Avogadro::Core::BondTemplate#

template<class Molecule_T> class 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

using MoleculeType = Molecule_T #

using AtomType = typename Molecule_T::AtomType#

Public Functions

BondTemplate() = default#: 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().

AtomType getOtherAtom(Index index) const#

Returns:: The atom in the bond such that returned.index() != index.

AtomType getOtherAtom(AtomType atom) const#

Returns:: The atom in the bond such that returned.index() != atom.index().

Real length() const#: The length of the bond or 0.0 if the bond is invalid.

std::string label() const#: A label for the bond (if any)