estimate_resources fails for DF QPE circuit

[max-radin]

Here is a minimum working example that produces the exception I was describing at the last GSEE call. This is with pyliqtr 1.3.3.

from openfermion.chem import MolecularData
from openfermionpyscf import run_pyscf
from pyLIQTR.BlockEncodings.DoubleFactorized import DoubleFactorized
from pyLIQTR.ProblemInstances.getInstance import getInstance
from pyLIQTR.qubitization.phase_estimation import QubitizedPhaseEstimation
from pyLIQTR.utils.resource_analysis import estimate_resources

mol_data = MolecularData(
    [("H", (0.0, 0.0, 0.63164)), ("H", (0.0, 0.0, 1.76836))], "sto-3g", 1.0, 0, "H2"
)

mol = run_pyscf(
    mol_data, run_scf=1, run_mp2=0, run_cisd=0, run_ccsd=0, run_fci=0, verbose=0
)

mol_ham = mol.get_molecular_hamiltonian()
mol_instance = getInstance("ChemicalHamiltonian", mol_ham=mol_ham, mol_name="H2")

n_qubits = mol_instance.n_qubits()
print(f"Number of qubits: {n_qubits}")

encoding = DoubleFactorized(
    mol_instance,
)
circuit = QubitizedPhaseEstimation(encoding)
logical_resources = estimate_resources(circuit.circuit)

Traceback:

Traceback (most recent call last):
  File "/Users/maxradin/Development/scratch/pyliqtr_133.py", line 26, in <module>
    logical_resources = estimate_resources(circuit.circuit)
                        ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 126, in estimate_resources
    t_cliff_rot_resources = pylqt_t_complexity(circuit_element)
                            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 86, in pylqt_t_complexity
    thisComplexity = _pylqt_t_complexity_for_gate_or_op(op)
                     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/cachetools/__init__.py", line 675, in wrapper
    v = func(*args, **kwargs)
        ^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 67, in _pylqt_t_complexity_for_gate_or_op
    return _t_complexity_from_strategies(gate_or_op, strategies)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/t_complexity_protocol.py", line 204, in _t_complexity_from_strategies
    ret = strategy(stc)
          ^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/t_complexity_protocol.py", line 84, in _from_explicit_annotation
    result = estimator()
             ^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/qubitization/phase_estimation.py", line 181, in _t_complexity_
    walk_cost        =  t_complexity( QubitizedWalkOperator( self._block_encoding ))
                        ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 81, in pylqt_t_complexity
    ret = _pylqt_t_complexity_for_gate_or_op(stc)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/cachetools/__init__.py", line 675, in wrapper
    v = func(*args, **kwargs)
        ^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 67, in _pylqt_t_complexity_for_gate_or_op
    return _t_complexity_from_strategies(gate_or_op, strategies)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/t_complexity_protocol.py", line 204, in _t_complexity_from_strategies
    ret = strategy(stc)
          ^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/t_complexity_protocol.py", line 84, in _from_explicit_annotation
    result = estimator()
             ^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/qubitization/qubitized_gates.py", line 393, in _t_complexity_
    encoding_cost  =  t_complexity(self._block_encoding)
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 81, in pylqt_t_complexity
    ret = _pylqt_t_complexity_for_gate_or_op(stc)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/cachetools/__init__.py", line 675, in wrapper
    v = func(*args, **kwargs)
        ^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 67, in _pylqt_t_complexity_for_gate_or_op
    return _t_complexity_from_strategies(gate_or_op, strategies)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/t_complexity_protocol.py", line 204, in _t_complexity_from_strategies
    ret = strategy(stc)
          ^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 42, in _plyqt_from_bloq_build_call_graph
    r = pylqt_t_complexity(bloq)
        ^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 81, in pylqt_t_complexity
    ret = _pylqt_t_complexity_for_gate_or_op(stc)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/cachetools/__init__.py", line 675, in wrapper
    v = func(*args, **kwargs)
        ^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 67, in _pylqt_t_complexity_for_gate_or_op
    return _t_complexity_from_strategies(gate_or_op, strategies)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/t_complexity_protocol.py", line 204, in _t_complexity_from_strategies
    ret = strategy(stc)
          ^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 42, in _plyqt_from_bloq_build_call_graph
    r = pylqt_t_complexity(bloq)
        ^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 81, in pylqt_t_complexity
    ret = _pylqt_t_complexity_for_gate_or_op(stc)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/cachetools/__init__.py", line 675, in wrapper
    v = func(*args, **kwargs)
        ^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 67, in _pylqt_t_complexity_for_gate_or_op
    return _t_complexity_from_strategies(gate_or_op, strategies)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/t_complexity_protocol.py", line 204, in _t_complexity_from_strategies
    ret = strategy(stc)
          ^^^^^^^^^^^^^
  File "/Users/maxradin/Development/pyLIQTR/src/pyLIQTR/utils/resource_analysis.py", line 37, in _plyqt_from_bloq_build_call_graph
    callee_counts = get_bloq_callee_counts(bloq=stc, generalizer=cirq_to_bloqs)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/resource_counting/_call_graph.py", line 118, in get_bloq_callee_counts
    return _generalize_callees(bloq.build_call_graph(ssa), generalizer)
                               ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/_infra/bloq.py", line 297, in build_call_graph
    return self.decompose_bloq().build_call_graph(ssa)
           ^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/_infra/gate_with_registers.py", line 293, in decompose_bloq
    return decompose_from_cirq_style_method(self)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/_cirq_to_bloq.py", line 602, in decompose_from_cirq_style_method
    return cirq_optree_to_cbloq(
           ^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/cirq_interop/_cirq_to_bloq.py", line 537, in cirq_optree_to_cbloq
    qvars_out = bb.add_d(bloq, **qvars_in)
                ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/_infra/composite_bloq.py", line 961, in add_d
    return dict(self._add_binst(binst, in_soqs=in_soqs))
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/_infra/composite_bloq.py", line 1005, in _add_binst
    self._binsts.add(binst)
  File "<attrs generated hash qualtran._infra.quantum_graph.BloqInstance>", line 2, in __hash__
  File "<attrs generated hash qualtran._infra.controlled.Controlled>", line 2, in __hash__
  File "/Users/maxradin/anaconda3/lib/python3.11/site-packages/qualtran/_infra/controlled.py", line 204, in __hash__
    return hash((self.qdtypes, self.shapes, self._cvs_tuple))
                               ^^^^^^^^^^^
  File "/Users/maxradin/anaconda3/lib/python3.11/functools.py", line 994, in __get__
    raise TypeError(msg) from None
TypeError: No '__dict__' attribute on 'CtrlSpec' instance to cache 'shapes' property.

[kjm538]

I'll dig into this. I recently ran into a similar error so I have an idea for what the issue might be.