OBRingSearch Class Reference

Internal class to facilitate OBMol::FindSSSR(). More...

#include <openbabel/ring.h>

List of all members.

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 ()

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Detailed Description

Internal class to facilitate OBMol::FindSSSR().

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Constructor & Destructor Documentation

OBRingSearch

(

)

[inline]

~OBRingSearch

(

)

Destructor -- free all rings created from this search.

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Member Function Documentation

void SortRings

(

)

[inline]

Sort ring sizes from smallest to largest.

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

void RemoveRedundant

(

int

frj

)

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

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

void AddRingFromClosure	(	OBMol &	mol,
		OBBond *	cbond
	)

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

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

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

Referenced by OBRingSearch::AddRingFromClosure().

void WriteRings

(

)

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

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().

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