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BondTemplate< Molecule_T > Class Template Reference

Public Types

typedef Molecule_T MoleculeType
 
typedef Molecule_T::AtomType AtomType
 

Public Member Functions

 BondTemplate ()
 
 BondTemplate (MoleculeType *m, Index i)
 
bool operator== (const BondTemplate< MoleculeType > &other) const
 
bool operator!= (const BondTemplate< MoleculeType > &other) const
 
BondTemplate< MoleculeType > & operator++ ()
 
BondTemplate< MoleculeType > operator++ (int)
 
BondTemplate< MoleculeType > & operator-- ()
 
BondTemplate< MoleculeType > operator-- (int)
 
bool isValid () const
 
MoleculeType * molecule () const
 
Index index () const
 
AtomType atom1 () const
 
AtomType atom2 () const
 
void setOrder (unsigned char o)
 
unsigned char order () const
 

Constructor & Destructor Documentation

Creates a new, invalid bond object.

BondTemplate ( MoleculeType *  m,
Index  i 
)

Creates a bond object representing a bond at index i in molecule m.

Member Function Documentation

bool operator== ( const BondTemplate< MoleculeType > &  other) const
Returns
True if this and other share the same index and molecule.
bool operator!= ( const BondTemplate< MoleculeType > &  other) const
Returns
True if this and other do not share the same index or molecule.
BondTemplate< Molecule_T > & operator++ ( )

Prefix increment operator. Increment this Bond's index by 1 and return a self-reference. Check isValid() before calling any other methods.

BondTemplate< Molecule_T > operator++ ( int  )

Postfix increment operator. Increment this Bond's index by 1 and return a copy of the current Atom. Check isValid() before calling any other methods.

BondTemplate< Molecule_T > & operator-- ( )

Prefix decrement operator. Decrement this Bond's index by 1 and return a self-reference. Check isValid() before calling any other methods.

BondTemplate< Molecule_T > operator-- ( int  )

Postfix decrement operator. Decrement this Bond's index by 1 and return a copy of the current Atom. Check isValid() before calling any other methods.

bool isValid ( ) const
Returns
True if the molecule is set and the index is less than the number of bonds.
BondTemplate< Molecule_T >::MoleculeType * molecule ( ) const
Returns
The molecule that contains this Bond.
Index index ( ) const
Returns
The index of this bond in molecule().
BondTemplate< Molecule_T >::AtomType atom1 ( ) const

An atom in the bond, such that atom1().index() < atom2.index().

BondTemplate< Molecule_T >::AtomType atom2 ( ) const

An atom in the bond, such that atom1().index() < atom2.index().

void setOrder ( unsigned char  o)

The bond's order (single = 1, double = 2, etc.)

unsigned char order ( ) const

The bond's order (single = 1, double = 2, etc.)


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