Avogadro::QtGui::PersistentAtom

template<typename Molecule_T>
class PersistentAtom

The PersistentAtom object provides a container for a persistent atom reference that can be held onto. The atom() method gets the underlying atom using the unique ID mechanism of the molecule.

Public Types

typedef Molecule_T MoleculeType

typedef Molecule_T::AtomType AtomType

Public Functions

inline explicit PersistentAtom(MoleculeType *m = nullptr, Index uniqueId = MaxIndex)

Create a persistent atom, with the specified unique id.

Parameters:

• m – The molecule the persistent atom belongs to.

• uniqueId – The unique identifier for the atom.

explicit PersistentAtom(const AtomType &a)

Create a persistent atom from a standard atom object.

Parameters:

a – The atom that a persistent reference should be created for.

void set(MoleculeType *m, Index uniqueId)

Set the molecule and unique ID for the persistent object.

Parameters:

• m – The molecule that contains the atom.

• uniqueId – The unique ID of the atom.

void set(const AtomType &a)

Set the persistent atom from a standard atom object.

Parameters:

a – The atom that a persistent reference should be created for.

void reset()

Reset the object to an invalid state.

bool isValid() const

Returns:

True if the persistent atom is valid.

inline MoleculeType *molecule() const

Returns:

The molecule the atom is a part of.

inline Index uniqueIdentifier() const

The persistent unique ID of the atom.

Returns:

The unique ID of the atom.

AtomType atom() const

Obtain the atom being held by the persistent object.

Returns:

A reference to the atom held by the object.