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...

Detailed Description

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

Definition at line 195 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 231 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 219 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 216 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 222 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 225 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 228 of file smartsMatcher.h.