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 ()

Detailed Description

Internal class to facilitate OBMol::FindSSSR().


Constructor & Destructor Documentation

OBRingSearch (  )  [inline]
~OBRingSearch (  ) 

Destructor -- free all rings created from this search.


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 
)
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().


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