OBRingSearch Class Reference

#include <openbabel/ring.h>

Public Member Functions
	OBRingSearch ()
	~OBRingSearch ()
void	SortRings ()
void	RemoveRedundant (int)
void	AddRingFromClosure (OBMol &, OBBond *)
bool	SaveUniqueRing (std::deque< int > &, std::deque< int > &)
void	WriteRings ()
Iterator methods -- see OBMolRingIter for iteration over a molecule
std::vector< OBRing * >::iterator	BeginRings ()
std::vector< OBRing * >::iterator	EndRings ()

Detailed Description

Internal class to facilitate OBMol::FindSSSR()

Constructor & Destructor Documentation

OBRingSearch()

OBRingSearch ( )

inline

~OBRingSearch()

~OBRingSearch

(

)

Destructor – free all rings created from this search.

Member Function Documentation

SortRings()

void SortRings ( )

inline

Sort ring sizes from smallest to largest.

Referenced by OBMol::FindLSSR(), and OBMol::FindSSSR().

RemoveRedundant()

void RemoveRedundant

(

int

frj

)

Starting with a full ring set - reduce to SSSR set.

Referenced by OBMol::FindLSSR(), and OBMol::FindSSSR().

AddRingFromClosure()

void AddRingFromClosure	(	OBMol &	mol,
		OBBond *	cbond
	)

Add a new ring from a "closure" bond: See OBBond::IsClosure()

Referenced by OBMol::FindLSSR(), and OBMol::FindSSSR().

SaveUniqueRing()

bool SaveUniqueRing	(	std::deque< int > &	d1,
		std::deque< int > &	d2
	)

WriteRings()

void WriteRings

(

)

For debugging only, write the rings to std::cout.

BeginRings()

std::vector<OBRing*>::iterator BeginRings ( )

inline

Returns

an iterator pointing to the beginning of the list of rings

Referenced by OBMol::FindLSSR(), and OBMol::FindSSSR().

EndRings()

std::vector<OBRing*>::iterator EndRings ( )

inline

Returns

an iterator pointing to the end of the list of rings

Referenced by OBMol::FindLSSR(), and OBMol::FindSSSR().

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

• ring.h
• ring.cpp