From 78435b7a67a4c2a4fad84aee419efb74c299ab8f Mon Sep 17 00:00:00 2001
From: Wong Zi Cheng <70616433+chmwzc@users.noreply.github.com>
Date: Tue, 9 Apr 2024 04:41:27 +0000
Subject: [PATCH] Rename expectation.py to result.py

---
 src/qibochem/measurement/__init__.py                   | 2 +-
 src/qibochem/measurement/optimization.py               | 8 ++++----
 src/qibochem/measurement/{expectation.py => result.py} | 0
 tests/test_basis_rotation.py                           | 6 ++----
 tests/test_hardware_efficient.py                       | 2 +-
 tests/test_hf_circuit.py                               | 6 +++---
 tests/test_molecule.py                                 | 2 +-
 tests/test_ucc.py                                      | 2 +-
 8 files changed, 13 insertions(+), 15 deletions(-)
 rename src/qibochem/measurement/{expectation.py => result.py} (100%)

diff --git a/src/qibochem/measurement/__init__.py b/src/qibochem/measurement/__init__.py
index 661f18d..e72e669 100644
--- 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
index 7a4ab5c..ac8b432 100644
--- 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 b/src/qibochem/measurement/result.py
similarity index 100%
rename from src/qibochem/measurement/expectation.py
rename to src/qibochem/measurement/result.py
diff --git a/tests/test_basis_rotation.py b/tests/test_basis_rotation.py
index 8f4dc8a..49b1a3f 100644
--- 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
index e9ad4c7..56420e6 100644
--- 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
index bd5bbe3..d6cdab0 100644
--- 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
index 0b63ace..2fe1aed 100644
--- 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
index 56d70e1..d6d6cc7 100644
--- 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,