletes all contents

void BALL::SmartsMatcher::RecStruct_::dump ( const String name,
Size  depth_ = 0 
)

dumps the contents (for debugging)

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

assignment operator

Member Data Documentation

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

reference to the first matches in the core structure

Definition at line 235 of file smartsMatcher.h.

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

reference to the mapped SPNodes to Atoms in the core structure

Definition at line 223 of file smartsMatcher.h.

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

reference to the matched atoms in the core structure

Definition at line 220 of file smartsMatcher.h.

Position BALL::SmartsMatcher::RecStruct_::pos_
private

position of the RecStructCore_ in the Pool, used for destroy() method

Definition at line 252 of file smartsMatcher.h.

RecStructCore_* BALL::SmartsMatcher::RecStruct_::rec_struct_core_
private

the underlaying core structure which contains the Containers used in this class

Definition at line 203 of file smartsMatcher.h.

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

reference to the visited atoms in the core structure

Definition at line 226 of file smartsMatcher.h.

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

reference to the visited bonds in the core structure

Definition at line 229 of file smartsMatcher.h.

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

reference to the visited edges in the core structure

Definition at line 232 of file smartsMatcher.h.