OBRingSearch Class Reference
Internal class to facilitate OBMol::FindSSSR(). More...
#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 | ( | ) | [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().
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().
The documentation for this class was generated from the following files: