OBMolBondIter Class Reference
Iterate over all bonds in an OBMol. More...
#include <openbabel/obiter.h>
Public Member Functions | |
OBMolBondIter () | |
OBMolBondIter (OBMol *mol) | |
OBMolBondIter (OBMol &mol) | |
OBMolBondIter (const OBMolBondIter &bi) | |
~OBMolBondIter () | |
OBMolBondIter & | operator= (const OBMolBondIter &bi) |
operator bool () const | |
OBMolBondIter & | operator++ () |
OBMolBondIter | operator++ (int) |
OBBond * | operator-> () const |
OBBond & | operator* () const |
Detailed Description
Iterate over all bonds in an OBMol.
To facilitate iteration through all bonds in a molecule, without resorting to bond indexes (which may change in the future), a variety of iterators are provided.
This has been made significantly easier by a series of macros in the obiter.h header file:
\#define FOR_BONDS_OF_MOL(b,m) for( OBMolBondIter b(m); b; ++b )
Here is an example:
#include <openbabel/obiter.h> #include <openbabel/mol.h> OBMol mol; unsigned int bondOrderSum = 0; FOR_BONDS_OF_MOL(b, mol) { // The variable b behaves like OBBond* when used with -> and * but // but needs to be explicitly converted when appearing as a parameter // in a function call - use &*b bondOrderSum += b->GetBO(); }
Constructor & Destructor Documentation
OBMolBondIter | ( | ) | [inline] |
OBMolBondIter | ( | OBMol * | mol ) |
OBMolBondIter | ( | OBMol & | mol ) |
OBMolBondIter | ( | const OBMolBondIter & | bi ) |
~OBMolBondIter | ( | ) | [inline] |
Member Function Documentation
OBMolBondIter & operator= | ( | const OBMolBondIter & | bi ) |
operator bool | ( | ) | const [inline] |
- Returns:
- Whether the iterator can still advance (i.e., visit more bonds)
OBMolBondIter & operator++ | ( | ) |
Preincrement -- advance to the next bond and return.
Referenced by OBMolBondIter::operator++().
OBMolBondIter operator++ | ( | int | ) |
Postincrement -- return the current bond and advance to the next.
OBBond* operator-> | ( | ) | const [inline] |
- Returns:
- a pointer to the current bond
OBBond& operator* | ( | ) | const [inline] |
- Returns:
- a reference to the current bond
The documentation for this class was generated from the following files: