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General cleanup ef #133

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merged 3 commits into from
May 5, 2023
Merged

General cleanup ef #133

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9d4c178
Cleanup source code documentation
caleb-johnson May 5, 2023
2d521a7
We only deal with ESProblem, not BaseProblem
caleb-johnson May 5, 2023
09135a2
black
caleb-johnson May 5, 2023
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24 changes: 9 additions & 15 deletions circuit_knitting_toolbox/entanglement_forging/entanglement_forging_ground_state_solver.py
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Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,6 @@
from qiskit.algorithms.optimizers import SPSA, Optimizer, OptimizerResult
from qiskit.opflow import ListOp
from qiskit_nature.second_q.problems import (
BaseProblem,
ElectronicStructureProblem,
EigenstateResult,
ElectronicBasis,
Expand Down Expand Up @@ -250,16 +249,15 @@ def mo_coeff(self, mo_coeff: np.ndarray | None) -> None:

def solve(
self,
problem: BaseProblem,
) -> EigenstateResult:
problem: ElectronicStructureProblem,
) -> EntanglementForgingResult:
"""Compute Ground State properties.

Args:
- problem: a class encoding a problem to be solved.
- problem: a class encoding a problem to be solved

Returns:
- An interpreted :class:`~.EigenstateResult`. For more information see also
:meth:`~.BaseProblem.interpret`.
- A result object

Raises:
- ValueError:
Expand Down Expand Up @@ -363,19 +361,17 @@ def evaluate_eigenvalue(parameters: Sequence[float]) -> float:

def get_qubit_operators(
self,
problem: BaseProblem,
problem: ElectronicStructureProblem,
) -> ListOp:
"""Construct decomposed qubit operators from an ``ElectronicStructureProblem``.

Args:
- problem (BaseProblem): A class encoding a problem to be solved.
- problem (ElectronicStructureProblem): A class encoding a problem to be solved.

Returns:
- hamiltonian_ops: qubit operator representing the decomposed Hamiltonian.

Raises:
- ValueError:
Input problem was not an instance of ``ElectronicStructureProblem``
- ValueError:
The input problem is not in MO basis, and ``mo_coeff`` is set to ``None``
- ValueError:
Expand All @@ -391,12 +387,10 @@ def get_qubit_operators(
return hamiltonian_ops

@staticmethod
def _validate_problem_and_coeffs(problem: BaseProblem, mo_coeff: np.ndarray | None):
def _validate_problem_and_coeffs(
problem: ElectronicStructureProblem, mo_coeff: np.ndarray | None
):
"""Ensure the input problem can be translated to the MO basis."""
if not isinstance(problem, ElectronicStructureProblem):
raise TypeError(
"EntanglementForgingGroundStateSolver only supports ElectronicStructureProblem."
)
if (problem.basis != ElectronicBasis.MO) and (mo_coeff is None):
raise ValueError(
f"Cannot transform integrals to MO basis. The input problem is in the ({problem.basis}) basis, "
Expand Down
14 changes: 0 additions & 14 deletions circuit_knitting_toolbox/entanglement_forging/entanglement_forging_knitter.py
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Original file line number Diff line number Diff line change
Expand Up @@ -39,20 +39,6 @@ class EntanglementForgingKnitter:
ansatz parameters and Schmidt coefficients.
"""

# Attributes:
# - _ansatz (EntanglementForgingAnsatz): the ansatz containing the
# information for the circuit structure and bitstrings to be used
# - _backend_names (list[str]): the names of the backends to use
# - _service (QiskitRuntimeService): the service used to access backends
# - _tensor_circuits_u (list[QuantumCircuit]): the set of circuits used for the first
# operator that have the same Schmidt values
# - _superposition_circuits_u (list[QuantumCircuit]): the set of circuits used for
# the first operator that have different Schmidt values
# - _tensor_circuits_v (list[QuantumCircuit]): the set of circuits used for the second
# operator that have the same Schmidt values
# - _superposition_circuits_v (list[QuantumCircuit]): the set of circuits used for
# the second operator that have different Schmidt values

def __init__(
self,
ansatz: EntanglementForgingAnsatz,
Expand Down