qml.data.DatasetMolecule

class DatasetMolecule(value=<UnsetType.UNSET: 'UNSET'>, info=None, *, bind=None, parent_and_key=None)[source]

Bases: pennylane.data.base.attribute.DatasetAttribute[collections.abc.MutableMapping, pennylane.qchem.molecule.Molecule, pennylane.qchem.molecule.Molecule]

Attribute type for pennylane.qchem.Molecule.

bind

Returns the HDF5 object that contains this attribute’s data.

info

Returns the AttributeInfo for this attribute.

registry

Maps type_ids to their DatasetAttribute classes.

type_consumer_registry

Maps types to their default DatasetAttribute

type_id

bind

Returns the HDF5 object that contains this attribute’s data.

info

Returns the AttributeInfo for this attribute.

registry: Mapping[str, Type[DatasetAttribute]] = mappingproxy({'dataset': <class 'pennylane.data.base.dataset._DatasetAttributeType'>, 'array': <class 'pennylane.data.attributes.array.DatasetArray'>, 'dict': <class 'pennylane.data.attributes.dictionary.DatasetDict'>, 'json': <class 'pennylane.data.attributes.json.DatasetJSON'>, 'list': <class 'pennylane.data.attributes.list.DatasetList'>, 'molecule': <class 'pennylane.data.attributes.molecule.DatasetMolecule'>, 'none': <class 'pennylane.data.attributes.none.DatasetNone'>, 'operator': <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, 'scalar': <class 'pennylane.data.attributes.scalar.DatasetScalar'>, 'sparse_array': <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, 'string': <class 'pennylane.data.attributes.string.DatasetString'>, 'tuple': <class 'pennylane.data.attributes.tuple.DatasetTuple'>})

Maps type_ids to their DatasetAttribute classes.

type_consumer_registry: Mapping[type, Type[DatasetAttribute]] = mappingproxy({<class 'pennylane.qchem.molecule.Molecule'>: <class 'pennylane.data.attributes.molecule.DatasetMolecule'>, <class 'NoneType'>: <class 'pennylane.data.attributes.none.DatasetNone'>, <class 'pennylane.ops.channel.DepolarizingChannel'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.CNOT'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.Displacement'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.T'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.WireCut'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.observables.Projector'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.ControlledPhase'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qutrit.observables.THermitian'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.NumberOperator'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.GaussianState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.operation.Tensor'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.CRY'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.Rot'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_multi_qubit.PSWAP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.PauliY'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.ThermalRelaxationError'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.PhaseShift'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.RX'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.Hadamard'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.FockState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qutrit.matrix_ops.QutritUnitary'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.ControlledPhaseShift'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_multi_qubit.IsingXX'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.arithmetic_ops.QubitCarry'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.op_math.controlled_ops.CZ'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.Kerr'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.OrbitalRotation'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.PauliX'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.TensorN'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.SISWAP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.CH'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.QuadP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.state_preparation.BasisState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.InterferometerUnitary'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.SingleExcitation'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_multi_qubit.MultiRZ'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.BitFlip'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.PauliZ'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_multi_qubit.IsingYY'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.DoubleExcitation'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.CrossKerr'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.U1'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qutrit.non_parametric_ops.TSWAP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.SingleExcitationMinus'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.matrix_ops.QubitUnitary'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.state_preparation.StatePrep'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.U3'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.FockStateVector'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.GeneralizedAmplitudeDamping'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.QuadX'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.Beamsplitter'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.DoubleExcitationPlus'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.ResetError'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.op_math.controlled_ops.CY'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.SWAP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_multi_qubit.IsingZZ'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.U2'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.CRot'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.CRZ'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.CSWAP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.PauliError'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.QuadOperator'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.CPhaseShift01'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.arithmetic_ops.QubitSum'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_multi_qubit.IsingXY'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.matrix_ops.DiagonalQubitUnitary'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.QuadraticPhase'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.state_preparation.QubitStateVector'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.CoherentState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.FermionicSWAP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.identity.Identity'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.Rotation'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.ECR'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.SqueezedState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.CPhaseShift10'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.TwoModeSqueezing'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qutrit.non_parametric_ops.TClock'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.observables.Hermitian'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.CCZ'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.PolyXP'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.state_preparation.QubitDensityMatrix'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.AmplitudeDamping'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.hamiltonian.Hamiltonian'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.FockDensityMatrix'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.DisplacedSqueezedState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.SX'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.CRX'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.ControlledAddition'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_controlled.CPhaseShift00'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.RZ'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.special_unitary.SpecialUnitary'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qutrit.non_parametric_ops.TShift'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qutrit.non_parametric_ops.TAdd'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.Squeezing'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.PhaseDamping'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.channel.PhaseFlip'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.SingleExcitationPlus'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.FockStateProjector'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.S'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.qchem_ops.DoubleExcitationMinus'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.CatState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.non_parametric_ops.Toffoli'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.cv.ThermalState'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'pennylane.ops.qubit.parametric_ops_single_qubit.RY'>: <class 'pennylane.data.attributes.operator.operator.DatasetOperator'>, <class 'scipy.sparse._bsr.bsr_array'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._coo.coo_array'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._csc.csc_array'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._csr.csr_array'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._dia.dia_array'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._dok.dok_array'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._lil.lil_array'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._csc.csc_matrix'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._csr.csr_matrix'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._bsr.bsr_matrix'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._coo.coo_matrix'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._dia.dia_matrix'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._dok.dok_matrix'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'scipy.sparse._lil.lil_matrix'>: <class 'pennylane.data.attributes.sparse_array.DatasetSparseArray'>, <class 'str'>: <class 'pennylane.data.attributes.string.DatasetString'>, <class 'tuple'>: <class 'pennylane.data.attributes.tuple.DatasetTuple'>})

Maps types to their default DatasetAttribute

type_id: ClassVar[str] = 'molecule'

consumes_types()

Returns an iterable of types for which this should be the default codec.

copy_value()

Deserializes the mapped value from bind, and also perform a ‘deep-copy’ of any nested values contained in bind.

default_value()

Returns a valid default value for this type, or UNSET if this type must be initialized with a value.

get_value()

Deserializes the mapped value from bind.

hdf5_to_value(bind)

Parses bind into Python object.

py_type(value_type)

Determines the py_type of an attribute during value initialization, if it was not provided in the info argument.

value_to_hdf5(bind_parent, key, value)

Converts value into a HDF5 Array or Group under bind_parent[key].

classmethod consumes_types()[source]

Returns an iterable of types for which this should be the default codec. If a value of one of these types is assigned to a Dataset without specifying a type_id, this type will be used.

copy_value()

Deserializes the mapped value from bind, and also perform a ‘deep-copy’ of any nested values contained in bind.

classmethod default_value()

Returns a valid default value for this type, or UNSET if this type must be initialized with a value.

get_value()

Deserializes the mapped value from bind.

hdf5_to_value(bind)[source]

Parses bind into Python object.

classmethod py_type(value_type)

Determines the py_type of an attribute during value initialization, if it was not provided in the info argument. This method returns f"{value_type.__module__}.{value_type.__name__}.

value_to_hdf5(bind_parent, key, value)[source]

Converts value into a HDF5 Array or Group under bind_parent[key].