Class Avogadro::Core::BondTemplate#

template<class Molecule_T>
class Avogadro::Core::BondTemplate#

Unnamed Group

AtomType atom1() const#

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

AtomType atom2() const#

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

Unnamed Group

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.)

Public Types

typedef Molecule_T MoleculeType#
typedef Molecule_T::AtomType AtomType#

Public Functions

BondTemplate()#

Creates a new, invalid bond object.

BondTemplate(MoleculeType *m, Index i)#

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

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<MoleculeType> &operator++()#

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

BondTemplate<MoleculeType> 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<MoleculeType> &operator--()#

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

BondTemplate<MoleculeType> 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.

MoleculeType *molecule() const#
Returns

The molecule that contains this Bond.

Index index() const#
Returns

The index of this bond in molecule().