Rename expectation.py to result.py

qiboteam · Apr 9, 2024 · 78435b7 · 78435b7
1 parent 814a4cc
commit 78435b7
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Showing 8 changed files with 13 additions and 15 deletions.
diff --git a/src/qibochem/measurement/__init__.py b/src/qibochem/measurement/__init__.py
@@ -1 +1 @@
-from qibochem.measurement.expectation import expectation
+from qibochem.measurement.result import expectation
diff --git a/src/qibochem/measurement/optimization.py b/src/qibochem/measurement/optimization.py
@@ -17,13 +17,13 @@ def check_terms_commutativity(term1, term2, qubitwise=False):
     """
     # Get a list of common qubits for each term
     common_qubits = sorted(
-        {_term[1] for _term in term1 if _term[0] != "I"} & {_term[1] for _term in term2 if _term[0] != "I"}
+        {_term[1:] for _term in term1 if _term[0] != "I"} & {_term[1:] for _term in term2 if _term[0] != "I"}
     )
     if not common_qubits:
         return True
     # Get the single Pauli operators for the common qubits for both Pauli terms
-    term1_ops = [_op for _op in term1 if _op[1] in common_qubits]
-    term2_ops = [_op for _op in term2 if _op[1] in common_qubits]
+    term1_ops = [_op for _op in term1 if _op[1:] in common_qubits]
+    term2_ops = [_op for _op in term2 if _op[1:] in common_qubits]
     if qubitwise:
         # Qubitwise: Compare the Pauli terms at the common qubits. Any difference => False
         return all(_op1 == _op2 for _op1, _op2 in zip(term1_ops, term2_ops))
@@ -61,7 +61,7 @@ def measurement_basis_rotations(hamiltonian, n_qubits, grouping=None):
     if z_only_terms:
         result.append(([gates.M(_i) for _i in range(n_qubits)], z_only_terms))
     else:
-        result.append(([], []))
+        result.append(([], []))  # No terms with only Z's
     # Then add the X/Y terms in
     if xy_terms:
         if grouping is None:

diff --git a/src/qibochem/measurement/expectation.py → src/qibochem/measurement/result.py b/src/qibochem/measurement/expectation.py → src/qibochem/measurement/result.py
diff --git a/tests/test_basis_rotation.py b/tests/test_basis_rotation.py
@@ -7,10 +7,8 @@
 from qibo import Circuit, gates, models
 
 from qibochem.ansatz import basis_rotation
-from qibochem.driver.molecule import Molecule
-from qibochem.measurement.expectation import expectation
-
-# from qibo.optimizers import optimize
+from qibochem.driver import Molecule
+from qibochem.measurement import expectation
 
 
 def test_unitary():

diff --git a/tests/test_hardware_efficient.py b/tests/test_hardware_efficient.py
@@ -5,7 +5,7 @@
 
 from qibochem.ansatz import he_circuit
 from qibochem.driver import Molecule
-from qibochem.measurement.expectation import expectation
+from qibochem.measurement import expectation
 
 
 def test_he_circuit():

diff --git a/tests/test_hf_circuit.py b/tests/test_hf_circuit.py
@@ -4,9 +4,9 @@
 
 import pytest
 
-from qibochem.ansatz.hf_reference import hf_circuit
-from qibochem.driver.molecule import Molecule
-from qibochem.measurement.expectation import expectation
+from qibochem.ansatz import hf_circuit
+from qibochem.driver import Molecule
+from qibochem.measurement import expectation
 
 
 @pytest.mark.parametrize(

diff --git a/tests/test_molecule.py b/tests/test_molecule.py
@@ -12,7 +12,7 @@
 from qibo.symbols import Z
 
 from qibochem.driver import Molecule
-from qibochem.measurement.expectation import expectation
+from qibochem.measurement import expectation
 
 
 @pytest.mark.parametrize(

diff --git a/tests/test_ucc.py b/tests/test_ucc.py
@@ -9,7 +9,7 @@
 from qibo import Circuit, gates, symbols
 from qibo.hamiltonians import SymbolicHamiltonian
 
-from qibochem.ansatz.hf_reference import hf_circuit
+from qibochem.ansatz import hf_circuit
 from qibochem.ansatz.ucc import (
     expi_pauli,
     generate_excitations,