AvogadroLibs 1.98.1
Loading...
Searching...
No Matches
Public Types | Public Member Functions | List of all members
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 getOtherAtom (Index index) const
 
AtomType getOtherAtom (AtomType atom) const
 
AtomType atom1 () const
 
AtomType atom2 () const
 
void setOrder (unsigned char o)
 
unsigned char order () const
 

Constructor & Destructor Documentation

◆ BondTemplate() [1/2]

template<class Molecule_T >
BondTemplate ( )

Creates a new, invalid bond object.

◆ BondTemplate() [2/2]

template<class Molecule_T >
BondTemplate ( MoleculeType *  m,
Index  i 
)

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

Member Function Documentation

◆ operator==()

template<class Molecule_T >
bool operator== ( const BondTemplate< MoleculeType > &  other) const
Returns
True if this and other share the same index and molecule.

◆ operator!=()

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

◆ operator++() [1/2]

template<class Molecule_T >
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.

◆ operator++() [2/2]

template<class Molecule_T >
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.

◆ operator--() [1/2]

template<class Molecule_T >
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.

◆ operator--() [2/2]

template<class Molecule_T >
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.

◆ isValid()

template<class Molecule_T >
bool isValid ( ) const
Returns
True if the molecule is set and the index is less than the number of bonds.

◆ molecule()

template<class Molecule_T >
BondTemplate< Molecule_T >::MoleculeType * molecule ( ) const
Returns
The molecule that contains this Bond.

◆ index()

template<class Molecule_T >
Index index ( ) const
Returns
The index of this bond in molecule().

◆ atom1()

template<class Molecule_T >
BondTemplate< Molecule_T >::AtomType atom1 ( ) const

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

◆ atom2()

template<class Molecule_T >
BondTemplate< Molecule_T >::AtomType atom2 ( ) const

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

◆ getOtherAtom() [1/2]

template<class Molecule_T >
BondTemplate< Molecule_T >::AtomType getOtherAtom ( Index  index) const
Returns
The atom in the bond such that returned.index() != index.

◆ getOtherAtom() [2/2]

template<class Molecule_T >
AtomType getOtherAtom ( AtomType  atom) const
Returns
The atom in the bond such that returned.index() != atom.index().

◆ setOrder()

template<class Molecule_T >
void setOrder ( unsigned char  o)

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

◆ order()

template<class Molecule_T >
unsigned char order ( ) const

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


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